From 2e6c5ad2a12eccfdacac259761a1de95deafb0af Mon Sep 17 00:00:00 2001 From: Dave Goodwin Date: Tue, 3 Feb 2004 03:31:05 +0000 Subject: [PATCH] *** empty log message *** --- Cantera/Makefile.in | 6 +- Cantera/clib/src/ct.cpp | 8 +- Cantera/clib/src/ct.h | 6 +- Cantera/cxx/demos/Makefile | 2 +- Cantera/lib/README | 2 +- Cantera/python/Cantera/constants.py | 1 + Cantera/python/Cantera/ctml_writer.py | 133 +- Cantera/src/CVode.cpp | 5 + Cantera/src/CVode.h | 3 +- Cantera/src/ChemEquil.cpp | 21 - Cantera/src/ChemEquil.h | 4 +- Cantera/src/ConstDensityThermo.cpp | 16 + Cantera/src/ConstDensityThermo.h | 5 + Cantera/src/IdealGasPhase.cpp | 5 - Cantera/src/ImplicitSurfChem.cpp | 3 - Cantera/src/Integrator.h | 4 + Cantera/src/InterfaceKinetics.cpp | 84 +- Cantera/src/InterfaceKinetics.h | 9 +- Cantera/src/Kinetics.h | 5 +- Cantera/src/KineticsFactory.cpp | 11 +- Cantera/src/Makefile.in | 2 +- Cantera/src/PureFluidPhase.h | 8 +- Cantera/src/RxnRates.h | 4 +- Cantera/src/State.h | 11 +- Cantera/src/SurfPhase.cpp | 37 +- Cantera/src/SurfPhase.h | 7 +- Cantera/src/ThermoFactory.cpp | 13 +- Cantera/src/ThermoPhase.cpp | 2 +- Cantera/src/ThermoPhase.h | 8 +- Cantera/src/ct2ctml.cpp | 2 - Cantera/src/ctvector.cpp | 12 +- Cantera/src/importCTML.cpp | 67 +- Cantera/src/importCTML.h | 1 + Cantera/src/mix_defs.h | 1 + Cantera/src/reaction_defs.h | 2 + Cantera/src/xml.cpp | 42 +- Cantera/src/xml.h | 5 - INSTALLING | 20 +- config.h.in | 2 +- config/configure | 10 +- config/configure.in | 1 + configure | 19 +- data/inputs/nasa.cti | 2260 ++++++++++++------------- tools/src/Makefile.in | 2 + 44 files changed, 1575 insertions(+), 1296 deletions(-) diff --git a/Cantera/Makefile.in b/Cantera/Makefile.in index 52cd67896..338cc8988 100755 --- a/Cantera/Makefile.in +++ b/Cantera/Makefile.in @@ -26,7 +26,7 @@ endif clean: cd src; @MAKE@ clean - cd cxx; @MAKE@ clean + cd cxx/src; @MAKE@ clean cd clib/src; @MAKE@ clean cd python; @MAKE@ clean ifeq ($(build_f90),1) @@ -38,7 +38,7 @@ endif depends: cd src; @MAKE@ depends - cd cxx; @MAKE@ depends + cd cxx/src; @MAKE@ depends cd clib/src; @MAKE@ depends ifeq ($(build_f90),1) cd fortran/src; @MAKE@ depends @@ -49,7 +49,7 @@ endif install: cd src; @MAKE@ install - cd cxx; @MAKE@ install + cd cxx/src; @MAKE@ install cd clib/src; @MAKE@ install ifeq ($(build_f90),1) cd fortran/src; @MAKE@ install diff --git a/Cantera/clib/src/ct.cpp b/Cantera/clib/src/ct.cpp index ff579b706..f7e46e500 100755 --- a/Cantera/clib/src/ct.cpp +++ b/Cantera/clib/src/ct.cpp @@ -31,6 +31,8 @@ inline XML_Node* _xml(int i) { return Cabinet::cabinet(false)->item(i); } + +#ifdef INCL_PURE_FLUID static PureFluid* purefluid(int n) { ThermoPhase* tp = th(n); if (tp->eosType() == cPureFluid) { @@ -40,6 +42,11 @@ static PureFluid* purefluid(int n) { throw CanteraError("purefluid","object is not a PureFluid object"); } } +#else +static ThermoPhase* purefluid(int n) { + return th(n); +} +#endif inline int nThermo() { return Storage::storage()->nThermo(); @@ -528,7 +535,6 @@ extern "C" { purefluid(n)->setState_satVapor(); return 0; } - //-------------- Kinetics ------------------// diff --git a/Cantera/clib/src/ct.h b/Cantera/clib/src/ct.h index fb20ff3ac..b9fcc2f17 100755 --- a/Cantera/clib/src/ct.h +++ b/Cantera/clib/src/ct.h @@ -76,6 +76,7 @@ extern "C" { int DLL_IMPORT th_set_SP(int n, double* vals); int DLL_IMPORT th_equil(int n, int XY); +#ifdef INCL_PURE_FLUIDS double DLL_IMPORT th_critTemperature(int n); double DLL_IMPORT th_critPressure(int n); double DLL_IMPORT th_critDensity(int n); @@ -83,8 +84,9 @@ extern "C" { double DLL_IMPORT th_satTemperature(int n, double p); double DLL_IMPORT th_satPressure(int n, double t); int DLL_IMPORT th_setState_satLiquid(int n); - int DLL_IMPORT th_setState_satVapor(int n); - + int DLL_IMPORT th_setState_satVapor(int n); +#endif + int DLL_IMPORT newKineticsFromXML(int mxml, int iphase, int neighbor1=-1, int neighbor2=-1, int neighbor3=-1, int neighbor4=-1); diff --git a/Cantera/cxx/demos/Makefile b/Cantera/cxx/demos/Makefile index 3a5324bf1..45cb5eac6 100644 --- a/Cantera/cxx/demos/Makefile +++ b/Cantera/cxx/demos/Makefile @@ -5,7 +5,7 @@ # if script ctnew is not on the PATH, set this to the path to it. CTNEW = ctnew -SRCS = kinetics1.cpp +SRCS = kinetics1.cpp kinetics2.cpp flame1.cpp OBJS = $(SRCS:.cpp=.o) EXES = $(SRCS:.cpp=.x) diff --git a/Cantera/lib/README b/Cantera/lib/README index 433f3a24e..0a45f28ba 100755 --- a/Cantera/lib/README +++ b/Cantera/lib/README @@ -1,3 +1,3 @@ -Library files. +This directory is no longer used, and will be removed in a future release. diff --git a/Cantera/python/Cantera/constants.py b/Cantera/python/Cantera/constants.py index 762fe6bc8..7af25352f 100755 --- a/Cantera/python/Cantera/constants.py +++ b/Cantera/python/Cantera/constants.py @@ -12,3 +12,4 @@ StefanBoltz = 5.67e-8 ElectronCharge = 1.602e-19 Pi = 3.1415926 Faraday = ElectronCharge * Avogadro +Planck = 6.6262e-34 diff --git a/Cantera/python/Cantera/ctml_writer.py b/Cantera/python/Cantera/ctml_writer.py index a2ed1c463..d169acae2 100644 --- a/Cantera/python/Cantera/ctml_writer.py +++ b/Cantera/python/Cantera/ctml_writer.py @@ -574,6 +574,9 @@ class reaction(writer): if self._type == 'surface': mdim += -1 ldim += 2 + elif self._type == 'edge': + mdim += -1 + ldim += 1 else: mdim += -1 ldim += 3 @@ -591,7 +594,9 @@ class reaction(writer): if self._type == '': self._kf = [self._kf] elif self._type == 'surface': - self._kf = [self._kf] + self._kf = [self._kf] + elif self._type == 'edge': + self._kf = [self._kf] elif self._type == 'threeBody': self._kf = [self._kf] mdim += 1 @@ -735,6 +740,18 @@ class surface_reaction(reaction): self._type = 'surface' +class edge_reaction(reaction): + + def __init__(self, + equation = '', + kf = None, + id = '', + order = '', + options = []): + reaction.__init__(self, equation, kf, id, order, options) + self._type = 'edge' + + #-------------- @@ -995,7 +1012,6 @@ class pure_solid(phase): self._pure = 1 if self._dens < 0.0: raise 'density must be specified.' - self._pure = 0 self._tr = transport def conc_dim(self): @@ -1013,6 +1029,74 @@ class pure_solid(phase): k['model'] = 'none' +class metal(phase): + """A metal.""" + def __init__(self, + name = '', + elements = '', + species = '', + density = -1.0, + transport = 'None', + initial_state = None, + options = []): + + phase.__init__(self, name, 3, elements, species, 'none', + initial_state, options) + self._dens = density + self._pure = 0 + #if self._dens < 0.0: + # raise 'density must be specified.' + self._tr = transport + + def conc_dim(self): + return (0,0) + + def build(self, p): + ph = phase.build(self, p) + e = ph.addChild("thermo") + e['model'] = 'Metal' + addFloat(e, 'density', self._dens, defunits = _umass+'/'+_ulen+'3') + if self._tr: + t = ph.addChild('transport') + t['model'] = self._tr + k = ph.addChild("kinetics") + k['model'] = 'none' + + +class incompressible_solid(phase): + """An incompressible solid.""" + def __init__(self, + name = '', + elements = '', + species = '', + density = -1.0, + transport = 'None', + initial_state = None, + options = []): + + phase.__init__(self, name, 3, elements, species, 'none', + initial_state, options) + self._dens = density + self._pure = 0 + if self._dens < 0.0: + raise 'density must be specified.' + self._tr = transport + + def conc_dim(self): + return (1,-3) + + def build(self, p): + ph = phase.build(self, p) + e = ph.addChild("thermo") + e['model'] = 'Incompressible' + addFloat(e, 'density', self._dens, defunits = _umass+'/'+_ulen+'3') + if self._tr: + t = ph.addChild('transport') + t['model'] = self._tr + k = ph.addChild("kinetics") + k['model'] = 'none' + + class pure_fluid(phase): """A pure fluid.""" def __init__(self, @@ -1078,6 +1162,45 @@ class ideal_interface(phase): def conc_dim(self): return (1, -2) + +class edge(phase): + """A 1D boundary between two surface phases.""" + def __init__(self, + name = '', + elements = '', + species = '', + reactions = 'none', + site_density = 0.0, + phases = [], + kinetics = 'Edge', + transport = 'None', + initial_state = None, + options = []): + + self._type = 'edge' + phase.__init__(self, name, 2, elements, species, reactions, + initial_state, options) + self._pure = 0 + self._kin = kinetics + self._tr = transport + self._phases = phases + self._sitedens = site_density + + def build(self, p): + ph = phase.build(self, p) + e = ph.addChild("thermo") + e['model'] = 'Edge' + addFloat(e, 'site_density', self._sitedens, defunits = _umol+'/'+_ulen+'2') + k = ph.addChild("kinetics") + k['model'] = self._kin + t = ph.addChild('transport') + t['model'] = self._tr + p = ph.addChild('phaseArray',self._phases) + + + def conc_dim(self): + return (1, -1) + #------------------ equations of state -------------------------- @@ -1185,6 +1308,7 @@ class SRI: f = p.addChild('falloff', s) f['type'] = 'SRI' + class Lindemann: def __init__(self): pass @@ -1240,7 +1364,10 @@ if __name__ == "__main__": # $Revision$ # $Date$ # $Log$ -# Revision 1.25 2003-11-24 16:39:33 dggoodwin +# Revision 1.26 2004-02-03 03:31:06 dggoodwin +# *** empty log message *** +# +# Revision 1.25 2003/11/24 16:39:33 dggoodwin # - # # Revision 1.24 2003/11/13 12:29:45 dggoodwin diff --git a/Cantera/src/CVode.cpp b/Cantera/src/CVode.cpp index 5dd1926c6..e15a1d74a 100755 --- a/Cantera/src/CVode.cpp +++ b/Cantera/src/CVode.cpp @@ -157,6 +157,11 @@ namespace Cantera { m_ropt[HMAX] = hmax; } + void CVodeInt::setMinStep(doublereal hmin) { + m_hmin = hmin; + m_ropt[HMIN] = hmin; + } + void CVodeInt::setIterator(IterType t) { if (t == Newton_Iter) m_iter = NEWTON; diff --git a/Cantera/src/CVode.h b/Cantera/src/CVode.h index a1eed0145..9c6f35b31 100755 --- a/Cantera/src/CVode.h +++ b/Cantera/src/CVode.h @@ -63,6 +63,7 @@ namespace Cantera { virtual void setMethod(MethodType t); virtual void setIterator(IterType t); virtual void setMaxStep(double hmax); + virtual void setMinStep(double hmin); private: @@ -78,7 +79,7 @@ namespace Cantera { double m_reltol; double m_abstols; int m_nabs; - double m_hmax; + double m_hmax, m_hmin; vector_fp m_ropt; long int* m_iopt; diff --git a/Cantera/src/ChemEquil.cpp b/Cantera/src/ChemEquil.cpp index 09412dcd4..76fff71e8 100755 --- a/Cantera/src/ChemEquil.cpp +++ b/Cantera/src/ChemEquil.cpp @@ -114,22 +114,6 @@ namespace Cantera { } } m_eloc = mneg; -// nneg = 0.0; -// if (nneg > 0) { -// for (k = 0; k < m_kk; k++) { -// m_comp[k*m_mm + mneg] = m_phase->nAtoms(k,mneg); -// for (m = 0; m < m_mm; m++) { -// if (m != mneg) { -// m_comp[k*m_mm + m] = m_phase->nAtoms(k,m); -// m_comp[k*m_mm + mneg] += m_phase->nAtoms(k,m)*(nneg + 1); -// } -// } -// cout << m_phase->speciesName(k) << " "; -// for (m = 0; m < m_mm; m++) cout << m_comp[k*m_mm + m] << " "; -// cout << endl; -// } -// } -// else { for (k = 0; k < m_kk; k++) { for (m = 0; m < m_mm; m++) { m_comp[k*m_mm + m] = m_phase->nAtoms(k,m); @@ -177,16 +161,12 @@ namespace Cantera { m_elementmolefracs[m] = 0.0; for (k = 0; k < m_kk; k++) { m_elementmolefracs[m] += nAtoms(k,m) * m_molefractions[k]; - //if (nAtoms(k,m) < 0.0) { - // throw CanteraError("update","negative nAtoms"); - //} if (m_molefractions[k] < 0.0) { throw CanteraError("update", "negative mole fraction for "+m_phase->speciesName(k)+ ": "+fp2str(m_molefractions[k])); } } - //cout << "update: " << m << " " << m_elementmolefracs[m] << endl; sum += m_elementmolefracs[m]; } @@ -261,7 +241,6 @@ namespace Cantera { for (int k = 0; k < kksp; k++) { if (ip == ksp) { m_molefractions[k] = aa(n+1, 0); - //cout << "initial " << m_phase->speciesName(k) << " " << m_molefractions[k] << endl; } ksp++; } diff --git a/Cantera/src/ChemEquil.h b/Cantera/src/ChemEquil.h index 35423d4e9..fe72c7c3a 100755 --- a/Cantera/src/ChemEquil.h +++ b/Cantera/src/ChemEquil.h @@ -21,7 +21,6 @@ #include "vec_functions.h" #include "ctexceptions.h" #include "ThermoPhase.h" -#include "PropertyCalculator.h" #include "DenseMatrix.h" namespace Cantera { @@ -61,7 +60,8 @@ namespace Cantera { bool contin; }; - + template + class PropertyCalculator; /** * Chemical equilibrium processor. Sets a mixture to a state of diff --git a/Cantera/src/ConstDensityThermo.cpp b/Cantera/src/ConstDensityThermo.cpp index 2712b9d07..b817734b5 100755 --- a/Cantera/src/ConstDensityThermo.cpp +++ b/Cantera/src/ConstDensityThermo.cpp @@ -16,6 +16,18 @@ namespace Cantera { + void ConstDensityThermo::getActivityConcentrations(doublereal* c) const { + getConcentrations(c); + } + + doublereal ConstDensityThermo::standardConcentration(int k) const { + return molarDensity(); + } + + doublereal ConstDensityThermo::logStandardConc(int k) const { + return log(molarDensity()); + } + void ConstDensityThermo::getChemPotentials(doublereal* mu) const { doublereal vdp = (pressure() - m_spthermo->refPressure())/ molarDensity(); @@ -28,6 +40,10 @@ namespace Cantera { } } + void ConstDensityThermo::getStandardChemPotentials(doublereal* mu0) const { + getPureGibbs(mu0); + } + void ConstDensityThermo::initThermo() { m_kk = nSpecies(); m_mm = nElements(); diff --git a/Cantera/src/ConstDensityThermo.h b/Cantera/src/ConstDensityThermo.h index 846687310..7b1ca82c3 100755 --- a/Cantera/src/ConstDensityThermo.h +++ b/Cantera/src/ConstDensityThermo.h @@ -75,7 +75,12 @@ namespace Cantera { m_press = p; } + virtual void getActivityConcentrations(doublereal* c) const; + virtual void getChemPotentials(doublereal* mu) const; + virtual void getStandardChemPotentials(doublereal* mu0) const; + virtual doublereal standardConcentration(int k=0) const; + virtual doublereal logStandardConc(int k=0) const; // virtual void getPartialMolarEnthalpies(doublereal* hbar) const { // const array_fp& _h = enthalpy_RT(); diff --git a/Cantera/src/IdealGasPhase.cpp b/Cantera/src/IdealGasPhase.cpp index 430a895af..49e542920 100644 --- a/Cantera/src/IdealGasPhase.cpp +++ b/Cantera/src/IdealGasPhase.cpp @@ -63,7 +63,6 @@ namespace Cantera { m_pp[k] = -grt[k] + mu_RT[k]; m_pp[k] = m_p0 * exp(m_pp[k]); pres += m_pp[k]; - //cout <<"setToEquil: " << k << " " << grt[k] << " " << mu_RT[k] << endl; } // set state setState_PX(pres, m_pp.begin()); @@ -76,12 +75,8 @@ namespace Cantera { m_spthermo->update(tnow, m_cp0_R.begin(), m_h0_RT.begin(), m_s0_R.begin()); m_tlast = tnow; - // doublereal rrt = 1.0 / (GasConstant * tnow); int k; - //doublereal deltaE; for (k = 0; k < m_kk; k++) { - //deltaE = rrt * m_pe[k]; - //m_h0_RT[k] += deltaE; m_g0_RT[k] = m_h0_RT[k] - m_s0_R[k]; } m_logc0 = log(m_p0/(GasConstant * tnow)); diff --git a/Cantera/src/ImplicitSurfChem.cpp b/Cantera/src/ImplicitSurfChem.cpp index d0363e784..fca1b8046 100755 --- a/Cantera/src/ImplicitSurfChem.cpp +++ b/Cantera/src/ImplicitSurfChem.cpp @@ -63,8 +63,6 @@ namespace Cantera { if (nt > ntmax) ntmax = nt; } m_integ = new CVodeInt; - //m_surfindex = kin.surfacePhaseIndex(); - //m_surf = (SurfPhase*)&kin.thermo(m_surfindex);; // use backward differencing, with a full Jacobian computed // numerically, and use a Newton linear iterator @@ -72,7 +70,6 @@ namespace Cantera { m_integ->setMethod(BDF_Method); m_integ->setProblemType(DENSE + NOJAC); m_integ->setIterator(Newton_Iter); - //m_nsp = m_surf->nSpecies(); m_work.resize(ntmax); } diff --git a/Cantera/src/Integrator.h b/Cantera/src/Integrator.h index 823954160..4cbb75ae6 100755 --- a/Cantera/src/Integrator.h +++ b/Cantera/src/Integrator.h @@ -149,6 +149,10 @@ namespace Cantera { virtual void setMaxStep(double hmax) { warn("setMaxStep"); } + /** Set the minimum step size */ + virtual void setMinStep(double hmin) + { warn("setMinStep"); } + private: doublereal m_dummy; diff --git a/Cantera/src/InterfaceKinetics.cpp b/Cantera/src/InterfaceKinetics.cpp index f82181106..01e440d11 100644 --- a/Cantera/src/InterfaceKinetics.cpp +++ b/Cantera/src/InterfaceKinetics.cpp @@ -108,10 +108,11 @@ namespace Cantera { * First evaluate the coverage-dependent terms in the reaction * rates. */ - m_surf->getCoverages(m_conc.begin()); - m_rates.update_C(m_conc.begin()); - m_rates.update(m_kdata->m_temp, - m_kdata->m_logtemp, m_kdata->m_rfn.begin()); + // UNCOMMENT and fix + //m_surf->getCoverages(m_conc.begin()); + //m_rates.update_C(m_conc.begin()); + //m_rates.update(m_kdata->m_temp, + // m_kdata->m_logtemp, m_kdata->m_rfn.begin()); int np = nPhases(); for (n = 0; n < np; n++) { @@ -136,9 +137,11 @@ namespace Cantera { */ void InterfaceKinetics::updateKc() { int i, irxn; + vector_fp& m_rkc = m_kdata->m_rkcn; fill(m_rkc.begin(), m_rkc.end(), 0.0); + static vector_fp mu(nTotalSpecies()); if (m_nrev > 0) { int n, nsp, k, ik=0; @@ -161,6 +164,9 @@ namespace Cantera { for (i = 0; i < m_nrev; i++) { irxn = m_revindex[i]; + if (irxn < 0 || irxn >= nReactions()) { + throw CanteraError("InterfaceKinetics","illegal value: irxn = "+int2str(irxn)); + } m_rkc[irxn] = exp(m_rkc[irxn]*rrt); } for (i = 0; i != m_nirrev; ++i) { @@ -170,6 +176,38 @@ namespace Cantera { } + void InterfaceKinetics::checkPartialEquil() { + int i, irxn; + vector_fp dmu(nTotalSpecies(), 0.0); + vector_fp rmu(nReactions(), 0.0); + if (m_nrev > 0) { + + int n, nsp, k, ik=0; + doublereal rt = GasConstant*thermo(0).temperature(); + doublereal rrt = 1.0/rt; + int np = nPhases(); + for (n = 0; n < np; n++) { + thermo(n).getChemPotentials(dmu.begin() + m_start[n]); + nsp = thermo(n).nSpecies(); + for (k = 0; k < nsp; k++) { + dmu[ik] += Faraday * m_phi[n] * thermo(n).charge(k); + cout << thermo(n).speciesName(k) << " " << dmu[ik] << endl; + ik++; + } + } + + // compute Delta mu^ for all reversible reactions + m_reactantStoich.decrementReactions(dmu.begin(), rmu.begin()); + m_revProductStoich.incrementReactions(dmu.begin(), rmu.begin()); + + for (i = 0; i < m_nrev; i++) { + irxn = m_revindex[i]; + cout << "Reaction " << reactionString(irxn) << " " << rmu[irxn] << endl; + } + } + } + + /** * Get the equilibrium constants of all reactions, whether * reversible or not. @@ -249,6 +287,40 @@ namespace Cantera { } + + + /** + * Update the rates of progress of the reactions in the reaciton + * mechanism. This routine operates on internal data. + */ + void InterfaceKinetics::getFwdRateConstants(doublereal* kfwd) { + + _update_rates_T(); + _update_rates_C(); + + const vector_fp& rf = m_kdata->m_rfn; + + // copy rate coefficients into kfwd + copy(rf.begin(), rf.end(), kfwd); + + // multiply by perturbation factor + multiply_each(kfwd, kfwd + nReactions(), m_perturb.begin()); + + } + + + /** + * Update the rates of progress of the reactions in the reaciton + * mechanism. This routine operates on internal data. + */ + void InterfaceKinetics::getRevRateConstants(doublereal* krev) { + getFwdRateConstants(krev); + const vector_fp& rkc = m_kdata->m_rkcn; + multiply_each(krev, krev + nReactions(), rkc.begin()); + } + + + /** * Update the rates of progress of the reactions in the reaciton * mechanism. This routine operates on internal data. @@ -427,13 +499,11 @@ namespace Cantera { if (r.reversible) { m_revProductStoich.add(reactionNumber(), pk); - //m_dn.push_back(pk.size() - rk.size()); m_revindex.push_back(reactionNumber()); m_nrev++; } else { m_irrevProductStoich.add(reactionNumber(), pk); - //m_dn.push_back(pk.size() - rk.size()); m_irrev.push_back( reactionNumber() ); m_nirrev++; } @@ -502,6 +572,8 @@ namespace Cantera { m_integrator->initialize(); } m_integrator->integrate(0.0, tstep); + delete m_integrator; + m_integrator = 0; } } diff --git a/Cantera/src/InterfaceKinetics.h b/Cantera/src/InterfaceKinetics.h index 9145d67f8..4b4a974d4 100644 --- a/Cantera/src/InterfaceKinetics.h +++ b/Cantera/src/InterfaceKinetics.h @@ -258,6 +258,10 @@ namespace Cantera { return m_rxneqn[i]; } + + virtual void getFwdRateConstants(doublereal* kfwd); + virtual void getRevRateConstants(doublereal* krev); + //@} /** * @name Reaction Mechanism Construction @@ -301,7 +305,7 @@ namespace Cantera { void _update_rates_C(); void advanceCoverages(doublereal tstep); - + void checkPartialEquil(); protected: /** @@ -309,6 +313,7 @@ namespace Cantera { * that participate in the kinetics mechanism. */ int m_kk; + vector_int m_revindex; Rate1 m_rates; //Rate1 m_rates; @@ -346,7 +351,7 @@ namespace Cantera { mutable vector > m_rrxn; mutable vector > m_prxn; - vector_int m_revindex; + vector m_rxneqn; /** diff --git a/Cantera/src/Kinetics.h b/Cantera/src/Kinetics.h index 7aef24385..5696cb769 100755 --- a/Cantera/src/Kinetics.h +++ b/Cantera/src/Kinetics.h @@ -557,7 +557,10 @@ namespace Cantera { m_start.push_back(0); } // there should only be one surface phase - if (thermo.eosType() == cSurf) { + int ptype = -100; + if (type() == cEdgeKinetics) ptype = cEdge; + else if (type() == cInterfaceKinetics) ptype = cSurf; + if (thermo.eosType() == ptype) { if (m_surfphase >= 0) { throw CanteraError("Kinetics::addPhase", "cannot add more than one surface phase"); diff --git a/Cantera/src/KineticsFactory.cpp b/Cantera/src/KineticsFactory.cpp index feb18fcb0..0d36aaa1d 100644 --- a/Cantera/src/KineticsFactory.cpp +++ b/Cantera/src/KineticsFactory.cpp @@ -20,15 +20,16 @@ #include "GasKinetics.h" #include "GRI_30_Kinetics.h" #include "InterfaceKinetics.h" +#include "EdgeKinetics.h" #include "importCTML.h" namespace Cantera { KineticsFactory* KineticsFactory::__factory = 0; - static int ntypes = 4; - static string _types[] = {"none", "GasKinetics", "GRI30", "Interface"}; - static int _itypes[] = {0, cGasKinetics, cGRI30, cInterfaceKinetics}; + static int ntypes = 5; + static string _types[] = {"none", "GasKinetics", "GRI30", "Interface", "Edge"}; + static int _itypes[] = {0, cGasKinetics, cGRI30, cInterfaceKinetics, cEdgeKinetics}; /** * Return a new kinetics manager that implements a reaction @@ -96,6 +97,10 @@ namespace Cantera { k = new InterfaceKinetics; break; + case cEdgeKinetics: + k = new EdgeKinetics; + break; + default: throw UnknownKineticsModel("KineticsFactory::newKinetics", kintype); diff --git a/Cantera/src/Makefile.in b/Cantera/src/Makefile.in index 7731410e9..82a3252a5 100755 --- a/Cantera/src/Makefile.in +++ b/Cantera/src/Makefile.in @@ -33,7 +33,7 @@ KINETICS = GRI_30_Kinetics.o KineticsFactory.o GasKinetics.o FalloffFactory.o ReactionStoichMgr.o $(THERMO) # heterogeneous kinetics -HETEROKIN = InterfaceKinetics.o ImplicitSurfChem.o SurfPhase.o $(THERMO) +HETEROKIN = InterfaceKinetics.o ImplicitSurfChem.o SurfPhase.o EdgeKinetics.o $(THERMO) # support for importing from Chemkin-compatible reaction mechanisms CK = $(KINETICS) diff --git a/Cantera/src/PureFluidPhase.h b/Cantera/src/PureFluidPhase.h index 662501c1d..b156b9384 100644 --- a/Cantera/src/PureFluidPhase.h +++ b/Cantera/src/PureFluidPhase.h @@ -4,12 +4,15 @@ * Declares class PureFluid */ -// Copyright 2001 California Institute of Technology +// Copyright 2003 California Institute of Technology #ifndef CT_EOS_TPX_H #define CT_EOS_TPX_H #include "ThermoPhase.h" + +#ifdef INCL_PURE_FLUIDS + #include "../../ext/tpx/Sub.h" #include "../../ext/tpx/utils.h" @@ -214,7 +217,8 @@ private: }; } - + +#endif #endif diff --git a/Cantera/src/RxnRates.h b/Cantera/src/RxnRates.h index 9ea8295d9..e4418e4a7 100755 --- a/Cantera/src/RxnRates.h +++ b/Cantera/src/RxnRates.h @@ -105,7 +105,9 @@ namespace Cantera { } for (n = 0; n < m_nmcov; n++) { k = m_msp[n]; - th = fmaxx(theta[n], Tiny); + // changed n to k, dgg 1/22/04 + th = fmaxx(theta[k], Tiny); + // th = fmaxx(theta[n], Tiny); m_mcov += m_mc[n]*log(th); } } diff --git a/Cantera/src/State.h b/Cantera/src/State.h index 332f80548..9d13956aa 100755 --- a/Cantera/src/State.h +++ b/Cantera/src/State.h @@ -26,12 +26,11 @@ namespace Cantera { /** * Manages the thermodynamic state. Class State manages the - * thermodynamic state of a multi-species solution. It - * holds values for the temperature, mass density, and mean - * molecular weight, and a vector of species mass - * fractions. For efficiency in mass/mole conversion, the vector - * of mass fractions divided by molecular weight \f$ Y_k/M_k \f$ - * is also stored. + * thermodynamic state of a multi-species solution. It holds + * values for the temperature, mass density, and mean molecular + * weight, and a vector of species mass fractions. For efficiency + * in mass/mole conversion, the vector of mass fractions divided + * by molecular weight \f$ Y_k/M_k \f$ is also stored. * * Class State is not usually used directly in application * programs. Its primary use is as a base class for class Phase. diff --git a/Cantera/src/SurfPhase.cpp b/Cantera/src/SurfPhase.cpp index dfd02fcb6..65bfbb4fd 100644 --- a/Cantera/src/SurfPhase.cpp +++ b/Cantera/src/SurfPhase.cpp @@ -13,10 +13,7 @@ #endif #include "SurfPhase.h" - -//#include "ReactionData.h" -//#include "StoichManager.h" -//#include "RateCoeffMgr.h" +#include "EdgePhase.h" #include using namespace std; @@ -68,6 +65,17 @@ namespace Cantera { copy(m_mu0.begin(), m_mu0.end(), mu0); } + void SurfPhase:: + getChemPotentials(doublereal* mu) const { + _updateThermo(); + copy(m_mu0.begin(), m_mu0.end(), mu); + int k; + getActivityConcentrations(m_work.begin()); + for (k = 0; k < m_kk; k++) { + mu[k] += GasConstant * temperature() * (log(m_work[k]) - logStandardConc(k)); + } + } + void SurfPhase:: getActivityConcentrations(doublereal* c) const { getConcentrations(c); @@ -141,8 +149,23 @@ namespace Cantera { */ void SurfPhase:: setCoverages(const doublereal* theta) { + double sum = 0.0; + for (int k = 0; k < m_kk; k++) sum += theta[k]; + for (int k = 0; k < m_kk; k++) { - m_work[k] = m_n0*theta[k]/size(k); + m_work[k] = m_n0*theta[k]/(sum*size(k)); + } + /* + * Call the State:: class function + * setConcentrations. + */ + setConcentrations(m_work.begin()); + } + + void SurfPhase:: + setCoveragesNoNorm(const doublereal* theta) { + for (int k = 0; k < m_kk; k++) { + m_work[k] = m_n0*theta[k]/(size(k)); } /* * Call the State:: class function @@ -200,4 +223,8 @@ namespace Cantera { } } + EdgePhase::EdgePhase(doublereal n0) : SurfPhase(n0) { + setNDim(1); + } + } diff --git a/Cantera/src/SurfPhase.h b/Cantera/src/SurfPhase.h index 7e7e006c5..a2e9da9f6 100644 --- a/Cantera/src/SurfPhase.h +++ b/Cantera/src/SurfPhase.h @@ -16,11 +16,8 @@ #ifndef CT_SURFPHASE_H #define CT_SURFPHASE_H -//#include "ct_defs.h" #include "mix_defs.h" #include "ThermoPhase.h" -//#include "ctvector.h" -//#include namespace Cantera { @@ -43,6 +40,7 @@ namespace Cantera { virtual doublereal enthalpy_mole() const; virtual doublereal intEnergy_mole() const; virtual void getStandardChemPotentials(doublereal* mu0) const; + virtual void getChemPotentials(doublereal* mu) const; virtual void getActivityConcentrations(doublereal* c) const; virtual doublereal standardConcentration(int k = 0) const; virtual doublereal logStandardConc(int k=0) const; @@ -52,7 +50,7 @@ namespace Cantera { void setPotentialEnergy(int k, doublereal pe); doublereal potentialEnergy(int k) {return m_pe[k];} void setSiteDensity(doublereal n0); - void setElectricPotential(doublereal V); + //void setElectricPotential(doublereal V); /** * Pressure. Units: Pa. @@ -82,6 +80,7 @@ namespace Cantera { * This is a dimensionless quantity. */ void setCoverages(const doublereal* theta); + void setCoveragesNoNorm(const doublereal* theta); void setCoveragesByName(string cov); void getCoverages(doublereal* theta) const; diff --git a/Cantera/src/ThermoFactory.cpp b/Cantera/src/ThermoFactory.cpp index a37a5eebb..ef64f25f5 100644 --- a/Cantera/src/ThermoFactory.cpp +++ b/Cantera/src/ThermoFactory.cpp @@ -22,6 +22,7 @@ #include "PureFluidPhase.h" #include "ConstDensityThermo.h" #include "SurfPhase.h" +#include "EdgePhase.h" #include "MetalPhase.h" #include "SolidCompound.h" #include "importCTML.h" @@ -30,13 +31,13 @@ namespace Cantera { ThermoFactory* ThermoFactory::__factory = 0; - static int ntypes = 6; + static int ntypes = 7; static string _types[] = {"IdealGas", "Incompressible", - "Surface", "Metal", "SolidCompound", + "Surface", "Edge", "Metal", "SolidCompound", "PureFluid"}; static int _itypes[] = {cIdealGas, cIncompressible, - cSurf, cMetal, cSolidCompound, + cSurf, cEdge, cMetal, cSolidCompound, cPureFluid}; ThermoPhase* ThermoFactory::newThermoPhase(string model) { @@ -63,6 +64,10 @@ namespace Cantera { th = new SurfPhase; break; + case cEdge: + th = new EdgePhase; + break; + case cMetal: th = new MetalPhase; break; @@ -71,9 +76,11 @@ namespace Cantera { th = new SolidCompound; break; +#ifdef INCL_PURE_FLUIDS case cPureFluid: th = new PureFluid; break; +#endif default: throw UnknownThermoPhaseModel("ThermoFactory::newThermoPhase", diff --git a/Cantera/src/ThermoPhase.cpp b/Cantera/src/ThermoPhase.cpp index eae1971d2..811849aab 100644 --- a/Cantera/src/ThermoPhase.cpp +++ b/Cantera/src/ThermoPhase.cpp @@ -151,7 +151,7 @@ namespace Cantera { doublereal ThermoPhase::err(string msg) const { throw CanteraError("ThermoPhase","Base class method " - +msg+" called."); + +msg+" called. Equation of state type: "+int2str(eosType())); return 0; } diff --git a/Cantera/src/ThermoPhase.h b/Cantera/src/ThermoPhase.h index 9a6d70523..6dbcfbb1c 100755 --- a/Cantera/src/ThermoPhase.h +++ b/Cantera/src/ThermoPhase.h @@ -24,7 +24,6 @@ namespace Cantera { class XML_Node; - /** * @defgroup thermoprops Thermodynamic Properties * @@ -100,9 +99,11 @@ namespace Cantera { const XML_Node* speciesData() { if (m_speciesData) return m_speciesData; - else + else { throw CanteraError("ThermoPhase::speciesData", "m_speciesData is NULL"); + return 0; + } } @@ -186,6 +187,7 @@ namespace Cantera { return err("cv_mole"); } + /** * @} * @name Mechanical Properties @@ -607,7 +609,7 @@ namespace Cantera { virtual void setState_satVapor() { err("setState_satVapor"); } - + /** * @internal Install a species thermodynamic property * manager. The species thermodynamic property manager diff --git a/Cantera/src/ct2ctml.cpp b/Cantera/src/ct2ctml.cpp index 7282bd580..43be6a4c0 100644 --- a/Cantera/src/ct2ctml.cpp +++ b/Cantera/src/ct2ctml.cpp @@ -169,8 +169,6 @@ namespace ctml { else { ff = inname; } - // rootPtr = &get_XML_File(ff)->child("ctml"); - // rootPtr->write(cout); ifstream fin(ff.c_str()); rootPtr->build(fin); fin.close(); diff --git a/Cantera/src/ctvector.cpp b/Cantera/src/ctvector.cpp index e1eacfa34..a8f1be352 100755 --- a/Cantera/src/ctvector.cpp +++ b/Cantera/src/ctvector.cpp @@ -39,12 +39,14 @@ using namespace ct; namespace ct { ctvector_fp::ctvector_fp(size_t n) : _size(0), _alloc(0), _data(0) { - if (n > 0) resize(n); + // if (n > 0) + resize(n); } ctvector_fp::ctvector_fp(size_t n, value_type v0) : _size(0), _alloc(0), _data(0) { - if (n > 0) resize(n, v0); + //if (n > 0) + resize(n, v0); } ctvector_fp::ctvector_fp(const ctvector_fp& x) { @@ -125,12 +127,14 @@ namespace ct { ctvector_int::ctvector_int(size_t n) : _size(0), _alloc(0), _data(0) { - if (n > 0) resize(n); + // if (n > 0) + resize(n); } ctvector_int::ctvector_int(size_t n, value_type v0) : _size(0), _alloc(0), _data(0) { - if (n > 0) resize(n, v0); + //if (n > 0) + resize(n, v0); } ctvector_int::ctvector_int(const ctvector_int& x) { diff --git a/Cantera/src/importCTML.cpp b/Cantera/src/importCTML.cpp index 0e2fbed86..701f29ebf 100755 --- a/Cantera/src/importCTML.cpp +++ b/Cantera/src/importCTML.cpp @@ -28,6 +28,7 @@ #include "speciesThermoTypes.h" #include "ThermoPhase.h" #include "SurfPhase.h" +#include "EdgePhase.h" #include "ThermoFactory.h" #include "SpeciesThermoFactory.h" #include "KineticsFactory.h" @@ -531,7 +532,7 @@ namespace Cantera { // from concentration units used in the law of mass action // to coverages used in the sticking probability // expression - if (p.eosType() == cSurf) { + if (p.eosType() == cSurf || p.eosType() == cEdge) { f /= pow(p.standardConcentration(klocal), order); } // otherwise, increment the counter of bulk species @@ -702,6 +703,15 @@ namespace Cantera { return t; } + ThermoPhase* newPhase(string infile, string id) { + XML_Node* root = get_XML_File(infile); + if (id == "-") id = ""; + XML_Node* x = get_XML_Node(string("#")+id, root); + if (x) + return newPhase(*x); + else + return 0; + } /** * Set the thermodynamic state. @@ -735,6 +745,11 @@ namespace Cantera { SurfPhase* s = (SurfPhase*)th; s->setCoveragesByName(comp); } + if (th->eosType() == cEdge && state.hasChild("coverages")) { + comp = getString(state,"coverages"); + EdgePhase* s = (EdgePhase*)th; + s->setCoveragesByName(comp); + } } /** @@ -789,6 +804,7 @@ namespace Cantera { * the xml tree. EOS's that we don't know about don't create an * error condition. */ + bool eoserror = false; if (phase.hasChild("thermo")) { const XML_Node& eos = phase.child("thermo"); if (eos["model"] == "Incompressible") { @@ -798,8 +814,7 @@ namespace Cantera { th->setParameters(1, &rho); } else { - throw CanteraError("importCTML", - "wrong equation of state type"); + eoserror = true; } } else if (eos["model"] == "SolidCompound") { @@ -808,8 +823,7 @@ namespace Cantera { th->setDensity(rho); } else { - throw CanteraError("importCTML", - "wrong equation of state type"); + eoserror = true; } } else if (eos["model"] == "Surface") { @@ -821,10 +835,22 @@ namespace Cantera { th->setParameters(1, &n); } else { - throw CanteraError("importCTML", - "wrong equation of state type"); + eoserror = true; } } + else if (eos["model"] == "Edge") { + if (th->eosType() == cEdge) { + doublereal n = getFloat(eos, "site_density", "-"); + if (n <= 0.0) + throw CanteraError("importCTML", + "missing or negative site density"); + th->setParameters(1, &n); + } + else { + eoserror = true; + } + } +#ifdef INCL_PURE_FLUIDS else if (eos["model"] == "PureFluid") { if (th->eosType() == cPureFluid) { subflag = atoi(eos["fluid_type"].c_str()); @@ -840,10 +866,15 @@ namespace Cantera { //th->setParameters(3, c); } else { - throw CanteraError("importCTML", - "wrong equation of state type"); + eoserror = true; } } +#endif + if (eoserror) { + string msg = "Wrong equation of state type for phase "+phase["id"]+"\n"; + msg += eos["model"]+" is not consistent with eos type "+int2str(th->eosType()); + throw CanteraError("importCTML",msg); + } } @@ -1138,6 +1169,9 @@ next: else if (typ == "surface") { rdata.reactionType = SURFACE_RXN; } + else if (typ == "edge") { + rdata.reactionType = EDGE_RXN; + } //else if (typ == "global") { // rdata.reactionType = GLOBAL_RXN; //} @@ -1306,11 +1340,24 @@ next: const XML_Node& ii = *incl[nii]; string imin = ii["min"]; string imax = ii["max"]; + + string::size_type iwild = string::npos; + if (imax == imin) { + iwild = imin.find("*"); + if (iwild != string::npos) { + imin = imin.substr(0,iwild); + imax = imin; + } + } + for (i = 0; i < nrxns; i++) { const XML_Node* r = allrxns[i]; string rxid; if (r) { rxid = (*r)["id"]; + if (iwild != string::npos) { + rxid = rxid.substr(0,iwild); + } /* * To decide whether the reaction is included or not * we do a lexical min max and operation. This @@ -1364,6 +1411,8 @@ next: bool importKinetics(const XML_Node& phase, vector th, Kinetics* k) { + if (k == 0) return false; + Kinetics& kin = *k; // This phase will be the default one diff --git a/Cantera/src/importCTML.h b/Cantera/src/importCTML.h index a6aed6630..c05838873 100755 --- a/Cantera/src/importCTML.h +++ b/Cantera/src/importCTML.h @@ -80,6 +80,7 @@ namespace Cantera { bool installReactionArrays(const XML_Node& parent, Kinetics& kin, string default_phase, bool check_for_duplicates = false); ThermoPhase* newPhase(XML_Node& phase); + ThermoPhase* newPhase(string file, string id); bool buildSolutionFromXML(XML_Node& root, string id, string nm, ThermoPhase* th, Kinetics* k); diff --git a/Cantera/src/mix_defs.h b/Cantera/src/mix_defs.h index 97819c632..84ed15a6f 100755 --- a/Cantera/src/mix_defs.h +++ b/Cantera/src/mix_defs.h @@ -46,6 +46,7 @@ namespace Cantera { const int cGRI30 = 3; const int cInterfaceKinetics = 4; const int cLineKinetics = 5; + const int cEdgeKinetics = 6; } #endif diff --git a/Cantera/src/reaction_defs.h b/Cantera/src/reaction_defs.h index d08c9e626..c078412fa 100755 --- a/Cantera/src/reaction_defs.h +++ b/Cantera/src/reaction_defs.h @@ -50,6 +50,8 @@ namespace Cantera { */ const int SURFACE_RXN = 20; + const int EDGE_RXN = 22; + const int GLOBAL_RXN = 30; //@} diff --git a/Cantera/src/xml.cpp b/Cantera/src/xml.cpp index f5898f60c..af98c7f53 100755 --- a/Cantera/src/xml.cpp +++ b/Cantera/src/xml.cpp @@ -470,19 +470,9 @@ namespace Cantera { while (!f.eof()) { attribs.clear(); nm = r.readTag(attribs); -#ifdef DEBUG_HKM - //if (nm == "EOF") { - // cout << "*** at XMLNode "; - // if (!node) cout << "NULL"; - // cout << " : read " << nm << endl; - //} else { - // cout << "*** at XMLNode " << node->name() - // << " : read " << nm << endl; - //} -#endif + if (nm == "EOF") break; if (nm == "--" && m_name == "--" && m_root == this) { - //cout << "*********special top condition " << endl; continue; } int lnum = r.m_line; @@ -569,19 +559,7 @@ namespace Cantera { node_dest->addAttribute(b->first, b->second); } const vector &vsc = node_dest->children(); -#ifdef DEBUG_HKM - //cout << "*** dest: " << node_dest->name() - // << ", value = \"" << node_dest->value(); - //cout << "\" *** src: " << m_name - // << ", value = \"" << m_value << "\"" << endl; - //cout << " ***** src: " << m_name - // << " has " << m_nchildren <<" children:"; - //for (int n = 0; n < m_nchildren; n++) { - // sc = m_children[n]; - // cout << " " << sc->name(); - //} - //cout << endl; -#endif + for (int n = 0; n < m_nchildren; n++) { sc = m_children[n]; ndc = node_dest->nChildren(); @@ -605,15 +583,7 @@ namespace Cantera { int iloc; string cname; map::const_iterator i; -#ifdef DEBUG_HKM - //if (loc == "elementArray") { - // i = m_childindex.begin(); - // for ( ; i != m_childindex.end(); i++) { - // XML_Node*ccc = i->second; - // cout << i->first << " " << ccc->name() << endl; - // } - //} -#endif + while (1) { iloc = loc.find('/'); if (iloc >= 0) { @@ -747,12 +717,6 @@ namespace Cantera { */ XML_Node* find_XML(string src, XML_Node* root, string id, string loc, string name) { -#ifdef DEBUG_HKM - // cout << "find_XML src = " << src << endl; - // cout << "find_XML id = " << id << endl; - // cout << "find_XML loc = " << loc << endl; - // cout << "find_XML name = " << name << endl; -#endif string file, id2; split(src, file, id2); src = file; diff --git a/Cantera/src/xml.h b/Cantera/src/xml.h index f6a407a5c..d248703a8 100755 --- a/Cantera/src/xml.h +++ b/Cantera/src/xml.h @@ -110,13 +110,8 @@ namespace Cantera { bool hasChild(string ch) const { return (m_childindex.find(ch) != m_childindex.end()); - //return (m_childindex[ch] != 0); } bool hasAttrib(string a) const { - //cout << m_attribs.size() << endl; - // if (m_attribs.size() == 0) { - // cout << name() << " has zero length attribs " << endl; - // } return (m_attribs.find(a) != m_attribs.end()); } diff --git a/INSTALLING b/INSTALLING index 2c539cceb..2dcf239f6 100644 --- a/INSTALLING +++ b/INSTALLING @@ -50,27 +50,19 @@ be created within your home directory if they don't exist already, and cantera will be installed into these directories. - Configuring the Environment --------------------------- The build process will create a shell script 'cantera.cfg' that -configures the environment for Cantera. This should be run by typing +configures the environment for Cantera. This script may be found in +directory 'cantera' within the installation directory +(i.e. '/usr/local/cantera'). This should be run by typing source /usr/local/cantera/cantera.cfg -to set environment variables before using Cantera. This may not be -necessary if a default installation into /usr/local is done, but is -necessary if a custom installation is done. - -If the HOME environment variable is set, the build process will copy -cantera.cfg to your home directory. You can insure that the latest -version of cantera.cfg is run every time you log in by adding the line - -source cantera.cfg - -to your shell login script. - +to set environment variables before using Cantera. It is recommended +to add this line to your shell login script, so that Cantera will be +correctly configured each time you log in. The Python Interface diff --git a/config.h.in b/config.h.in index 3926f2884..3e06e669e 100755 --- a/config.h.in +++ b/config.h.in @@ -67,6 +67,6 @@ typedef int ftnlen; // Fortran hidden string length type // used to find data files #undef CANTERA_ROOT - +#undef INCL_PURE_FLUIDS #endif diff --git a/config/configure b/config/configure index 1e726de4e..c575cd56f 100755 --- a/config/configure +++ b/config/configure @@ -1613,6 +1613,10 @@ fi if test "$ENABLE_TPX" = "y" then KERNEL=$KERNEL' 'tpx NEED_TPX=1 +cat >>confdefs.h <<\_ACEOF +#define INCL_PURE_FLUIDS 1 +_ACEOF + fi @@ -3216,7 +3220,7 @@ fi # Provide some information about the compiler. -echo "$as_me:3219:" \ +echo "$as_me:3223:" \ "checking for Fortran 77 compiler version" >&5 ac_compiler=`set X $ac_compile; echo $2` { (eval echo "$as_me:$LINENO: \"$ac_compiler --version &5\"") >&5 @@ -3393,7 +3397,7 @@ _ACEOF # flags. ac_save_FFLAGS=$FFLAGS FFLAGS="$FFLAGS $ac_verb" -(eval echo $as_me:3396: \"$ac_link\") >&5 +(eval echo $as_me:3400: \"$ac_link\") >&5 ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f77_v_output" >&5 FFLAGS=$ac_save_FFLAGS @@ -3473,7 +3477,7 @@ _ACEOF # flags. ac_save_FFLAGS=$FFLAGS FFLAGS="$FFLAGS $ac_cv_prog_f77_v" -(eval echo $as_me:3476: \"$ac_link\") >&5 +(eval echo $as_me:3480: \"$ac_link\") >&5 ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` echo "$ac_f77_v_output" >&5 FFLAGS=$ac_save_FFLAGS diff --git a/config/configure.in b/config/configure.in index 142c0220a..a73ab84cc 100755 --- a/config/configure.in +++ b/config/configure.in @@ -279,6 +279,7 @@ fi if test "$ENABLE_TPX" = "y" then KERNEL=$KERNEL' 'tpx NEED_TPX=1 +AC_DEFINE(INCL_PURE_FLUIDS) fi AC_SUBST(KERNEL) diff --git a/configure b/configure index 289a648ee..609828540 100755 --- a/configure +++ b/configure @@ -36,17 +36,19 @@ CANTERA_VERSION=${CANTERA_VERSION:="1.5.3"} # g++ and g77 compilers. USE_VISUAL_STUDIO=${USE_VISUAL_STUDIO:="y"} -# +# If you are using Visual Studio, set this to the location of the +# directory containing the Fortran libraries. This is only needed to +# build the Matlab interface. FORTRAN_LIB_DIR="D:\Program Files\Microsoft Visual Studio\DF98\LIB" + #---------------------------------------------------------------------- # Language Interfaces #---------------------------------------------------------------------- # # Cantera provides interfaces for several languages. Set to 'y' to -# build the specified interface. If you only plan to use Cantera from -# C++, you do not need to build any of these. +# build the specified interface. #------------ Python ------------------------------------------------- @@ -87,7 +89,7 @@ BUILD_MATLAB_TOOLBOX=${BUILD_MATLAB_TOOLBOX:="y"} # Cantera and build them automatically along with the rest of Cantera. # All you need to do is specify the directory where your source code is # located. -USER_SRC_DIR="Cantera/user" +USER_SRC_DIR="Cantera/user" # don't change this @@ -109,8 +111,9 @@ USER_SRC_DIR="Cantera/user" # thermodynamic properties ENABLE_THERMO='y' -# enable importing Chemkin input files -ENABLE_CK='n' +# if set to 'y', the ck2cti program that converts Chemkin input files +# to Cantera format will be built +ENABLE_CK='y' # homogeneous and heterogeneous kinetics ENABLE_KINETICS='y' @@ -176,7 +179,7 @@ LAPACK_FTN_STRING_LEN_AT_END='y' CXX=${CXX:=g++} # C++ compiler flags -CXXFLAGS=${CXXFLAGS:="-O2 -Wall"} +CXXFLAGS=${CXXFLAGS:="-O0 -g -Wall"} # the C++ flags required for linking #LCXX_FLAGS= @@ -208,7 +211,7 @@ F77=${F77:=g77} F90=${F90:=f90} # Fortran compiler flags -FFLAGS=${FFLAGS:='-O2'} +FFLAGS=${FFLAGS:='-O3 -g'} # the additional Fortran flags required for linking, if any #LFORT_FLAGS="-lF77 -lFI77" diff --git a/data/inputs/nasa.cti b/data/inputs/nasa.cti index 147cbf94b..aac35d682 100644 --- a/data/inputs/nasa.cti +++ b/data/inputs/nasa.cti @@ -23,7 +23,7 @@ species(name = "Electron", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, -1.172469020E+01] ) ) - note = "gas L10/92" + # note = "gas L10/92" ) species(name = "AL", @@ -36,7 +36,7 @@ species(name = "AL", 2.827980480E-08, -8.543620130E-12, 1.022079830E-15, 3.890456620E+04, 5.379841730E+00] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "AL+", @@ -49,7 +49,7 @@ species(name = "AL+", 1.903604630E-08, -5.688814930E-12, 6.005299950E-16, 1.090239950E+05, 3.725382610E+00] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "AL-", @@ -62,7 +62,7 @@ species(name = "AL-", -3.793895350E-07, 6.900598530E-11, -4.398841160E-15, 3.309602600E+04, 7.555571870E+00] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "ALBO2", @@ -75,7 +75,7 @@ species(name = "ALBO2", -1.243110700E-06, 2.318877900E-10, -1.604120800E-14, -6.768368200E+04, -9.981739760E+00] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "ALBr", @@ -88,7 +88,7 @@ species(name = "ALBr", -7.076444700E-08, 1.065901800E-11, 1.483026600E-16, 5.761684900E+02, 3.739108570E+00] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALBr3", @@ -101,7 +101,7 @@ species(name = "ALBr3", -1.990298300E-07, 3.925181800E-11, -2.842797500E-15, -5.234954400E+04, -1.311910900E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALC", @@ -114,7 +114,7 @@ species(name = "ALC", -1.746704000E-07, 3.430433600E-11, -2.477270600E-15, 8.160660500E+04, 2.904725210E+00] ) ) - note = "J 6/63" + # note = "J 6/63" ) species(name = "ALCL", @@ -127,7 +127,7 @@ species(name = "ALCL", -8.292185200E-08, 1.234231900E-11, -2.375581800E-17, -7.528108100E+03, 2.537294240E+00] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALCL+", @@ -140,7 +140,7 @@ species(name = "ALCL+", 2.299735100E-07, -2.427979800E-11, -2.644054400E-16, 1.022044700E+05, 1.430399890E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCLF", @@ -153,7 +153,7 @@ species(name = "ALCLF", -3.118639200E-07, 6.214237900E-11, -4.251957300E-15, -6.093876900E+04, -3.062270760E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCLF+", @@ -166,7 +166,7 @@ species(name = "ALCLF+", -3.136608800E-07, 6.160731000E-11, -4.449053700E-15, 3.100599000E+04, -8.482113530E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCLF2", @@ -179,7 +179,7 @@ species(name = "ALCLF2", -5.746879600E-07, 1.127841900E-10, -8.139815400E-15, -1.230925000E+05, -1.560078460E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCL2", @@ -192,7 +192,7 @@ species(name = "ALCL2", -2.034245600E-07, 4.090013500E-11, -2.720937500E-15, -3.579468900E+04, -3.348439040E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCL2+", @@ -205,7 +205,7 @@ species(name = "ALCL2+", -2.076647900E-07, 4.087990600E-11, -2.956891400E-15, 5.564377500E+04, -8.518098620E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCL2-", @@ -218,7 +218,7 @@ species(name = "ALCL2-", -1.588435400E-07, 2.995006300E-11, -1.654481500E-15, -5.995425700E+04, -4.136329150E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCL2F", @@ -231,7 +231,7 @@ species(name = "ALCL2F", -4.348867600E-07, 8.546407500E-11, -6.173947400E-15, -9.806028700E+04, -1.537911970E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALCL3", @@ -244,7 +244,7 @@ species(name = "ALCL3", -3.066385000E-07, 6.039150900E-11, -4.369357400E-15, -7.328581300E+04, -1.629638310E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALF", @@ -257,7 +257,7 @@ species(name = "ALF", -1.747773300E-07, 3.001548400E-11, -1.532884100E-15, -3.327593800E+04, 2.066407430E+00] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALF+", @@ -270,7 +270,7 @@ species(name = "ALF+", -1.431838300E-07, -4.544233000E-11, 7.342074900E-15, 8.223250000E+04, 7.083708390E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALF2", @@ -283,7 +283,7 @@ species(name = "ALF2", -4.453502800E-07, 8.820596000E-11, -6.126225500E-15, -8.556647900E+04, -3.951192330E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALF2+", @@ -296,7 +296,7 @@ species(name = "ALF2+", -4.573944000E-07, 8.962059900E-11, -6.460982500E-15, 8.899194300E+03, -9.459697650E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALF2-", @@ -309,7 +309,7 @@ species(name = "ALF2-", -3.684002100E-07, 7.015047700E-11, -4.687629800E-15, -1.112529000E+05, -5.021179660E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALF2O", @@ -322,7 +322,7 @@ species(name = "ALF2O", -5.452446500E-07, 1.203686000E-10, -9.648359900E-15, -1.363066800E+05, -1.604287220E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALF2O-", @@ -335,7 +335,7 @@ species(name = "ALF2O-", -7.002911500E-07, 1.372921200E-10, -9.901398500E-15, -1.604033600E+05, -1.587925080E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALF3", @@ -348,7 +348,7 @@ species(name = "ALF3", -5.175995810E-07, 8.867827890E-11, -5.528373630E-15, -1.483903300E+05, -1.750366610E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALF4-", @@ -361,7 +361,7 @@ species(name = "ALF4-", -7.806422700E-07, 1.534447400E-10, -1.108637400E-14, -2.433603600E+05, -3.119807500E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "ALH", @@ -374,7 +374,7 @@ species(name = "ALH", -4.986994100E-07, 9.229463300E-11, -6.345169400E-15, 3.009176100E+04, 3.095488230E+00] ) ) - note = "J 6/63" + # note = "J 6/63" ) species(name = "ALI", @@ -387,7 +387,7 @@ species(name = "ALI", -1.947178770E-07, 4.317665940E-11, -2.509959420E-15, 6.877338390E+03, 5.195549900E+00] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALI3", @@ -400,7 +400,7 @@ species(name = "ALI3", -1.509485400E-07, 2.981315800E-11, -2.161799400E-15, -2.623399600E+04, -1.066399430E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALN", @@ -413,7 +413,7 @@ species(name = "ALN", -2.012640900E-07, 4.125948800E-11, -2.885430800E-15, 6.158324000E+04, 3.582342980E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "ALO", @@ -426,7 +426,7 @@ species(name = "ALO", 2.748553300E-07, -1.792860600E-10, 1.998781300E-14, 7.094333600E+03, 7.209634230E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "ALO+", @@ -439,7 +439,7 @@ species(name = "ALO+", -3.445999900E-07, 7.617232700E-11, -5.903240000E-15, 1.180743900E+05, 3.529519820E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "ALO-", @@ -452,7 +452,7 @@ species(name = "ALO-", -2.188866500E-07, 3.853302400E-11, -2.109555000E-15, -3.371008900E+04, 2.244806520E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "ALOCL", @@ -465,7 +465,7 @@ species(name = "ALOCL", -3.423335500E-07, 6.502264800E-11, -4.551919700E-15, -4.408083200E+04, -9.300140390E+00] ) ) - note = "J 9/64" + # note = "J 9/64" ) species(name = "ALOF", @@ -478,7 +478,7 @@ species(name = "ALOF", -5.289313700E-07, 1.036781100E-10, -7.476536700E-15, -7.211636300E+04, -9.018127810E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "ALOH", @@ -491,7 +491,7 @@ species(name = "ALOH", -1.246624400E-06, 2.138220500E-10, -1.389831900E-14, -2.304610500E+04, 3.690155590E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "ALOH+", @@ -504,7 +504,7 @@ species(name = "ALOH+", -1.056541400E-06, 1.794516700E-10, -1.158701400E-14, 6.389288800E+04, 2.640138120E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "ALOH-", @@ -517,7 +517,7 @@ species(name = "ALOH-", -7.398864500E-07, 1.182105500E-10, -7.220884100E-15, -2.913409500E+04, 3.527007550E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "ALO2", @@ -530,7 +530,7 @@ species(name = "ALO2", -5.222934400E-07, 1.132422000E-10, -8.529096800E-15, -1.253243200E+04, -8.017175870E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "ALO2-", @@ -543,7 +543,7 @@ species(name = "ALO2-", -5.650399100E-07, 1.104637900E-10, -7.951244200E-15, -6.097200900E+04, -8.798795040E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "ALO2H", @@ -556,7 +556,7 @@ species(name = "ALO2H", -1.213934800E-06, 2.107450000E-10, -1.382800000E-14, -5.762615400E+04, -7.457592560E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "ALS", @@ -569,7 +569,7 @@ species(name = "ALS", -1.494288580E-06, 2.263658700E-10, -1.210363840E-14, 2.824057540E+04, 1.598822730E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "AL2", @@ -582,7 +582,7 @@ species(name = "AL2", 6.075188600E-07, -1.069241900E-10, 7.061140900E-15, 5.678904700E+04, -4.954710630E+00] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "AL2Br6", @@ -595,7 +595,7 @@ species(name = "AL2Br6", -3.759477800E-07, 7.417011000E-11, -5.372855100E-15, -1.192932500E+05, -5.610682000E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "AL2CL6", @@ -608,7 +608,7 @@ species(name = "AL2CL6", -6.221367100E-07, 1.225937700E-10, -8.872758500E-15, -1.624047200E+05, -6.247318810E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "AL2F6", @@ -621,7 +621,7 @@ species(name = "AL2F6", -1.608555200E-06, 3.156625200E-10, -2.278028700E-14, -3.231511000E+05, -6.324007900E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "AL2I6", @@ -634,7 +634,7 @@ species(name = "AL2I6", -2.583902800E-07, 5.104597700E-11, -3.701773800E-15, -6.544913100E+04, -5.116606630E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "AL2O", @@ -647,7 +647,7 @@ species(name = "AL2O", -3.629100100E-07, 6.953130000E-11, -4.734521100E-15, -1.964319700E+04, -8.772331290E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "AL2O+", @@ -660,7 +660,7 @@ species(name = "AL2O+", -3.141924400E-07, 6.164098300E-11, -4.447869800E-15, 7.627075600E+04, -8.331814420E+00] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "AL2O2", @@ -673,7 +673,7 @@ species(name = "AL2O2", -4.325851300E-07, 8.517884000E-11, -6.161537000E-15, -5.042805900E+04, -1.915646800E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "AL2O2+", @@ -686,7 +686,7 @@ species(name = "AL2O2+", -3.736160800E-07, 7.360516800E-11, -5.326279400E-15, 6.526406800E+04, -1.867725860E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "Ar", @@ -699,7 +699,7 @@ species(name = "Ar", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ) ) - note = "L 6/88" + # note = "L 6/88" ) species(name = "Ar+", @@ -712,7 +712,7 @@ species(name = "Ar+", 9.366887760E-09, 2.925808590E-12, -3.582479410E-16, 1.827026170E+05, 3.532299800E+00] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "B", @@ -725,7 +725,7 @@ species(name = "B", 1.094582780E-09, -1.200064140E-12, 2.431219940E-16, 6.660759140E+04, 4.218879790E+00] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "B+", @@ -738,7 +738,7 @@ species(name = "B+", 1.904117550E-08, -5.718400710E-12, 6.068930370E-16, 1.636278510E+05, 2.353926990E+00] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "B-", @@ -751,7 +751,7 @@ species(name = "B-", 3.299657830E-11, -5.746496520E-15, 3.623660560E-19, 6.264176930E+04, 4.615985930E+00] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "BCL", @@ -764,7 +764,7 @@ species(name = "BCL", -1.886432600E-07, 3.583334200E-11, -2.509906900E-15, 1.568795800E+04, 1.955251190E+00] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "BCL+", @@ -777,7 +777,7 @@ species(name = "BCL+", -1.792858400E-07, 3.241613700E-11, -2.054575800E-15, 1.471309700E+05, 2.642729450E+00] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "BCLF", @@ -790,7 +790,7 @@ species(name = "BCLF", -6.011413700E-07, 1.136704400E-10, -7.936806300E-15, -3.969332700E+04, -1.535038380E+00] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "BCL2", @@ -803,7 +803,7 @@ species(name = "BCL2", -2.604970500E-07, 6.359635800E-11, -5.398221500E-15, -1.166130400E+04, -4.460869770E+00] ) ) - note = "J 6/72" + # note = "J 6/72" ) species(name = "BCL2+", @@ -816,7 +816,7 @@ species(name = "BCL2+", -3.210149600E-07, 6.834442200E-11, -5.007359200E-15, 7.885782200E+04, -8.934626610E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "BCL2-", @@ -829,7 +829,7 @@ species(name = "BCL2-", -4.469986300E-07, 1.383117800E-10, -1.322199500E-14, -1.970543200E+04, -4.774720730E+00] ) ) - note = "J 6/72" + # note = "J 6/72" ) species(name = "BCL3", @@ -842,7 +842,7 @@ species(name = "BCL3", -6.700060200E-07, 1.278911200E-10, -9.000005900E-15, -5.135707100E+04, -1.515842970E+01] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "BF", @@ -855,7 +855,7 @@ species(name = "BF", -4.125156400E-07, 7.719643800E-11, -5.349874100E-15, -1.512726400E+04, 3.266122430E+00] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "BF2", @@ -868,7 +868,7 @@ species(name = "BF2", -7.844447400E-07, 1.571985900E-10, -1.131107100E-14, -7.286036700E+04, -2.273319200E+00] ) ) - note = "J 6/72" + # note = "J 6/72" ) species(name = "BF2+", @@ -881,7 +881,7 @@ species(name = "BF2+", -7.710345700E-07, 1.448978200E-10, -9.980915600E-15, 3.679480100E+04, -7.004311920E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "BF2-", @@ -894,7 +894,7 @@ species(name = "BF2-", -9.723551000E-07, 2.164144300E-10, -1.664088100E-14, -9.833692800E+04, -2.327760780E+00] ) ) - note = "J 6/72" + # note = "J 6/72" ) species(name = "BF3", @@ -907,7 +907,7 @@ species(name = "BF3", -1.370515400E-06, 2.591967100E-10, -1.812231000E-14, -1.391807200E+05, -1.118430090E+01] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "BH", @@ -920,7 +920,7 @@ species(name = "BH", -5.826172900E-07, 1.024206800E-10, -6.766956900E-15, 5.232871400E+04, 3.796243290E+00] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "BHF2", @@ -933,7 +933,7 @@ species(name = "BHF2", -1.933785800E-06, 3.550838200E-10, -2.429366700E-14, -9.037501200E+04, -3.043140310E+00] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "BH2", @@ -946,7 +946,7 @@ species(name = "BH2", -1.509755100E-06, 2.667280500E-10, -1.771305300E-14, 2.291902800E+04, 1.259282590E+00] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "BH3", @@ -959,7 +959,7 @@ species(name = "BH3", -2.751033700E-06, 4.780370900E-10, -3.133428500E-14, 1.192375300E+04, 8.849450830E+00] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "BN", @@ -972,7 +972,7 @@ species(name = "BN", -2.997264400E-07, 5.603694400E-11, -4.075042100E-15, 5.617124100E+04, 4.600225250E+00] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "BO", @@ -985,7 +985,7 @@ species(name = "BO", -5.504963000E-07, 9.911667800E-11, -6.416454600E-15, -1.030342200E+03, 6.037489540E+00] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "BOCL", @@ -998,7 +998,7 @@ species(name = "BOCL", -7.748789800E-07, 1.439857200E-10, -9.931774500E-15, -3.997735300E+04, -4.880403550E+00] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "BOF", @@ -1011,7 +1011,7 @@ species(name = "BOF", -7.936005860E-07, 1.334765710E-10, -8.217793310E-15, -7.431138520E+04, -4.765005350E+00] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "BOF2", @@ -1024,7 +1024,7 @@ species(name = "BOF2", -1.305961700E-06, 2.530824200E-10, -1.768733300E-14, -1.033457600E+05, -1.119241600E+01] ) ) - note = "J12/66" + # note = "J12/66" ) species(name = "BO2", @@ -1037,7 +1037,7 @@ species(name = "BO2", -8.130279700E-07, 1.573582100E-10, -1.094423800E-14, -3.625511700E+04, -6.560907970E+00] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "BO2-", @@ -1050,7 +1050,7 @@ species(name = "BO2-", -1.093219400E-06, 2.008087300E-10, -1.371776900E-14, -8.528432400E+04, -3.009276400E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "BS", @@ -1063,7 +1063,7 @@ species(name = "BS", -4.749526600E-07, 1.065460100E-10, -8.051964300E-15, 2.801281600E+04, 4.424620900E+00] ) ) - note = "J 6/72" + # note = "J 6/72" ) species(name = "B2", @@ -1076,7 +1076,7 @@ species(name = "B2", 1.697049780E-07, -2.065490420E-11, 9.414359250E-16, 9.798738280E+04, -6.007422170E+00] ) ) - note = "J 3/79" + # note = "J 3/79" ) species(name = "B2O", @@ -1089,7 +1089,7 @@ species(name = "B2O", -1.000832400E-06, 1.869751000E-10, -1.295367200E-14, 9.885335400E+03, -6.358512890E-01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "B2O2", @@ -1102,7 +1102,7 @@ species(name = "B2O2", -1.475361100E-06, 2.722512400E-10, -1.869599600E-14, -5.729617800E+04, -1.216777710E+01] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "B2O3", @@ -1115,7 +1115,7 @@ species(name = "B2O3", -1.955230400E-06, 3.618774900E-10, -2.490723200E-14, -1.035715800E+05, -1.581000090E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "B3O3CL3", @@ -1128,7 +1128,7 @@ species(name = "B3O3CL3", -2.724292600E-06, 5.204791000E-10, -3.667779000E-14, -2.032088300E+05, -6.788515210E+01] ) ) - note = "J 3/65" + # note = "J 3/65" ) species(name = "B3O3F3", @@ -1141,7 +1141,7 @@ species(name = "B3O3F3", -3.788105800E-06, 7.187040100E-10, -5.037691700E-14, -2.909310400E+05, -5.985875230E+01] ) ) - note = "J 3/65" + # note = "J 3/65" ) species(name = "B3O3H3", @@ -1154,7 +1154,7 @@ species(name = "B3O3H3", -4.609224870E-06, 7.658245420E-10, -4.676237930E-14, -1.516486290E+05, -3.989180070E+01] ) ) - note = "J 3/65" + # note = "J 3/65" ) species(name = "Ba", @@ -1167,7 +1167,7 @@ species(name = "Ba", 7.117214700E-06, -1.533667300E-09, 1.087670000E-13, 1.888996600E+04, -2.348768480E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "BaBr", @@ -1180,7 +1180,7 @@ species(name = "BaBr", -2.990174900E-07, 1.064130100E-10, -9.841604900E-15, -1.461768500E+04, 7.525260870E+00] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BaBr2", @@ -1193,7 +1193,7 @@ species(name = "BaBr2", -2.619542800E-08, 5.199282800E-12, -3.785277000E-16, -5.316684200E+04, 1.490027550E+00] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BaCL", @@ -1206,7 +1206,7 @@ species(name = "BaCL", 8.127068000E-08, 3.021696200E-11, -5.318330100E-15, -1.854214200E+04, 4.464442040E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaCL2", @@ -1219,7 +1219,7 @@ species(name = "BaCL2", -4.326834800E-08, 8.396900600E-12, -5.989208500E-16, -6.207605100E+04, -3.058630750E-01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaF", @@ -1232,7 +1232,7 @@ species(name = "BaF", -2.286331500E-07, 8.986555400E-11, -8.765759500E-15, -4.010137600E+04, 4.601485460E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaF+", @@ -1245,7 +1245,7 @@ species(name = "BaF+", 2.588280800E-06, -5.045869800E-10, 3.071956000E-14, 1.596065100E+04, -7.884984490E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaF2", @@ -1258,7 +1258,7 @@ species(name = "BaF2", -1.005352100E-07, 1.942856600E-11, -1.380750700E-15, -9.876311400E+04, -2.695283240E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaOH", @@ -1271,7 +1271,7 @@ species(name = "BaOH", -5.782330700E-07, 1.404022200E-10, -1.203576500E-14, -2.895907400E+04, -1.497872880E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BaOH+", @@ -1284,7 +1284,7 @@ species(name = "BaOH+", -4.235021600E-07, 6.057836300E-11, -3.351965300E-15, 3.087134900E+04, -2.107673000E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "BaO2H2", @@ -1297,7 +1297,7 @@ species(name = "BaO2H2", -8.175367800E-07, 1.153488400E-10, -6.283375600E-15, -7.818658600E+04, -1.468867160E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BaS", @@ -1310,7 +1310,7 @@ species(name = "BaS", -1.179568100E-06, 5.761863800E-10, -6.754632400E-14, 3.115982000E+03, 4.285984360E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Be", @@ -1323,7 +1323,7 @@ species(name = "Be", -2.647308320E-07, 6.256813880E-11, -3.892810070E-15, 3.829580550E+04, 3.267319420E+00] ) ) - note = "J 9/83" + # note = "J 9/83" ) species(name = "Be+", @@ -1336,7 +1336,7 @@ species(name = "Be+", 5.274810900E-09, -2.161550490E-12, 3.007130260E-16, 1.458932770E+05, 2.830668470E+00] ) ) - note = "J 9/83" + # note = "J 9/83" ) species(name = "BeBO2", @@ -1349,7 +1349,7 @@ species(name = "BeBO2", -1.367812000E-06, 2.557621100E-10, -1.772774100E-14, -6.050571500E+04, -9.161658050E+00] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "BeBr", @@ -1362,7 +1362,7 @@ species(name = "BeBr", -1.483887300E-07, 2.676227200E-11, -1.562612700E-15, 1.311546400E+04, 3.322948450E+00] ) ) - note = "J 6/75" + # note = "J 6/75" ) species(name = "BeBr2", @@ -1375,7 +1375,7 @@ species(name = "BeBr2", -3.336820600E-07, 6.530234900E-11, -4.704109600E-15, -2.975711700E+04, -6.471791870E+00] ) ) - note = "J 6/75" + # note = "J 6/75" ) species(name = "BeCL", @@ -1388,7 +1388,7 @@ species(name = "BeCL", -1.799652800E-07, 3.256390300E-11, -2.065284000E-15, 5.975306000E+03, 2.464517410E+00] ) ) - note = "J 9/66" + # note = "J 9/66" ) species(name = "BeCL+", @@ -1401,7 +1401,7 @@ species(name = "BeCL+", 1.112368300E-06, -1.695299400E-10, 6.100709100E-15, 1.159971700E+05, -5.062241350E+00] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "BeCLF", @@ -1414,7 +1414,7 @@ species(name = "BeCLF", -4.854536000E-07, 9.128786500E-11, -6.344354900E-15, -7.105977100E+04, -7.728699690E+00] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "BeCL2", @@ -1427,7 +1427,7 @@ species(name = "BeCL2", -3.725505300E-07, 7.056700600E-11, -4.933536000E-15, -4.549455800E+04, -8.422012290E+00] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "BeF", @@ -1440,7 +1440,7 @@ species(name = "BeF", -3.611306800E-07, 6.760109200E-11, -4.642083300E-15, -2.166005200E+04, 3.164192410E+00] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "BeF2", @@ -1453,7 +1453,7 @@ species(name = "BeF2", -6.610819700E-07, 1.244755100E-10, -8.671606300E-15, -9.777912700E+04, -7.917882610E+00] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "BeH", @@ -1466,7 +1466,7 @@ species(name = "BeH", -5.687296300E-07, 1.026081700E-10, -6.916697900E-15, 3.763951300E+04, 3.400274780E+00] ) ) - note = "J 3/63" + # note = "J 3/63" ) species(name = "BeH+", @@ -1479,7 +1479,7 @@ species(name = "BeH+", -6.680550300E-07, 1.251095100E-10, -8.174146600E-15, 1.381681200E+05, 3.555629160E+00] ) ) - note = "J 9/66" + # note = "J 9/66" ) species(name = "BeI", @@ -1492,7 +1492,7 @@ species(name = "BeI", -1.275947700E-07, 2.418970900E-11, -1.457014200E-15, 1.911035200E+04, 4.047667700E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeI2", @@ -1505,7 +1505,7 @@ species(name = "BeI2", -2.525375500E-07, 4.954105400E-11, -3.574720400E-15, -9.903885900E+03, -5.210255230E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeN", @@ -1518,7 +1518,7 @@ species(name = "BeN", -3.271160200E-07, 6.155188800E-11, -4.280904100E-15, 5.006618000E+04, 3.105585260E+00] ) ) - note = "J 6/63" + # note = "J 6/63" ) species(name = "BeO", @@ -1531,7 +1531,7 @@ species(name = "BeO", 3.411126080E-06, -8.210523710E-10, 6.137732790E-14, 1.458995800E+04, -8.085807000E+00] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BeOH", @@ -1544,7 +1544,7 @@ species(name = "BeOH", -8.548916200E-07, 1.430906200E-10, -9.111239900E-15, -1.536183800E+04, -1.988292070E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeOH+", @@ -1557,7 +1557,7 @@ species(name = "BeOH+", -8.554947300E-07, 1.444167100E-10, -9.356029400E-15, 8.982943600E+04, -2.726146610E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeO2H2", @@ -1570,7 +1570,7 @@ species(name = "BeO2H2", -1.650283400E-06, 2.767062300E-10, -1.782629800E-14, -8.410625900E+04, -1.842946600E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeS", @@ -1583,7 +1583,7 @@ species(name = "BeS", 4.257889100E-06, -1.256059900E-09, 1.134340300E-13, 3.022608400E+04, -3.578011960E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Be2O", @@ -1596,7 +1596,7 @@ species(name = "Be2O", -9.291957800E-07, 1.749641000E-10, -1.218998200E-14, -9.495898500E+03, -5.670422650E+00] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "Be2OF2", @@ -1609,7 +1609,7 @@ species(name = "Be2OF2", -1.248198700E-06, 2.365216900E-10, -1.655916000E-14, -1.484462300E+05, -2.448768300E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "Be2O2", @@ -1622,7 +1622,7 @@ species(name = "Be2O2", -1.316227300E-06, 2.497061400E-10, -1.749633900E-14, -5.198487600E+04, -1.292559480E+01] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "Be3O3", @@ -1635,7 +1635,7 @@ species(name = "Be3O3", -3.129272900E-06, 5.916258900E-10, -4.136019400E-14, -1.306184900E+05, -2.331688000E+01] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "Be4O4", @@ -1648,7 +1648,7 @@ species(name = "Be4O4", -3.516278900E-06, 6.692345700E-10, -4.700596300E-14, -1.970484500E+05, -5.149676590E+01] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "Br", @@ -1661,7 +1661,7 @@ species(name = "Br", -2.700030730E-07, 4.149862990E-11, -2.311882940E-15, 1.285687670E+04, 9.073511440E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "Br2", @@ -1674,7 +1674,7 @@ species(name = "Br2", 9.347451530E-07, -2.070653910E-10, 1.418085170E-14, 2.107056780E+03, 7.762233940E-02] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "C", @@ -1687,7 +1687,7 @@ species(name = "C", 1.067372190E-07, -1.642393900E-11, 8.187057520E-16, 8.541294430E+04, 4.192386810E+00] ) ) - note = "L11/88" + # note = "L11/88" ) species(name = "C+", @@ -1700,7 +1700,7 @@ species(name = "C+", 5.370692100E-09, -1.182705960E-12, 9.712675640E-17, 2.168794930E+05, 4.317396550E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "C-", @@ -1713,7 +1713,7 @@ species(name = "C-", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.993156540E+04, 3.963404030E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "CCL", @@ -1726,7 +1726,7 @@ species(name = "CCL", -2.001283300E-07, 3.868099200E-11, -2.544111300E-15, 5.907659900E+04, 3.350173610E+00] ) ) - note = "J12/69" + # note = "J12/69" ) species(name = "CCLF3", @@ -1739,7 +1739,7 @@ species(name = "CCLF3", -1.092602400E-06, 1.831437400E-10, -1.119405900E-14, -8.884875000E+04, -2.570411130E+01] ) ) - note = "L12/77" + # note = "L12/77" ) species(name = "CCL2", @@ -1752,7 +1752,7 @@ species(name = "CCL2", -2.343128400E-06, 4.180617700E-10, -2.676529500E-14, 2.755479300E+04, 9.645979540E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "CCL2F2", @@ -1765,7 +1765,7 @@ species(name = "CCL2F2", -9.007322300E-07, 1.526170200E-10, -9.443495800E-15, -6.310260200E+04, -2.662287650E+01] ) ) - note = "L12/77" + # note = "L12/77" ) species(name = "CCL3", @@ -1778,7 +1778,7 @@ species(name = "CCL3", -5.824945300E-07, 1.109869700E-10, -7.793726400E-15, 6.634415100E+03, -1.531613240E+01] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "CCL3F", @@ -1791,7 +1791,7 @@ species(name = "CCL3F", -6.926044300E-07, 1.174072400E-10, -7.264029200E-15, -3.810830900E+04, -2.827598580E+01] ) ) - note = "L12/77" + # note = "L12/77" ) species(name = "CCL4", @@ -1804,7 +1804,7 @@ species(name = "CCL4", -4.965025900E-07, 8.352502000E-11, -5.110722400E-15, -1.541909000E+04, -3.077781870E+01] ) ) - note = "L12/81" + # note = "L12/81" ) species(name = "CF", @@ -1817,7 +1817,7 @@ species(name = "CF", -3.646385500E-07, 6.748285400E-11, -4.526959600E-15, 2.947812500E+04, 4.174510090E+00] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "CF+", @@ -1830,7 +1830,7 @@ species(name = "CF+", -3.067556610E-07, 4.974300570E-11, -2.839690380E-15, 1.370188780E+05, 2.846088130E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "CF2", @@ -1843,7 +1843,7 @@ species(name = "CF2", -9.903727800E-07, 2.126484800E-10, -1.583111400E-14, -2.375584700E+04, -1.910904230E+00] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "CF2+", @@ -1856,7 +1856,7 @@ species(name = "CF2+", -9.117391100E-07, 1.827276100E-10, -1.321364000E-14, 1.114312200E+05, -7.787668410E-01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "CF3", @@ -1869,7 +1869,7 @@ species(name = "CF3", -1.314418100E-06, 2.499692500E-10, -1.755092800E-14, -5.923863100E+04, -1.094571000E+01] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "CF3+", @@ -1882,7 +1882,7 @@ species(name = "CF3+", -1.386487500E-06, 2.632363700E-10, -1.846440200E-14, 4.802231800E+04, -1.120653390E+01] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "CF4", @@ -1895,7 +1895,7 @@ species(name = "CF4", -1.403785020E-06, 2.391881880E-10, -1.485589060E-14, -1.158163370E+05, -2.497090910E+01] ) ) - note = "L 6/83" + # note = "L 6/83" ) species(name = "CH", @@ -1908,7 +1908,7 @@ species(name = "CH", -4.614757050E-07, 5.928854720E-11, -3.347319620E-15, 7.113143630E+04, 7.405321630E+00] ) ) - note = "TPIS79" + # note = "TPIS79" ) species(name = "CH+", @@ -1921,7 +1921,7 @@ species(name = "CH+", 1.695871700E-06, -3.510977090E-10, 2.221291970E-14, 1.946610790E+05, -5.027822240E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "CHCL", @@ -1934,7 +1934,7 @@ species(name = "CHCL", 4.474902300E-07, -1.360678700E-10, 1.024244500E-14, 3.531057700E+04, -1.751161460E+00] ) ) - note = "TPIS79" + # note = "TPIS79" ) species(name = "CHCLF2", @@ -1947,7 +1947,7 @@ species(name = "CHCLF2", -1.648986700E-06, 2.591042900E-10, -1.483621200E-14, -6.123426600E+04, -1.373429760E+01] ) ) - note = "L12/77" + # note = "L12/77" ) species(name = "CHCL2F", @@ -1960,7 +1960,7 @@ species(name = "CHCL2F", -1.426822600E-06, 2.224730300E-10, -1.263017300E-14, -3.742791000E+04, -1.541166210E+01] ) ) - note = "L12/77" + # note = "L12/77" ) species(name = "CHCL3", @@ -1973,7 +1973,7 @@ species(name = "CHCL3", -1.253764800E-06, 1.947913100E-10, -1.103202100E-14, -1.560900000E+04, -1.763169980E+01] ) ) - note = "X 6/81" + # note = "X 6/81" ) species(name = "CHF3", @@ -1986,7 +1986,7 @@ species(name = "CHF3", -1.837177500E-06, 2.900464300E-10, -1.669208900E-14, -8.636743800E+04, -1.361026120E+01] ) ) - note = "L 6/81" + # note = "L 6/81" ) species(name = "CH2", @@ -1999,7 +1999,7 @@ species(name = "CH2", -1.348532200E-06, 2.116412550E-10, -1.234456620E-14, 4.585903040E+04, 6.672864290E+00] ) ) - note = "L11/89" + # note = "L11/89" ) species(name = "CH2CLF", @@ -2012,7 +2012,7 @@ species(name = "CH2CLF", -2.081375900E-06, 3.134621500E-10, -1.708487800E-14, -3.428078100E+04, -4.879886260E+00] ) ) - note = "L12/77" + # note = "L12/77" ) species(name = "CH2CL2", @@ -2025,7 +2025,7 @@ species(name = "CH2CL2", -1.888744900E-06, 2.823339300E-10, -1.525686900E-14, -1.404881300E+04, -7.011561590E+00] ) ) - note = "L12/81" + # note = "L12/81" ) species(name = "CH2F2", @@ -2038,7 +2038,7 @@ species(name = "CH2F2", -2.340155300E-06, 3.572238100E-10, -1.978998600E-14, -5.679921500E+04, -3.528511310E+00] ) ) - note = "L 6/81" + # note = "L 6/81" ) species(name = "CH3", @@ -2051,7 +2051,7 @@ species(name = "CH3", -1.977785340E-06, 3.072787520E-10, -1.788538970E-14, 1.653888690E+04, 4.779445030E+00] ) ) - note = "L11/89" + # note = "L11/89" ) species(name = "CH3CL", @@ -2064,7 +2064,7 @@ species(name = "CH3CL", -2.416119100E-06, 3.520583800E-10, -1.840618500E-14, -1.179346500E+04, 8.592965290E-01] ) ) - note = "L12/81" + # note = "L12/81" ) species(name = "CH3F", @@ -2077,7 +2077,7 @@ species(name = "CH3F", -2.684531900E-06, 3.984110800E-10, -2.134863900E-14, -3.037248000E+04, 3.069903420E+00] ) ) - note = "L 6/81" + # note = "L 6/81" ) species(name = "CH2OH", @@ -2090,7 +2090,7 @@ species(name = "CH2OH", -2.265254710E-06, 3.556024810E-10, -2.086261900E-14, -2.892485740E+03, 4.877370050E-01] ) ) - note = "L12/92" + # note = "L12/92" ) species(name = "CH3O", @@ -2103,7 +2103,7 @@ species(name = "CH3O", -2.837399430E-06, 4.590396590E-10, -2.744260840E-14, -3.400732270E+02, 3.856374470E-01] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "CH4", @@ -2116,7 +2116,7 @@ species(name = "CH4", -3.369162540E-06, 5.349586670E-10, -3.155188330E-14, -1.000564550E+04, 9.993133260E+00] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "CH3OH", @@ -2129,7 +2129,7 @@ species(name = "CH3OH", -3.599855170E-06, 5.725059860E-10, -3.391176400E-14, -2.599719100E+04, 4.705122530E+00] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "CN", @@ -2142,7 +2142,7 @@ species(name = "CN", 2.997029960E-07, -6.927045320E-11, 4.461376910E-15, 5.172784190E+04, 2.774690440E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "CN+", @@ -2155,7 +2155,7 @@ species(name = "CN+", 9.035993080E-07, -1.359705860E-10, 7.337098590E-15, 2.135790810E+05, -1.913403860E+01] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "CN-", @@ -2168,7 +2168,7 @@ species(name = "CN-", -4.849022660E-07, 7.968652280E-11, -4.827709160E-15, 6.881956650E+03, 5.631283430E+00] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "CNN", @@ -2181,7 +2181,7 @@ species(name = "CNN", -8.525778320E-07, 1.384238530E-10, -8.184231160E-15, 7.455869200E+04, -6.775871460E-01] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "CO", @@ -2194,7 +2194,7 @@ species(name = "CO", -4.857940750E-07, 7.885364860E-11, -4.698074890E-15, -1.426611710E+04, 6.017097900E+00] ) ) - note = "TPIS79" + # note = "TPIS79" ) species(name = "CO+", @@ -2207,7 +2207,7 @@ species(name = "CO+", -6.162389690E-07, 1.099560190E-10, -6.661113070E-15, 1.491446920E+05, 7.338379280E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "COCL", @@ -2220,7 +2220,7 @@ species(name = "COCL", -6.600628000E-07, 1.212711400E-10, -8.285860100E-15, -9.330500700E+03, 3.828740560E-01] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "COCLF", @@ -2233,7 +2233,7 @@ species(name = "COCLF", -1.376331600E-06, 2.654400500E-10, -1.892896900E-14, -5.388378100E+04, -8.684993550E+00] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "COCL2", @@ -2246,7 +2246,7 @@ species(name = "COCL2", -8.220771580E-07, 1.389511330E-10, -8.584066530E-15, -2.910564230E+04, -1.190119070E+01] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "COF", @@ -2259,7 +2259,7 @@ species(name = "COF", -9.255072500E-07, 1.727012000E-10, -1.195534300E-14, -2.235798400E+04, 9.927840610E-01] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "COF2", @@ -2272,7 +2272,7 @@ species(name = "COF2", -1.217762690E-06, 2.055822610E-10, -1.268931250E-14, -7.954827160E+04, -9.528645740E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "COS", @@ -2285,7 +2285,7 @@ species(name = "COS", -9.606452200E-07, 1.777834700E-10, -1.223570400E-14, -1.848045500E+04, -3.077738890E+00] ) ) - note = "J 3/61" + # note = "J 3/61" ) species(name = "CO2", @@ -2298,7 +2298,7 @@ species(name = "CO2", -9.958285310E-07, 1.603730110E-10, -9.161034680E-15, -4.902493410E+04, -1.935348550E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "CO2+", @@ -2311,7 +2311,7 @@ species(name = "CO2+", -7.345963830E-07, 1.239756650E-10, -7.576922880E-15, 1.116211360E+05, -5.651356980E+00] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "COOH", @@ -2324,7 +2324,7 @@ species(name = "COOH", -1.481948170E-06, 2.398752780E-10, -1.439029650E-14, -2.767087860E+04, -2.235286310E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "CP", @@ -2337,7 +2337,7 @@ species(name = "CP", 6.305100950E-07, -1.652489160E-10, 1.252485420E-14, 6.121210160E+04, 2.057622880E+00] ) ) - note = "L 9/93" + # note = "L 9/93" ) species(name = "CS", @@ -2350,7 +2350,7 @@ species(name = "CS", -3.643637400E-07, 6.385429400E-11, -3.693398200E-15, 3.249749000E+04, 3.898416790E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "CS2", @@ -2363,7 +2363,7 @@ species(name = "CS2", -7.558538000E-07, 1.460507300E-10, -1.043859500E-14, 1.204807100E+04, -6.058932290E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "C2", @@ -2376,7 +2376,7 @@ species(name = "C2", 1.572508900E-07, -4.240421020E-11, 3.250557140E-15, 9.892280660E+04, 7.974210150E-01] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "C2+", @@ -2389,7 +2389,7 @@ species(name = "C2+", -1.153627120E-06, 1.285227900E-10, -4.371609390E-15, 2.408015850E+05, 1.565709560E+01] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "C2-", @@ -2402,7 +2402,7 @@ species(name = "C2-", -1.214013170E-06, 1.868363260E-10, -1.034476990E-14, 5.726966690E+04, 1.200325300E+01] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "C2CL2", @@ -2415,7 +2415,7 @@ species(name = "C2CL2", -9.655250500E-07, 1.773614800E-10, -1.213520300E-14, 2.251019000E+04, -1.490359050E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "C2CL4", @@ -2428,7 +2428,7 @@ species(name = "C2CL4", -1.506719400E-06, 2.934699300E-10, -2.107089600E-14, -5.893233700E+03, -3.468070290E+01] ) ) - note = "L10/87" + # note = "L10/87" ) species(name = "C2CL6", @@ -2441,7 +2441,7 @@ species(name = "C2CL6", -1.511528900E-06, 2.970031500E-10, -2.145382700E-14, -2.310380300E+04, -6.285292840E+01] ) ) - note = "L10/87" + # note = "L10/87" ) species(name = "C2F2", @@ -2454,7 +2454,7 @@ species(name = "C2F2", -1.331138500E-06, 2.496004900E-10, -1.734207200E-14, -1.610765500E+02, -1.506806220E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "C2F4", @@ -2467,7 +2467,7 @@ species(name = "C2F4", -2.235440000E-06, 4.216684600E-10, -2.943391400E-14, -8.329288400E+04, -2.986688100E+01] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "C2H", @@ -2480,7 +2480,7 @@ species(name = "C2H", -1.627722180E-06, 2.605566630E-10, -1.529393050E-14, 6.704922140E+04, 5.571275420E+00] ) ) - note = "L 1/91" + # note = "L 1/91" ) species(name = "C2HCL", @@ -2493,7 +2493,7 @@ species(name = "C2HCL", -1.486460600E-06, 2.656137900E-10, -1.795246600E-14, 2.344047800E+04, -8.284650860E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "C2HF", @@ -2506,7 +2506,7 @@ species(name = "C2HF", -1.471143800E-06, 2.529464100E-10, -1.644666300E-14, 1.297690700E+04, -8.315342930E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "CHCO,ketyl", @@ -2519,7 +2519,7 @@ species(name = "CHCO,ketyl", -1.666188440E-06, 2.614052040E-10, -1.532579630E-14, 1.788047600E+04, 3.978743200E+00] ) ) - note = "L 6/89" + # note = "L 6/89" ) species(name = "C2H2,acetylene", @@ -2532,7 +2532,7 @@ species(name = "C2H2,acetylene", -1.608287750E-06, 2.469742260E-10, -1.386056800E-14, 2.575940440E+04, -3.998347720E+00] ) ) - note = "L 1/91" + # note = "L 1/91" ) species(name = "C2H2,vinylidene", @@ -2545,7 +2545,7 @@ species(name = "C2H2,vinylidene", -1.630075130E-06, 2.546229810E-10, -1.488603260E-14, 4.831667220E+04, 6.400226000E-01] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "CH2CO,ketene", @@ -2558,7 +2558,7 @@ species(name = "CH2CO,ketene", -2.258148350E-06, 3.620267330E-10, -2.156512040E-14, -7.978783840E+03, -6.107721500E+00] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "C2H3,vinyl", @@ -2571,7 +2571,7 @@ species(name = "C2H3,vinyl", -2.643145860E-06, 4.212859060E-10, -2.498961190E-14, 3.415461810E+04, 5.716765290E-01] ) ) - note = "L 2/92" + # note = "L 2/92" ) species(name = "CH3CN", @@ -2584,7 +2584,7 @@ species(name = "CH3CN", -3.484849460E-06, 5.621067600E-10, -3.362346700E-14, 5.458530740E+03, -3.265539030E+00] ) ) - note = "L12/92" + # note = "L12/92" ) species(name = "CH3CO,acetyl", @@ -2597,7 +2597,7 @@ species(name = "CH3CO,acetyl", -2.854147200E-06, 4.238376300E-10, -2.268403700E-14, -5.187863300E+03, -3.261781930E+00] ) ) - note = "BUR 84" + # note = "BUR 84" ) species(name = "C2H4", @@ -2610,7 +2610,7 @@ species(name = "C2H4", -3.717213850E-06, 5.946285140E-10, -3.536305260E-14, 4.268658190E+03, -2.690521510E-01] ) ) - note = "L 1/91" + # note = "L 1/91" ) species(name = "C2H4O,ethylen", @@ -2623,7 +2623,7 @@ species(name = "C2H4O,ethylen", -4.333615450E-06, 7.002690000E-10, -4.194818700E-14, -9.180475760E+03, -7.080638680E+00] ) ) - note = "o L 8/88" + # note = "o L 8/88" ) species(name = "CH3CHO,ethanal", @@ -2636,7 +2636,7 @@ species(name = "CH3CHO,ethanal", -4.226268300E-06, 6.837157330E-10, -4.098426760E-14, -2.259315080E+04, -3.481175930E+00] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "CH3COOH", @@ -2649,7 +2649,7 @@ species(name = "CH3COOH", -5.258746880E-06, 8.931850620E-10, -5.531808910E-14, -5.575609710E+04, -1.546765900E+01] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "(HCOOH)2", @@ -2662,7 +2662,7 @@ species(name = "(HCOOH)2", -4.684036900E-06, 7.051166300E-10, -3.836928500E-14, -1.039593800E+05, -3.570980540E+01] ) ) - note = "BUR 92" + # note = "BUR 92" ) species(name = "C2H5", @@ -2675,7 +2675,7 @@ species(name = "C2H5", -4.413838290E-06, 7.065269430E-10, -4.203418560E-14, 1.205642000E+04, 8.452996230E-01] ) ) - note = "L12/92" + # note = "L12/92" ) species(name = "C2H6", @@ -2688,7 +2688,7 @@ species(name = "C2H6", -5.470393210E-06, 8.778262280E-10, -5.231673050E-14, -1.244735120E+04, -9.686836070E-01] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "CH3N2CH3", @@ -2701,7 +2701,7 @@ species(name = "CH3N2CH3", -6.273824530E-06, 1.013511780E-09, -6.069374940E-14, 1.419799780E+04, -1.415676380E+01] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "CH3OCH3", @@ -2714,7 +2714,7 @@ species(name = "CH3OCH3", -5.868023670E-06, 9.468368690E-10, -5.665047380E-14, -2.510746900E+04, -5.962649390E+00] ) ) - note = "L12/92" + # note = "L12/92" ) species(name = "C2H5OH", @@ -2727,7 +2727,7 @@ species(name = "C2H5OH", -5.389222470E-06, 8.621502240E-10, -5.128246830E-14, -3.152579840E+04, -9.475576440E+00] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "CCN", @@ -2740,7 +2740,7 @@ species(name = "CCN", -7.430079930E-07, 1.256541670E-10, -7.704200350E-15, 9.490280650E+04, -3.703806370E+00] ) ) - note = "L12/92" + # note = "L12/92" ) species(name = "CNC", @@ -2753,7 +2753,7 @@ species(name = "CNC", -6.123335320E-07, 1.038696100E-10, -6.431618970E-15, 8.033268330E+04, -6.602071570E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "C2N2", @@ -2766,7 +2766,7 @@ species(name = "C2N2", -1.309342500E-06, 2.164110610E-10, -1.311874100E-14, 3.486080050E+04, -1.048036950E+01] ) ) - note = "TPIS79" + # note = "TPIS79" ) species(name = "C2O", @@ -2779,7 +2779,7 @@ species(name = "C2O", -7.011597570E-07, 1.215052910E-10, -7.767788550E-15, 3.309704580E+04, -4.276361380E+00] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "C3", @@ -2792,7 +2792,7 @@ species(name = "C3", -1.072920740E-06, 2.607352590E-10, -2.016319600E-14, 9.939654160E+04, 3.893693080E-01] ) ) - note = "TPIS79" + # note = "TPIS79" ) species(name = "C3H3,propargyl", @@ -2805,7 +2805,7 @@ species(name = "C3H3,propargyl", -2.847878870E-06, 4.535259770E-10, -2.688798150E-14, 3.897936990E+04, -1.040042550E+01] ) ) - note = "BUR 92" + # note = "BUR 92" ) species(name = "C3H4,allene", @@ -2818,7 +2818,7 @@ species(name = "C3H4,allene", -3.962890180E-06, 6.356337750E-10, -3.787498850E-14, 2.011746170E+04, -1.097188620E+01] ) ) - note = "L12/92" + # note = "L12/92" ) species(name = "C3H4,propyne", @@ -2831,7 +2831,7 @@ species(name = "C3H4,propyne", -4.022290480E-06, 6.437513650E-10, -3.829900820E-14, 1.951017920E+04, -8.589125920E+00] ) ) - note = "L12/92" + # note = "L12/92" ) species(name = "C3H4,cyclo-", @@ -2844,7 +2844,7 @@ species(name = "C3H4,cyclo-", -4.019575260E-06, 6.469206480E-10, -3.864332480E-14, 3.034150860E+04, -1.114199450E+01] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "C3H5,allyl", @@ -2857,7 +2857,7 @@ species(name = "C3H5,allyl", -4.783331000E-06, 7.719498140E-10, -4.619308080E-14, 1.727147070E+04, -9.274868410E+00] ) ) - note = "BUR 92" + # note = "BUR 92" ) species(name = "C3H6,propylene", @@ -2870,7 +2870,7 @@ species(name = "C3H6,propylene", -5.821306240E-06, 9.359364830E-10, -5.586029030E-14, -7.765950920E+02, -8.438243220E+00] ) ) - note = "L 7/90" + # note = "L 7/90" ) species(name = "C3H6,cyclo-", @@ -2883,7 +2883,7 @@ species(name = "C3H6,cyclo-", -5.900759610E-06, 9.480954730E-10, -5.656617370E-14, 2.959375550E+03, -1.360406070E+01] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C3H6O", @@ -2896,7 +2896,7 @@ species(name = "C3H6O", -6.254364630E-06, 1.009754570E-09, -6.044889530E-14, -1.528676830E+04, -1.841841330E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C3H7,n-propyl", @@ -2909,7 +2909,7 @@ species(name = "C3H7,n-propyl", -6.233700550E-06, 9.985297350E-10, -5.943947930E-14, 8.542443580E+03, -1.148314780E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C3H7,i-propyl", @@ -2922,7 +2922,7 @@ species(name = "C3H7,i-propyl", -6.701919760E-06, 1.077518710E-09, -6.430908850E-14, 7.979772930E+03, -4.913593550E+00] ) ) - note = "L 9/85" + # note = "L 9/85" ) species(name = "C3H8", @@ -2935,7 +2935,7 @@ species(name = "C3H8", -7.365530270E-06, 1.184407610E-09, -7.069532100E-14, -1.627485210E+04, -1.318595030E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C3H8O,1propanol", @@ -2948,7 +2948,7 @@ species(name = "C3H8O,1propanol", -7.384808980E-06, 1.181889770E-09, -7.035977830E-14, -3.512440240E+04, -1.889654530E+01] ) ) - note = "L 9/88" + # note = "L 9/88" ) species(name = "C3H8O,2propanol", @@ -2961,7 +2961,7 @@ species(name = "C3H8O,2propanol", -7.119483640E-06, 1.141363550E-09, -6.799216670E-14, -3.748400950E+04, -2.563460740E+01] ) ) - note = "L 9/88" + # note = "L 9/88" ) species(name = "C3O2", @@ -2974,7 +2974,7 @@ species(name = "C3O2", -1.809307590E-06, 3.007870800E-10, -1.837221620E-14, -1.432716540E+04, -1.706056880E+01] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "C4", @@ -2987,7 +2987,7 @@ species(name = "C4", -1.504056420E-06, 2.028723570E-10, -1.003456870E-14, 1.225008790E+05, -2.989547310E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "C4H2", @@ -3000,7 +3000,7 @@ species(name = "C4H2", -2.353550600E-06, 3.736353660E-10, -2.210540430E-14, 5.100169780E+04, -2.180020500E+01] ) ) - note = "L 2/93" + # note = "L 2/93" ) species(name = "C4H4,1,3-cyclo-", @@ -3013,7 +3013,7 @@ species(name = "C4H4,1,3-cyclo-", -4.523370470E-06, 7.331204430E-10, -4.401108640E-14, 4.251084940E+04, -2.112844830E+01] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "C4H6,butadiene", @@ -3026,7 +3026,7 @@ species(name = "C4H6,butadiene", 1.143557330E-06, -2.079257480E-10, 7.577135510E-15, 6.517082210E+03, -6.282041450E+01] ) ) - note = "X10/92" + # note = "X10/92" ) species(name = "C4H6,2-butyne", @@ -3039,7 +3039,7 @@ species(name = "C4H6,2-butyne", -6.823591040E-06, 1.119104850E-09, -6.767831130E-14, 1.403095580E+04, -1.220842830E+01] ) ) - note = "X10/88" + # note = "X10/88" ) species(name = "C4H6,cyclo-", @@ -3052,7 +3052,7 @@ species(name = "C4H6,cyclo-", -6.531866440E-06, 1.058421230E-09, -6.352539390E-14, 1.461534610E+04, -2.089802570E+01] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "C4H8,1-butene", @@ -3065,7 +3065,7 @@ species(name = "C4H8,1-butene", -8.312840330E-06, 1.378030720E-09, -8.421754590E-14, -4.308521530E+03, -1.711706970E+01] ) ) - note = "X 4/88" + # note = "X 4/88" ) species(name = "C4H8,cis2-buten", @@ -3078,7 +3078,7 @@ species(name = "C4H8,cis2-buten", -8.644830790E-06, 1.431601070E-09, -8.737626420E-14, -4.923202660E+03, -1.287093170E+01] ) ) - note = "X 4/88" + # note = "X 4/88" ) species(name = "C4H8,tr2-butene", @@ -3091,7 +3091,7 @@ species(name = "C4H8,tr2-butene", -8.494248640E-06, 1.411525540E-09, -8.647517570E-14, -5.401028150E+03, -1.619870800E+01] ) ) - note = "X 4/88" + # note = "X 4/88" ) species(name = "C4H8,isobutene", @@ -3104,7 +3104,7 @@ species(name = "C4H8,isobutene", -8.365175490E-06, 1.390762500E-09, -8.533299690E-14, -6.163563220E+03, -1.765407190E+01] ) ) - note = "X 4/88" + # note = "X 4/88" ) species(name = "C4H8,cyclo-", @@ -3117,7 +3117,7 @@ species(name = "C4H8,cyclo-", -8.259837580E-06, 1.334123890E-09, -7.993633020E-14, -1.176720080E+03, -2.191482110E+01] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "(CH3COOH)2", @@ -3130,7 +3130,7 @@ species(name = "(CH3COOH)2", -9.460983580E-06, 1.533376160E-09, -9.204765450E-14, -1.190391410E+05, -5.110976170E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C4H9,n-butyl", @@ -3143,7 +3143,7 @@ species(name = "C4H9,n-butyl", -8.642709850E-06, 1.427705150E-09, -8.702037160E-14, 3.377029090E+03, -2.156005600E+01] ) ) - note = "X10/84" + # note = "X10/84" ) species(name = "C4H9,i-butyl", @@ -3156,7 +3156,7 @@ species(name = "C4H9,i-butyl", -8.535991820E-06, 1.397483550E-09, -8.440574560E-14, 2.142148620E+03, -2.422079940E+01] ) ) - note = "X10/84" + # note = "X10/84" ) species(name = "C4H9,s-butyl", @@ -3169,7 +3169,7 @@ species(name = "C4H9,s-butyl", -8.560357830E-06, 1.377351600E-09, -8.224960050E-14, 3.964842530E+03, -1.698768750E+01] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C4H9,t-butyl", @@ -3182,7 +3182,7 @@ species(name = "C4H9,t-butyl", -9.371631110E-06, 1.518458900E-09, -9.111908630E-14, 2.008613230E+03, -9.205814400E+00] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C4H10,isobutane", @@ -3195,7 +3195,7 @@ species(name = "C4H10,isobutane", -9.141429320E-06, 1.473282710E-09, -8.808001880E-14, -2.140526470E+04, -3.003291010E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C4H10,n-butane", @@ -3208,7 +3208,7 @@ species(name = "C4H10,n-butane", -9.236191220E-06, 1.486327550E-09, -8.878971580E-14, -2.013821650E+04, -2.634700760E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C4N2", @@ -3221,7 +3221,7 @@ species(name = "C4N2", -2.127455470E-06, 3.523231960E-10, -2.146317290E-14, 6.046206300E+04, -2.722665020E+01] ) ) - note = "J 3/61" + # note = "J 3/61" ) species(name = "C5", @@ -3234,7 +3234,7 @@ species(name = "C5", -1.475580140E-06, 2.480488330E-10, -1.526602530E-14, 1.230535170E+05, -2.371379800E+01] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "C5H6,1,3cyclo-", @@ -3247,7 +3247,7 @@ species(name = "C5H6,1,3cyclo-", -6.841103000E-06, 1.109921170E-09, -6.667914270E-14, 1.108167270E+04, -3.220968920E+01] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "C5H8,cyclo-", @@ -3260,7 +3260,7 @@ species(name = "C5H8,cyclo-", -8.720895030E-06, 1.411908680E-09, -8.472678480E-14, -1.292550320E+03, -3.012256060E+01] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C5H10,1-pentene", @@ -3273,7 +3273,7 @@ species(name = "C5H10,1-pentene", -9.259887010E-06, 1.514978850E-09, -9.178839390E-14, -8.462748390E+03, -3.543756190E+01] ) ) - note = "X 4/87" + # note = "X 4/87" ) species(name = "C5H10,cyclo-", @@ -3286,7 +3286,7 @@ species(name = "C5H10,cyclo-", -1.091691370E-05, 1.772987670E-09, -1.065752480E-13, -1.515973720E+04, -2.926188280E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C5H11,pentyl", @@ -3299,7 +3299,7 @@ species(name = "C5H11,pentyl", -1.097727140E-05, 1.827088950E-09, -1.119960260E-13, -2.397641670E+02, -3.103959100E+01] ) ) - note = "X10/84" + # note = "X10/84" ) species(name = "C5H11,t-pentyl", @@ -3312,7 +3312,7 @@ species(name = "C5H11,t-pentyl", -1.124785860E-05, 1.820906580E-09, -1.092053950E-13, -1.600694980E+03, -2.061419740E+01] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C5H12,n-pentane", @@ -3325,7 +3325,7 @@ species(name = "C5H12,n-pentane", -9.417464800E-06, 1.389358900E-09, -7.421260900E-14, -2.457768000E+04, -4.702117500E+01] ) ) - note = "X10/85" + # note = "X10/85" ) species(name = "C5H12,i-pentane", @@ -3338,7 +3338,7 @@ species(name = "C5H12,i-pentane", -9.841578500E-06, 1.391977600E-09, -7.033734500E-14, -2.503749200E+04, -4.113349400E+01] ) ) - note = "X10/85" + # note = "X10/85" ) species(name = "CH3C(CH3)2CH3", @@ -3351,7 +3351,7 @@ species(name = "CH3C(CH3)2CH3", -1.103996700E-05, 1.477772100E-09, -6.846704200E-14, -2.580671100E+04, -3.375698400E+01] ) ) - note = "X10/85" + # note = "X10/85" ) species(name = "C6H2", @@ -3364,7 +3364,7 @@ species(name = "C6H2", -3.136631730E-06, 5.043459080E-10, -3.011097000E-14, 7.607710370E+04, -3.885012450E+01] ) ) - note = "L 2/93" + # note = "L 2/93" ) species(name = "C6H5,phenyl", @@ -3377,7 +3377,7 @@ species(name = "C6H5,phenyl", -6.699859510E-06, 1.092256200E-09, -6.584144390E-14, 3.520403280E+04, -3.501468370E+01] ) ) - note = "L 1/91" + # note = "L 1/91" ) species(name = "C6D5", @@ -3390,7 +3390,7 @@ species(name = "C6D5", -5.524163500E-06, 8.798457500E-10, -5.097921700E-14, 3.028262900E+04, -5.575496400E+01] ) ) - note = "L12/84" + # note = "L12/84" ) species(name = "C6H5O,phenoxy", @@ -3403,7 +3403,7 @@ species(name = "C6H5O,phenoxy", -6.946955920E-06, 1.134421720E-09, -6.846342030E-14, -4.729682660E+02, -4.671072250E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C6H6", @@ -3416,7 +3416,7 @@ species(name = "C6H6", -7.516251000E-06, 1.222094160E-09, -7.353125130E-14, 4.309883950E+03, -4.001169500E+01] ) ) - note = "L 1/91" + # note = "L 1/91" ) species(name = "C6D6", @@ -3429,7 +3429,7 @@ species(name = "C6D6", -6.201275900E-06, 9.849305800E-10, -5.689155700E-14, -1.443305200E+02, -6.388818900E+01] ) ) - note = "L12/84" + # note = "L12/84" ) species(name = "C6H5OH,phenol", @@ -3442,7 +3442,7 @@ species(name = "C6H5OH,phenol", -7.182171320E-06, 1.162286800E-09, -6.971458400E-14, -1.812873420E+04, -5.179914120E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C6H10,cyclo-", @@ -3455,7 +3455,7 @@ species(name = "C6H10,cyclo-", -1.123472620E-05, 1.826320450E-09, -1.098556830E-13, -7.202632330E+03, -4.265579330E+01] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C6H12,1-hexene", @@ -3468,7 +3468,7 @@ species(name = "C6H12,1-hexene", -1.054111890E-05, 1.721313940E-09, -1.042188530E-13, -1.248615900E+04, -5.193517580E+01] ) ) - note = "X 4/87" + # note = "X 4/87" ) species(name = "C6H12,cyclo-", @@ -3481,7 +3481,7 @@ species(name = "C6H12,cyclo-", -1.321105950E-05, 2.172022540E-09, -1.317305400E-13, -2.280919540E+04, -5.535264640E+01] ) ) - note = "L 6/90" + # note = "L 6/90" ) species(name = "C6H13,n-hexyl", @@ -3494,7 +3494,7 @@ species(name = "C6H13,n-hexyl", -1.268361030E-05, 2.093659020E-09, -1.276279850E-13, -4.069078900E+03, -4.396438240E+01] ) ) - note = "X10/83" + # note = "X10/83" ) species(name = "C7H7,benzyl", @@ -3507,7 +3507,7 @@ species(name = "C7H7,benzyl", -8.537869990E-06, 1.389145230E-09, -8.361836590E-14, 1.856436970E+04, -5.166323940E+01] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C7H8", @@ -3520,7 +3520,7 @@ species(name = "C7H8", -9.684201080E-06, 1.573921400E-09, -9.466704820E-14, -6.770357690E+02, -4.672553020E+01] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C7H8O,cresol", @@ -3533,7 +3533,7 @@ species(name = "C7H8O,cresol", -9.187812490E-06, 1.487726750E-09, -8.926171800E-14, -2.361167750E+04, -6.193862240E+01] ) ) - note = "mx L 1/93" + # note = "mx L 1/93" ) species(name = "C7H14,1-heptene", @@ -3546,7 +3546,7 @@ species(name = "C7H14,1-heptene", -1.181503300E-05, 1.925132780E-09, -1.164418860E-13, -1.651420440E+04, -6.830951380E+01] ) ) - note = "X 4/87" + # note = "X 4/87" ) species(name = "C7H15,n-heptyl", @@ -3559,7 +3559,7 @@ species(name = "C7H15,n-heptyl", -1.478231880E-05, 2.444145600E-09, -1.491603740E-13, -7.763109200E+03, -5.495318280E+01] ) ) - note = "X10/83" + # note = "X10/83" ) species(name = "C7H16,n-heptane", @@ -3572,7 +3572,7 @@ species(name = "C7H16,n-heptane", -1.380302680E-05, 2.224038740E-09, -1.334525800E-13, -3.195007830E+04, -7.019028400E+01] ) ) - note = "X10/85" + # note = "X10/85" ) species(name = "C8H8,styrene", @@ -3585,7 +3585,7 @@ species(name = "C8H8,styrene", -9.902445610E-06, 1.637591410E-09, -9.984489720E-14, 1.008478040E+04, -6.094193190E+01] ) ) - note = "X 4/89" + # note = "X 4/89" ) species(name = "C8H10,ethylbenz", @@ -3598,7 +3598,7 @@ species(name = "C8H10,ethylbenz", -1.190027230E-05, 1.967925420E-09, -1.199111640E-13, -4.411575160E+03, -5.910438770E+01] ) ) - note = "X10/86" + # note = "X10/86" ) species(name = "C8H16,1-octene", @@ -3611,7 +3611,7 @@ species(name = "C8H16,1-octene", -1.298304820E-05, 2.108546370E-09, -1.272941580E-13, -2.061098350E+04, -8.553371700E+01] ) ) - note = "X 4/87" + # note = "X 4/87" ) species(name = "C8H17,n-octyl", @@ -3624,7 +3624,7 @@ species(name = "C8H17,n-octyl", -1.687901260E-05, 2.794224770E-09, -1.706638860E-13, -1.145925780E+04, -6.596222060E+01] ) ) - note = "X10/83" + # note = "X10/83" ) species(name = "C8H18,isooctane", @@ -3637,7 +3637,7 @@ species(name = "C8H18,isooctane", -1.952670720E-05, 3.117791720E-09, -1.853125770E-13, -3.587579730E+04, -6.011614140E+01] ) ) - note = "X 4/85" + # note = "X 4/85" ) species(name = "C8H18,n-octane", @@ -3650,7 +3650,7 @@ species(name = "C8H18,n-octane", -1.491611030E-05, 2.403766730E-09, -1.443590370E-13, -3.610309440E+04, -8.808544570E+01] ) ) - note = "X 4/85" + # note = "X 4/85" ) species(name = "C9H19,n-nonyl", @@ -3663,7 +3663,7 @@ species(name = "C9H19,n-nonyl", -2.143660100E-05, 3.788514400E-09, -2.500298700E-13, -1.437371100E+04, -6.605628600E+01] ) ) - note = "X10/83" + # note = "X10/83" ) species(name = "C10H8,naphthale", @@ -3676,7 +3676,7 @@ species(name = "C10H8,naphthale", -1.112247990E-05, 1.816154060E-09, -1.096012240E-13, 8.915529440E+03, -8.002304790E+01] ) ) - note = "L 8/93" + # note = "L 8/93" ) species(name = "C10H21,n-decyl", @@ -3689,7 +3689,7 @@ species(name = "C10H21,n-decyl", -2.384948300E-05, 4.220911600E-09, -2.788930700E-13, -1.796780900E+04, -7.564378010E+01] ) ) - note = "X10/83" + # note = "X10/83" ) species(name = "C12H9,o-bipheny", @@ -3702,7 +3702,7 @@ species(name = "C12H9,o-bipheny", -1.270207880E-05, 2.081118270E-09, -1.258494800E-13, 4.059050910E+04, -9.577923900E+01] ) ) - note = "L12/84" + # note = "L12/84" ) species(name = "O-C12D9", @@ -3715,7 +3715,7 @@ species(name = "O-C12D9", -1.036654000E-05, 1.659333800E-09, -9.652711600E-14, 3.320778900E+04, -1.351913070E+02] ) ) - note = "L12/84" + # note = "L12/84" ) species(name = "C12H10,bipheny", @@ -3728,7 +3728,7 @@ species(name = "C12H10,bipheny", -1.350162700E-05, 2.208028080E-09, -1.333582230E-13, 1.073944990E+04, -1.005101480E+02] ) ) - note = "L12/84" + # note = "L12/84" ) species(name = "C12D10", @@ -3741,7 +3741,7 @@ species(name = "C12D10", -1.109504800E-05, 1.775581000E-09, -1.033232700E-13, 2.883445300E+03, -1.424389370E+02] ) ) - note = "L12/84" + # note = "L12/84" ) species(name = "Jet-A(g)", @@ -3754,7 +3754,7 @@ species(name = "Jet-A(g)", -3.155097300E-05, 5.787890000E-09, -3.982796800E-13, -4.311068400E+04, -9.365524680E+01] ) ) - note = "L 6/88" + # note = "L 6/88" ) species(name = "Ca", @@ -3767,7 +3767,7 @@ species(name = "Ca", -1.075158620E-06, 3.254578650E-10, -2.646715380E-14, 2.081962100E+04, 7.428783980E+00] ) ) - note = "L 3/93" + # note = "L 3/93" ) species(name = "Ca+", @@ -3780,7 +3780,7 @@ species(name = "Ca+", -2.708439660E-08, 5.135224960E-11, -5.964870480E-15, 9.225963790E+04, 4.253726280E+00] ) ) - note = "J 9/83" + # note = "J 9/83" ) species(name = "CaBr", @@ -3793,7 +3793,7 @@ species(name = "CaBr", -2.454153100E-07, 6.902687400E-11, -5.368419600E-15, -7.246273200E+03, 5.676680590E+00] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "CaBr2", @@ -3806,7 +3806,7 @@ species(name = "CaBr2", -4.246381600E-08, 8.228686500E-12, -5.861705700E-16, -4.853682400E+04, -4.480801620E+00] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "CaCL", @@ -3819,7 +3819,7 @@ species(name = "CaCL", -2.331366100E-07, 6.392179700E-11, -4.866238300E-15, -1.389265600E+04, 4.373374210E+00] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "CaCL2", @@ -3832,7 +3832,7 @@ species(name = "CaCL2", -6.727528500E-08, 1.301413100E-11, -9.256796800E-16, -5.895473100E+04, -7.188520850E+00] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "CaF", @@ -3845,7 +3845,7 @@ species(name = "CaF", -2.610212300E-07, 6.479163500E-11, -4.730395100E-15, -3.402112900E+04, 3.463147570E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "CaF2", @@ -3858,7 +3858,7 @@ species(name = "CaF2", -1.708107000E-07, 3.295284000E-11, -2.338774100E-15, -9.644527900E+04, -5.310721170E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "CaI", @@ -3871,7 +3871,7 @@ species(name = "CaI", -2.744192000E-07, 8.008044100E-11, -6.545160800E-15, -1.906480400E+03, 6.714802350E+00] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "CaI2", @@ -3884,7 +3884,7 @@ species(name = "CaI2", -3.984689300E-08, 7.891835700E-12, -5.735265800E-16, -3.328775200E+04, -2.978445420E+00] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "CaO", @@ -3897,7 +3897,7 @@ species(name = "CaO", 7.696896800E-06, -1.907044300E-09, 1.550923100E-13, 2.324804100E+03, -2.442758250E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "CaOH", @@ -3910,7 +3910,7 @@ species(name = "CaOH", -6.843564800E-07, 1.306019600E-10, -8.913158000E-15, -2.498468100E+04, -2.311085410E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "CaOH+", @@ -3923,7 +3923,7 @@ species(name = "CaOH+", -4.783080800E-07, 7.134721600E-11, -4.129834900E-15, 4.268593300E+04, -3.669811290E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "CaO2H2", @@ -3936,7 +3936,7 @@ species(name = "CaO2H2", -9.321929900E-07, 1.378838600E-10, -7.911198500E-15, -7.627949600E+04, -1.713930390E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "CaS", @@ -3949,7 +3949,7 @@ species(name = "CaS", 4.682913750E-06, -1.407250750E-09, 1.288926680E-13, 1.347418250E+04, -1.431732100E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Ca2", @@ -3962,7 +3962,7 @@ species(name = "Ca2", 2.035409600E-07, -2.771281800E-11, 1.650030460E-15, 4.043823800E+04, 1.371135090E+01] ) ) - note = "J 9/83" + # note = "J 9/83" ) species(name = "CL", @@ -3975,7 +3975,7 @@ species(name = "CL", 1.361393880E-07, -2.170329230E-11, 1.287510250E-15, 1.369703270E+04, 3.113301360E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "CL+", @@ -3988,7 +3988,7 @@ species(name = "CL+", 2.483379200E-07, -3.725078490E-11, 1.984336860E-15, 1.649122340E+05, 2.497313490E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "CL-", @@ -4001,7 +4001,7 @@ species(name = "CL-", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.888341320E+04, 4.200629270E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "CLCN", @@ -4014,7 +4014,7 @@ species(name = "CLCN", -7.741591400E-07, 1.382388200E-10, -9.233486400E-15, 1.474916100E+04, -3.730462450E+00] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "CLF", @@ -4027,7 +4027,7 @@ species(name = "CLF", -2.052338700E-06, 5.216273300E-10, -3.747226200E-14, -6.927882400E+03, 9.316996600E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "CLF3", @@ -4040,7 +4040,7 @@ species(name = "CLF3", -5.089618800E-07, 9.756348900E-11, -6.885873100E-15, -2.207596800E+04, -1.808155490E+01] ) ) - note = "J 9/65" + # note = "J 9/65" ) species(name = "CLO", @@ -4053,7 +4053,7 @@ species(name = "CLO", -1.877820600E-07, 3.509767100E-11, -2.420503800E-15, 1.085322300E+04, 3.618892440E+00] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "CLO2", @@ -4066,7 +4066,7 @@ species(name = "CLO2", -5.437140310E-07, 1.007342950E-10, -6.435437620E-15, 1.063241820E+04, -2.865600820E+00] ) ) - note = "L 7/93" + # note = "L 7/93" ) species(name = "CL2", @@ -4079,7 +4079,7 @@ species(name = "CL2", 2.684448710E-07, -2.434760830E-11, -1.036831480E-15, -1.511018620E+03, -3.445513050E-01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "CL2O", @@ -4092,7 +4092,7 @@ species(name = "CL2O", -2.693325200E-07, 5.107639400E-11, -3.569154500E-15, 8.486053000E+03, -4.936724070E+00] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "Cr", @@ -4105,7 +4105,7 @@ species(name = "Cr", 1.084921940E-06, -2.356436350E-10, 1.863558160E-14, 4.689282020E+04, 3.659139140E+00] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "CrN", @@ -4118,7 +4118,7 @@ species(name = "CrN", -4.407075800E-07, 1.066760100E-10, -8.373142200E-15, 5.947743700E+04, 5.295067570E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "CrO", @@ -4131,7 +4131,7 @@ species(name = "CrO", -2.795679400E-07, 6.000310000E-11, -4.405791600E-15, 2.134669300E+04, 5.551715100E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "CrO2", @@ -4144,7 +4144,7 @@ species(name = "CrO2", -5.492054800E-07, 1.049749100E-10, -7.399548600E-15, -1.104218300E+04, -1.744976320E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "CrO3", @@ -4157,7 +4157,7 @@ species(name = "CrO3", -8.859413100E-07, 1.697628200E-10, -1.198776500E-14, -3.809255700E+04, -1.589589450E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Cs", @@ -4170,7 +4170,7 @@ species(name = "Cs", -9.829157090E-08, 1.275643690E-10, -1.461192710E-14, 8.306393540E+03, 5.008940420E+00] ) ) - note = "L 3/93" + # note = "L 3/93" ) species(name = "Cs+", @@ -4183,7 +4183,7 @@ species(name = "Cs+", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.438739890E+04, 6.182757560E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "CsCL", @@ -4196,7 +4196,7 @@ species(name = "CsCL", -3.998991400E-09, 2.064199500E-13, 2.218464000E-17, -3.023580900E+04, 5.217317080E+00] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "CsF", @@ -4209,7 +4209,7 @@ species(name = "CsF", -2.054765000E-08, 2.981335700E-12, -1.477424500E-16, -4.422799500E+04, 3.873555850E+00] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "CsO", @@ -4222,7 +4222,7 @@ species(name = "CsO", -5.998918700E-09, 1.317669900E-13, 5.763974500E-17, 6.195030900E+03, 5.214548690E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "CsOH", @@ -4235,7 +4235,7 @@ species(name = "CsOH", -3.193909400E-07, 3.864291700E-11, -1.663563600E-15, -3.291920500E+04, -2.118700210E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "CsOH+", @@ -4248,7 +4248,7 @@ species(name = "CsOH+", -3.104443100E-07, 3.709629100E-11, -1.550946300E-15, 5.162648300E+04, -5.764822180E-01] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "Cs2", @@ -4261,7 +4261,7 @@ species(name = "Cs2", 1.319480840E-06, -1.634131860E-10, 6.881259080E-15, 1.080542930E+04, -4.297494650E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "Cs2CL2", @@ -4274,7 +4274,7 @@ species(name = "Cs2CL2", -2.633109700E-08, 4.891214200E-12, -3.355415200E-16, -8.234585500E+04, -1.059806040E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "Cs2F2", @@ -4287,7 +4287,7 @@ species(name = "Cs2F2", -5.090525300E-08, 8.971176200E-12, -5.809096000E-16, -1.100505700E+05, -1.405482170E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "Cs2O", @@ -4300,7 +4300,7 @@ species(name = "Cs2O", -3.806206200E-08, 6.146639300E-12, -3.575821600E-16, -1.316998900E+04, -1.165916890E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "Cs2O2H2", @@ -4313,7 +4313,7 @@ species(name = "Cs2O2H2", -1.878054500E-06, 3.092592500E-10, -1.942953300E-14, -8.602583900E+04, -1.321459430E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "Cs2SO4", @@ -4326,7 +4326,7 @@ species(name = "Cs2SO4", -1.791034100E-06, 3.502465300E-10, -2.521573600E-14, -1.403677500E+05, -4.149218490E+01] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "Cu", @@ -4339,7 +4339,7 @@ species(name = "Cu", 5.720230410E-07, -7.663261770E-11, 2.838814660E-15, 3.961772400E+04, 2.253319440E+00] ) ) - note = "J 9/84" + # note = "J 9/84" ) species(name = "Cu+", @@ -4352,7 +4352,7 @@ species(name = "Cu+", -2.217698480E-10, 4.869379180E-14, -2.390196100E-18, 1.302638540E+05, 1.249511860E+01] ) ) - note = "J 9/84" + # note = "J 9/84" ) species(name = "CuCL", @@ -4365,7 +4365,7 @@ species(name = "CuCL", -5.711070300E-08, 1.129332100E-11, -8.197552000E-16, 9.609726600E+03, 3.392165140E+00] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "CuF", @@ -4378,7 +4378,7 @@ species(name = "CuF", -3.347282000E-07, 8.083736700E-11, -5.783481700E-15, -2.800595300E+03, 3.485645710E+00] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "CuF2", @@ -4391,7 +4391,7 @@ species(name = "CuF2", 2.029177400E-07, -2.545311300E-11, 1.206573200E-16, -3.432274400E+04, -7.128629210E+00] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "CuO", @@ -4404,7 +4404,7 @@ species(name = "CuO", -2.395697900E-07, 6.040531600E-11, -4.245601600E-15, 3.553534900E+04, 3.727018890E+00] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "Cu2", @@ -4417,7 +4417,7 @@ species(name = "Cu2", -6.448979300E-08, 1.406541200E-11, -7.602049400E-16, 5.703813100E+04, 3.785355790E+00] ) ) - note = "J 9/66" + # note = "J 9/66" ) species(name = "Cu3CL3", @@ -4430,7 +4430,7 @@ species(name = "Cu3CL3", -1.946700600E-07, 3.846693800E-11, -2.789970000E-15, -3.588185300E+04, -3.775233450E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "D", @@ -4443,7 +4443,7 @@ species(name = "D", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.592125960E+04, 5.917158270E-01] ) ) - note = "J 3/82" + # note = "J 3/82" ) species(name = "D+", @@ -4456,7 +4456,7 @@ species(name = "D+", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.845119640E+05, -1.018389040E-01] ) ) - note = "J 3/82" + # note = "J 3/82" ) species(name = "D-", @@ -4469,7 +4469,7 @@ species(name = "D-", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.642376670E+04, -1.010239120E-01] ) ) - note = "J 3/82" + # note = "J 3/82" ) species(name = "DCL", @@ -4482,7 +4482,7 @@ species(name = "DCL", -6.332027200E-07, 1.175565800E-10, -8.159991100E-15, -1.217351500E+04, 5.898796740E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "DF", @@ -4495,7 +4495,7 @@ species(name = "DF", -5.170493800E-07, 8.548537100E-11, -5.419602400E-15, -3.393694000E+04, 5.829819810E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "DOCL", @@ -4508,7 +4508,7 @@ species(name = "DOCL", -1.031233100E-06, 1.900545400E-10, -1.268238400E-14, -1.091940200E+04, 2.727159690E+00] ) ) - note = "J 3/79" + # note = "J 3/79" ) species(name = "D2", @@ -4521,7 +4521,7 @@ species(name = "D2", -4.793148480E-07, 7.894962740E-11, -4.883808230E-15, -7.952675040E+02, 1.642662430E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "D2+", @@ -4534,7 +4534,7 @@ species(name = "D2+", -2.426448400E-07, 5.758440900E-11, -6.738056000E-15, 1.790375200E+05, -2.058178850E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "D2-", @@ -4547,7 +4547,7 @@ species(name = "D2-", -3.638796000E-07, 7.070048200E-11, -5.067427200E-15, 2.706470800E+04, -2.819551720E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "D2O", @@ -4560,7 +4560,7 @@ species(name = "D2O", -1.493262600E-06, 2.634977200E-10, -1.764955700E-14, -3.090263800E+04, 7.318201340E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "D2S", @@ -4573,7 +4573,7 @@ species(name = "D2S", -1.420728400E-06, 2.668563900E-10, -1.868473900E-14, -4.214730800E+03, 3.799699690E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "F", @@ -4586,7 +4586,7 @@ species(name = "F", 6.424484570E-08, -1.085887580E-11, 6.708457550E-16, 8.788953500E+03, 4.007291980E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "F+", @@ -4599,7 +4599,7 @@ species(name = "F+", 6.069406390E-08, -8.915300670E-12, 5.475521670E-16, 2.117440950E+05, 4.274808380E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "F-", @@ -4612,7 +4612,7 @@ species(name = "F-", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.142415220E+04, 3.264882850E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "FCN", @@ -4625,7 +4625,7 @@ species(name = "FCN", -9.768276600E-07, 1.781344200E-10, -1.211856700E-14, 2.578078100E+03, -2.872780960E+00] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "FO", @@ -4638,7 +4638,7 @@ species(name = "FO", -2.664820400E-07, 4.961759900E-11, -3.368857100E-15, 1.179819300E+04, 3.328758370E+00] ) ) - note = "J12/66" + # note = "J12/66" ) species(name = "FO2", @@ -4651,7 +4651,7 @@ species(name = "FO2", -5.835537400E-07, 1.093721400E-10, -7.586918100E-15, -3.967867800E+02, -2.067917330E+00] ) ) - note = "J 9/66" + # note = "J 9/66" ) species(name = "F2", @@ -4664,7 +4664,7 @@ species(name = "F2", -1.819829400E-07, -9.174365600E-12, 2.651934720E-15, -1.232386550E+03, 2.041198550E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "F2O", @@ -4677,7 +4677,7 @@ species(name = "F2O", -4.754793700E-07, 9.068314500E-11, -6.375709800E-15, 9.190606500E+02, -5.222105810E+00] ) ) - note = "J12/69" + # note = "J12/69" ) species(name = "FS2F,fluorodisu", @@ -4690,7 +4690,7 @@ species(name = "FS2F,fluorodisu", -3.669728590E-07, 6.314898990E-11, -3.948777640E-15, -4.344485610E+04, -1.736857740E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "Fe", @@ -4703,7 +4703,7 @@ species(name = "Fe", 5.929069980E-07, -1.071894550E-10, 7.480644020E-15, 4.909698730E+04, 3.524438940E+00] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Fe+", @@ -4716,7 +4716,7 @@ species(name = "Fe+", 8.054403440E-09, 1.512290890E-11, -1.433765950E-15, 1.410364550E+05, 2.864769680E+00] ) ) - note = "J 6/84" + # note = "J 6/84" ) species(name = "Fe-", @@ -4729,7 +4729,7 @@ species(name = "Fe-", 3.124262410E-07, -5.200683550E-11, 3.178752410E-15, 4.635643070E+04, 2.768024210E+00] ) ) - note = "J 6/84" + # note = "J 6/84" ) species(name = "FeC5O5", @@ -4742,7 +4742,7 @@ species(name = "FeC5O5", -4.331093600E-06, 8.204749700E-10, -5.777387400E-14, -9.488893400E+04, -7.207365200E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "FeCL", @@ -4755,7 +4755,7 @@ species(name = "FeCL", -2.084017500E-08, -1.762655600E-12, 5.231381400E-16, 2.879034400E+04, 4.193555060E+00] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "FeCL2", @@ -4768,7 +4768,7 @@ species(name = "FeCL2", 7.022120700E-08, -6.147549000E-11, 6.793314300E-15, -1.904583200E+04, -3.759514410E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "FeCL3", @@ -4781,7 +4781,7 @@ species(name = "FeCL3", -1.031399400E-07, 1.920742600E-11, -1.317929900E-15, -3.343957000E+04, -1.454914630E+01] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "FeO", @@ -4794,7 +4794,7 @@ species(name = "FeO", -8.942673600E-08, 3.185591100E-11, -3.392254300E-15, 2.882917000E+04, 4.830431590E+00] ) ) - note = "J 9/66" + # note = "J 9/66" ) species(name = "Fe(OH)2", @@ -4807,7 +4807,7 @@ species(name = "Fe(OH)2", -1.610174430E-06, 2.683470760E-10, -1.634973050E-14, -4.279943580E+04, -1.869123670E+01] ) ) - note = "J12/66" + # note = "J12/66" ) species(name = "Fe2CL4", @@ -4820,7 +4820,7 @@ species(name = "Fe2CL4", 2.081773000E-08, -5.158055900E-11, 6.067349500E-15, -5.651003700E+04, -3.189658710E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "Fe2CL6", @@ -4833,7 +4833,7 @@ species(name = "Fe2CL6", -1.849520780E-07, 3.201430430E-11, -2.010027370E-15, -8.524323750E+04, -5.865381850E+01] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "H", @@ -4846,7 +4846,7 @@ species(name = "H", 3.632517230E-12, -9.199497200E-16, 7.952607460E-20, 2.547365890E+04, -4.466984940E-01] ) ) - note = "L 5/93" + # note = "L 5/93" ) species(name = "H+", @@ -4859,7 +4859,7 @@ species(name = "H+", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.840214280E+05, -1.140644530E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "H-", @@ -4872,7 +4872,7 @@ species(name = "H-", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.597616700E+04, -1.139015980E+00] ) ) - note = "L/7/88" + # note = "L/7/88" ) species(name = "HALO", @@ -4885,7 +4885,7 @@ species(name = "HALO", -9.399329460E-07, 1.593910040E-10, -9.867473170E-15, 2.050094590E+03, -4.614507910E+00] ) ) - note = "J 3/64" + # note = "J 3/64" ) species(name = "HBO", @@ -4898,7 +4898,7 @@ species(name = "HBO", -1.463540900E-06, 2.651990300E-10, -1.783427500E-14, -2.522579800E+04, 1.746477570E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "HBO+", @@ -4911,7 +4911,7 @@ species(name = "HBO+", -1.278708400E-06, 2.218060400E-10, -1.475719200E-14, 1.413599800E+05, 1.998895970E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "HBO-", @@ -4924,7 +4924,7 @@ species(name = "HBO-", -1.238710700E-06, 2.469333500E-10, -1.845504800E-14, -3.093002600E+04, 2.780142470E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "HBO2", @@ -4937,7 +4937,7 @@ species(name = "HBO2", -1.806349400E-06, 3.149288900E-10, -2.073831200E-14, -6.924883800E+04, 9.863917670E-03] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "HBS", @@ -4950,7 +4950,7 @@ species(name = "HBS", -1.193823000E-06, 2.119583200E-10, -1.346609700E-14, 4.440297500E+03, -6.467831740E-01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "HBS+", @@ -4963,7 +4963,7 @@ species(name = "HBS+", -1.163308800E-06, 2.176883900E-10, -1.510868600E-14, 1.341913900E+05, -8.374721460E-01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "HBr", @@ -4976,7 +4976,7 @@ species(name = "HBr", -5.617106400E-07, 9.578314200E-11, -6.181399000E-15, -5.233838400E+03, 7.655534030E+00] ) ) - note = "J 9/65" + # note = "J 9/65" ) species(name = "HCN", @@ -4989,7 +4989,7 @@ species(name = "HCN", -1.063156980E-06, 1.661853950E-10, -9.798917890E-15, 1.491048290E+04, 1.575035840E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "HCO", @@ -5002,7 +5002,7 @@ species(name = "HCO", -1.124298760E-06, 1.863080850E-10, -1.139518280E-14, 3.712090480E+03, 5.061474060E+00] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "HCO+", @@ -5015,7 +5015,7 @@ species(name = "HCO+", -1.239712100E-06, 2.118938800E-10, -1.370415000E-14, 9.888407800E+04, 2.078613570E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "HCCN", @@ -5028,7 +5028,7 @@ species(name = "HCCN", -1.246030800E-06, 2.007644860E-10, -1.200445470E-14, 7.113470860E+04, -9.865561410E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "HCL", @@ -5041,7 +5041,7 @@ species(name = "HCL", -4.699300000E-07, 7.349940800E-11, -4.373110600E-15, -1.191746800E+04, 6.471506290E+00] ) ) - note = "J 9/64" + # note = "J 9/64" ) species(name = "HD", @@ -5054,7 +5054,7 @@ species(name = "HD", -2.443380500E-07, 2.905083400E-11, -1.162153100E-15, -7.618246500E+02, 9.801439970E-01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "HD+", @@ -5067,7 +5067,7 @@ species(name = "HD+", -3.444946300E-07, 7.672268200E-11, -8.094813300E-15, 1.789427900E+05, -4.786072120E-01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "HD-", @@ -5080,7 +5080,7 @@ species(name = "HD-", -4.728871400E-07, 9.105963700E-11, -6.486292600E-15, 2.715773400E+04, -2.231104610E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "HDO", @@ -5093,7 +5093,7 @@ species(name = "HDO", -1.202600300E-06, 1.960720900E-10, -1.235262000E-14, -3.037286900E+04, 7.983599260E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "HF", @@ -5106,7 +5106,7 @@ species(name = "HF", -6.863097300E-08, -1.161713000E-11, 1.941237500E-15, -3.362136400E+04, 3.825495270E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "HI", @@ -5119,7 +5119,7 @@ species(name = "HI", -5.922763200E-07, 1.053709400E-10, -7.037511600E-15, 2.250865900E+03, 7.864470510E+00] ) ) - note = "J 9/61" + # note = "J 9/61" ) species(name = "HNC", @@ -5132,7 +5132,7 @@ species(name = "HNC", -8.584809690E-07, 1.307450020E-10, -7.503397650E-15, 2.201275930E+04, -7.794473580E-02] ) ) - note = "L11/92" + # note = "L11/92" ) species(name = "HNCO", @@ -5145,7 +5145,7 @@ species(name = "HNCO", -1.412903480E-06, 2.244282340E-10, -1.328593800E-14, -1.416537590E+04, -3.087631300E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "HNO", @@ -5158,7 +5158,7 @@ species(name = "HNO", -3.943502820E-07, -3.857874910E-11, 7.080919310E-15, 1.119441690E+04, 7.647646950E+00] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "HNO2", @@ -5171,7 +5171,7 @@ species(name = "HNO2", -1.292934510E-06, 2.068929320E-10, -1.231548550E-14, -1.156555260E+04, -4.055385250E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "HNO3", @@ -5184,7 +5184,7 @@ species(name = "HNO3", -1.736487580E-06, 2.936855550E-10, -1.814786730E-14, -1.925630220E+04, -1.609855460E+01] ) ) - note = "L 4/90" + # note = "L 4/90" ) species(name = "HOCL", @@ -5197,7 +5197,7 @@ species(name = "HOCL", -8.384238000E-07, 1.417639800E-10, -8.746999400E-15, -1.036865700E+04, 3.590075560E+00] ) ) - note = "J 3/79" + # note = "J 3/79" ) species(name = "HOF", @@ -5210,7 +5210,7 @@ species(name = "HOF", -8.628355300E-07, 1.420990400E-10, -8.935691500E-15, -1.320906700E+04, 3.349932920E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "HO2", @@ -5223,7 +5223,7 @@ species(name = "HO2", -3.462774080E-07, 1.946578530E-11, 1.762542940E-16, 6.181029640E+01, 2.957677460E+00] ) ) - note = "L 5/89" + # note = "L 5/89" ) species(name = "HSO3F", @@ -5236,7 +5236,7 @@ species(name = "HSO3F", -2.123157200E-06, 3.820834300E-10, -2.580709000E-14, -9.439833400E+04, -2.600550340E+01] ) ) - note = "J 6/72" + # note = "J 6/72" ) species(name = "H2", @@ -5249,7 +5249,7 @@ species(name = "H2", -1.464023350E-07, 1.541003590E-11, -6.888044320E-16, -8.130655970E+02, -1.024328870E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "H2+", @@ -5262,7 +5262,7 @@ species(name = "H2+", 6.691336850E-08, -3.435743730E-11, 1.976265990E-15, 1.786496860E+05, -2.794989490E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "H2-", @@ -5275,7 +5275,7 @@ species(name = "H2-", -5.470559300E-07, 1.043388300E-10, -7.382799800E-15, 2.721618100E+04, -1.982777700E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "HCHO,formaldehy", @@ -5288,7 +5288,7 @@ species(name = "HCHO,formaldehy", -2.250563770E-06, 3.659756800E-10, -2.201494700E-14, -1.447844440E+04, 6.042094490E+00] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "HCOOH", @@ -5301,7 +5301,7 @@ species(name = "HCOOH", -3.180378080E-06, 5.579494660E-10, -3.526182260E-14, -4.815997230E+04, -6.016800800E+00] ) ) - note = "L 8/88" + # note = "L 8/88" ) species(name = "H2F2", @@ -5314,7 +5314,7 @@ species(name = "H2F2", -1.355870700E-06, 2.193092100E-10, -1.371600500E-14, -7.059477700E+04, -6.296058940E-01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "H2O", @@ -5327,7 +5327,7 @@ species(name = "H2O", -7.737696900E-07, 9.443366890E-11, -4.269009590E-15, -2.988589380E+04, 6.882555710E+00] ) ) - note = "L 8/89" + # note = "L 8/89" ) species(name = "H2O+", @@ -5340,7 +5340,7 @@ species(name = "H2O+", -3.763414490E-07, 3.475259000E-11, -1.703356510E-15, 1.169916170E+05, 4.032204410E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "H2O2", @@ -5353,7 +5353,7 @@ species(name = "H2O2", -1.294794790E-06, 1.972817100E-10, -1.134028460E-14, -1.805481210E+04, 7.042784880E-01] ) ) - note = "L 2/93" + # note = "L 2/93" ) species(name = "H2S", @@ -5366,7 +5366,7 @@ species(name = "H2S", -1.538451000E-06, 2.752024900E-10, -1.859209500E-14, -3.419944400E+03, 8.054674500E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "H2SO4", @@ -5379,7 +5379,7 @@ species(name = "H2SO4", -2.921047800E-06, 5.259551300E-10, -3.578941500E-14, -9.247136400E+04, -2.940478200E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "H3B3O6", @@ -5392,7 +5392,7 @@ species(name = "H3B3O6", -5.066961900E-06, 9.030825300E-10, -6.053241000E-14, -2.810409200E+05, -7.967633240E+01] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "H3F3", @@ -5405,7 +5405,7 @@ species(name = "H3F3", -2.545670000E-06, 4.478092900E-10, -2.989427500E-14, -1.087179400E+05, -1.621120100E+01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "H3O+", @@ -5418,7 +5418,7 @@ species(name = "H3O+", -1.839532810E-06, 2.735774390E-10, -1.540939850E-14, 7.097291130E+04, 7.458507790E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "H4F4", @@ -5431,7 +5431,7 @@ species(name = "H4F4", -3.396056900E-06, 5.974365300E-10, -3.988469300E-14, -1.465619300E+05, -2.965460380E+01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "H5F5", @@ -5444,7 +5444,7 @@ species(name = "H5F5", -4.246316300E-06, 7.470318300E-10, -4.987236000E-14, -1.845468600E+05, -4.328139020E+01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "H6F6", @@ -5457,7 +5457,7 @@ species(name = "H6F6", -5.096529300E-06, 8.966158100E-10, -5.985907200E-14, -2.239811000E+05, -5.705914700E+01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "H7F7", @@ -5470,7 +5470,7 @@ species(name = "H7F7", -5.946957600E-06, 1.046253200E-09, -6.985035100E-14, -2.606424800E+05, -7.095210600E+01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "He", @@ -5483,7 +5483,7 @@ species(name = "He", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 9.287247240E-01] ) ) - note = "L10/90" + # note = "L10/90" ) species(name = "He+", @@ -5496,7 +5496,7 @@ species(name = "He+", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.853150860E+05, 1.621666840E+00] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "Hg", @@ -5509,7 +5509,7 @@ species(name = "Hg", 1.389108490E-08, -3.935429200E-12, 3.909592190E-16, 6.633580640E+03, 6.748479660E+00] ) ) - note = "J 9/84" + # note = "J 9/84" ) species(name = "HgBr2", @@ -5522,7 +5522,7 @@ species(name = "HgBr2", -2.991030700E-08, 4.849822800E-12, -2.793093300E-16, -1.252202000E+04, -3.867339710E+00] ) ) - note = "J 3/62" + # note = "J 3/62" ) species(name = "I", @@ -5535,7 +5535,7 @@ species(name = "I", 1.860601500E-07, -3.819274720E-11, 2.520360530E-15, 1.205827900E+04, 6.878966530E+00] ) ) - note = "J 6/82" + # note = "J 6/82" ) species(name = "I2", @@ -5548,7 +5548,7 @@ species(name = "I2", 4.844109770E-07, -1.426321570E-10, 1.149510990E-14, 6.160854320E+03, 5.419582860E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "K", @@ -5561,7 +5561,7 @@ species(name = "K", -4.485518380E-07, 1.362434980E-10, -1.029262680E-14, 1.003488120E+04, 6.315682010E+00] ) ) - note = "L 4/93" + # note = "L 4/93" ) species(name = "K+", @@ -5574,7 +5574,7 @@ species(name = "K+", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.107510510E+04, 4.347404490E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "KBO2", @@ -5587,7 +5587,7 @@ species(name = "KBO2", -1.067156600E-06, 1.985188500E-10, -1.370416800E-14, -8.365383400E+04, -8.492700000E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "KCN", @@ -5600,7 +5600,7 @@ species(name = "KCN", -7.079107400E-07, 1.319924700E-10, -9.190832300E-15, 7.727262800E+03, -3.158834190E+00] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "KCL", @@ -5613,7 +5613,7 @@ species(name = "KCL", -9.171921000E-09, 9.264824200E-13, -1.040791700E-17, -2.717313300E+04, 3.248089950E+00] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "KF", @@ -5626,7 +5626,7 @@ species(name = "KF", -3.609379700E-08, 5.883958700E-12, -3.469404600E-16, -4.065588900E+04, 2.031095850E+00] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "KF2-", @@ -5639,7 +5639,7 @@ species(name = "KF2-", -1.138463000E-07, 2.140768500E-11, -1.482707000E-15, -8.578083900E+04, -1.010327830E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "KH", @@ -5652,7 +5652,7 @@ species(name = "KH", -2.691871500E-07, 5.261730000E-11, -3.787268300E-15, 1.350183700E+04, 8.553450830E-01] ) ) - note = "J 3/63" + # note = "J 3/63" ) species(name = "KO", @@ -5665,7 +5665,7 @@ species(name = "KO", -3.712883700E-08, 7.130830000E-12, -5.036968700E-16, 7.205233100E+03, 3.307668490E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "KO-", @@ -5678,7 +5678,7 @@ species(name = "KO-", -3.933099600E-08, 7.559851100E-12, -5.344227500E-16, -1.795610900E+04, 1.920004080E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "KOH", @@ -5691,7 +5691,7 @@ species(name = "KOH", -3.498454700E-07, 4.456699300E-11, -2.087027900E-15, -2.969873200E+04, -4.043654640E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "KOH+", @@ -5704,7 +5704,7 @@ species(name = "KOH+", -3.344711700E-07, 4.172793200E-11, -1.879391300E-15, 5.816760200E+04, -2.554151370E+00] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "K2", @@ -5717,7 +5717,7 @@ species(name = "K2", 1.175531930E-06, -1.742203670E-10, 9.703028740E-15, 1.260443490E+04, -9.319390510E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "K2C2N2", @@ -5730,7 +5730,7 @@ species(name = "K2C2N2", -1.403488800E-06, 2.615639600E-10, -1.820686500E-14, -4.975361400E+03, -2.815389110E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "K2CL2", @@ -5743,7 +5743,7 @@ species(name = "K2CL2", -5.039119700E-08, 9.993461400E-12, -7.270300900E-16, -7.727233000E+04, -1.409028200E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "K2F2", @@ -5756,7 +5756,7 @@ species(name = "K2F2", -8.707166500E-08, 1.633722700E-11, -1.128725600E-15, -1.067598700E+05, -1.764180300E+01] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "K2O2H2", @@ -5769,7 +5769,7 @@ species(name = "K2O2H2", -1.922353200E-06, 3.186606600E-10, -2.015250800E-14, -8.204835200E+04, -1.681250590E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "K2SO4", @@ -5782,7 +5782,7 @@ species(name = "K2SO4", -1.814893500E-06, 3.549724300E-10, -2.555875400E-14, -1.369532900E+05, -4.614381540E+01] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Kr", @@ -5795,7 +5795,7 @@ species(name = "Kr", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 5.490956510E+00] ) ) - note = "L10/90" + # note = "L10/90" ) species(name = "Kr+", @@ -5808,7 +5808,7 @@ species(name = "Kr+", -1.295074820E-07, 1.311586880E-11, -3.849779870E-16, 1.625831100E+05, 8.624276880E+00] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "Li", @@ -5821,7 +5821,7 @@ species(name = "Li", -6.447900180E-08, 2.757529660E-11, -1.787839350E-15, 1.840744740E+04, 2.408020740E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "Li+", @@ -5834,7 +5834,7 @@ species(name = "Li+", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 8.172719400E+04, 1.754357540E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "LiALF4", @@ -5847,7 +5847,7 @@ species(name = "LiALF4", -1.001000200E-06, 1.967024900E-10, -1.420888600E-14, -2.276275700E+05, -4.236014800E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "LiBO2", @@ -5860,7 +5860,7 @@ species(name = "LiBO2", -1.128474100E-06, 2.106239800E-10, -1.458490900E-14, -8.037028500E+04, -1.060079180E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "LiCL", @@ -5873,7 +5873,7 @@ species(name = "LiCL", -1.012313000E-07, 1.845185300E-11, -1.239873100E-15, -2.488444200E+04, 1.041721580E+00] ) ) - note = "J 6/62" + # note = "J 6/62" ) species(name = "LiF", @@ -5886,7 +5886,7 @@ species(name = "LiF", -2.145414400E-07, 4.060901300E-11, -2.835792000E-15, -4.229931800E+04, 6.976954670E-01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "LiFO", @@ -5899,7 +5899,7 @@ species(name = "LiFO", -4.788849300E-07, 9.106833200E-11, -6.384912300E-15, -1.310098900E+04, -5.336603290E+00] ) ) - note = "J 9/65" + # note = "J 9/65" ) species(name = "LiF2-", @@ -5912,7 +5912,7 @@ species(name = "LiF2-", -5.352283000E-07, 1.011302500E-10, -7.058174400E-15, -8.766789000E+04, -9.298402850E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "LiH", @@ -5925,7 +5925,7 @@ species(name = "LiH", -4.019458800E-07, 7.382855700E-11, -4.926964400E-15, 1.571762500E+04, -3.750389650E-01] ) ) - note = "J 9/67" + # note = "J 9/67" ) species(name = "LiN", @@ -5938,7 +5938,7 @@ species(name = "LiN", -1.249399300E-07, 2.317475900E-11, -1.585191700E-15, 3.891695200E+04, 7.008514810E-01] ) ) - note = "J12/66" + # note = "J12/66" ) species(name = "LiO", @@ -5951,7 +5951,7 @@ species(name = "LiO", -1.452029600E-07, 2.725307000E-11, -1.886477500E-15, 8.779525900E+03, 1.231425990E+00] ) ) - note = "J 3/64" + # note = "J 3/64" ) species(name = "LiO-", @@ -5964,7 +5964,7 @@ species(name = "LiO-", -1.502484500E-07, 2.839773200E-11, -1.978918100E-15, -9.384970200E+03, -1.423923370E-01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "LiOH", @@ -5977,7 +5977,7 @@ species(name = "LiOH", -3.944146900E-07, 5.233219500E-11, -2.595867600E-15, -2.989923100E+04, -6.507016000E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "LiOH+", @@ -5990,7 +5990,7 @@ species(name = "LiOH+", -4.065930900E-07, 5.559091000E-11, -2.860462400E-15, 9.188857900E+04, -4.993592680E+00] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "LiON", @@ -6003,7 +6003,7 @@ species(name = "LiON", -5.466771000E-07, 1.031498700E-10, -7.193044700E-15, 1.969230200E+04, -4.344705590E+00] ) ) - note = "J 9/66" + # note = "J 9/66" ) species(name = "Li2", @@ -6016,7 +6016,7 @@ species(name = "Li2", -3.848781200E-07, 2.911330390E-10, -3.394384750E-14, 2.403946860E+04, -8.506791270E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "Li2CL2", @@ -6029,7 +6029,7 @@ species(name = "Li2CL2", -2.233794900E-07, 4.195111400E-11, -2.902130600E-15, -7.499026300E+04, -2.003167160E+01] ) ) - note = "J 6/62" + # note = "J 6/62" ) species(name = "Li2F2", @@ -6042,7 +6042,7 @@ species(name = "Li2F2", -5.099050400E-07, 9.791753400E-11, -6.921560200E-15, -1.163722800E+05, -2.088633120E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "Li2O", @@ -6055,7 +6055,7 @@ species(name = "Li2O", -4.149050600E-07, 7.863733700E-11, -5.496929200E-15, -2.225532500E+04, -1.082155900E+01] ) ) - note = "J 3/64" + # note = "J 3/64" ) species(name = "Li2O2", @@ -6068,7 +6068,7 @@ species(name = "Li2O2", -2.300586200E-07, 4.403083100E-11, -3.101870200E-15, -3.218248400E+04, -2.185911200E+01] ) ) - note = "J 3/64" + # note = "J 3/64" ) species(name = "Li2O2H2", @@ -6081,7 +6081,7 @@ species(name = "Li2O2H2", -2.181018100E-06, 3.688872600E-10, -2.373801400E-14, -8.884415000E+04, -2.135864950E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "Li2SO4", @@ -6094,7 +6094,7 @@ species(name = "Li2SO4", -2.037955600E-06, 3.986257900E-10, -2.870303000E-14, -1.306352800E+05, -4.916649110E+01] ) ) - note = "J12/78" + # note = "J12/78" ) species(name = "Li3CL3", @@ -6107,7 +6107,7 @@ species(name = "Li3CL3", -8.197833000E-07, 1.573549400E-10, -1.111947200E-14, -1.255885100E+05, -4.271102260E+01] ) ) - note = "J 6/62" + # note = "J 6/62" ) species(name = "Li3F3", @@ -6120,7 +6120,7 @@ species(name = "Li3F3", -7.922115900E-07, 1.515452900E-10, -1.067567300E-14, -1.872373600E+05, -4.506091300E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "Mg", @@ -6133,7 +6133,7 @@ species(name = "Mg", -2.332278030E-07, 5.371175700E-11, -2.995130650E-15, 1.701192330E+04, 4.634495160E+00] ) ) - note = "J 9/83" + # note = "J 9/83" ) species(name = "Mg+", @@ -6146,7 +6146,7 @@ species(name = "Mg+", 6.961714780E-09, -2.174949380E-12, 2.409033460E-16, 1.064209410E+05, 4.305044940E+00] ) ) - note = "J 9/83" + # note = "J 9/83" ) species(name = "MgBr", @@ -6159,7 +6159,7 @@ species(name = "MgBr", -4.150122300E-08, 5.937034200E-12, -4.823157300E-17, -5.596190900E+03, 4.229603090E+00] ) ) - note = "J 6/75" + # note = "J 6/75" ) species(name = "MgBr2", @@ -6172,7 +6172,7 @@ species(name = "MgBr2", -9.248920800E-08, 1.825583800E-11, -1.323117000E-15, -3.867130400E+04, -5.678465910E+00] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "MgCL", @@ -6185,7 +6185,7 @@ species(name = "MgCL", -5.448859200E-08, 9.948103100E-12, -6.694961100E-16, -6.583082600E+03, 2.989388660E+00] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "MgCL+", @@ -6198,7 +6198,7 @@ species(name = "MgCL+", 2.471294500E-06, -5.082365300E-10, 3.367262500E-14, 7.648087900E+04, -8.290362270E+00] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "MgCLF", @@ -6211,7 +6211,7 @@ species(name = "MgCLF", -1.779948190E-07, 3.063182050E-11, -1.915545440E-15, -7.052359770E+04, -5.835554140E+00] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "MgCL2", @@ -6224,7 +6224,7 @@ species(name = "MgCL2", -1.240118700E-07, 2.352710100E-11, -1.644320500E-15, -4.944232600E+04, -8.180901460E+00] ) ) - note = "J12/69" + # note = "J12/69" ) species(name = "MgF", @@ -6237,7 +6237,7 @@ species(name = "MgF", -1.509763100E-07, 2.816922100E-11, -1.827589200E-15, -2.981371000E+04, 2.436962110E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "MgF+", @@ -6250,7 +6250,7 @@ species(name = "MgF+", -2.939479700E-06, 7.271184300E-10, -5.984480200E-14, 5.953600000E+04, -1.345777940E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "MgF2", @@ -6263,7 +6263,7 @@ species(name = "MgF2", -3.228004600E-07, 6.336366600E-11, -4.573843700E-15, -8.946442900E+04, -5.915130790E+00] ) ) - note = "J 6/75" + # note = "J 6/75" ) species(name = "MgF2+", @@ -6276,7 +6276,7 @@ species(name = "MgF2+", -3.294117200E-07, 6.588112800E-11, -4.587322800E-15, 6.899314500E+04, -8.713013950E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "MgH", @@ -6289,7 +6289,7 @@ species(name = "MgH", -5.027821000E-07, 9.811883400E-11, -6.618306800E-15, 1.917631000E+04, 2.997751860E+00] ) ) - note = "J12/66" + # note = "J12/66" ) species(name = "MgI", @@ -6302,7 +6302,7 @@ species(name = "MgI", -5.229866790E-08, 9.687134860E-12, -4.671137860E-16, 1.625819070E+03, 5.164510180E+00] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "MgI2", @@ -6315,7 +6315,7 @@ species(name = "MgI2", -6.706773800E-08, 1.325755900E-11, -9.620050200E-16, -2.151192300E+04, -3.938456630E+00] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "MgN", @@ -6328,7 +6328,7 @@ species(name = "MgN", -1.299573000E-07, 2.441894000E-11, -1.691775900E-15, 3.338293100E+04, 2.732051960E+00] ) ) - note = "J 3/64" + # note = "J 3/64" ) species(name = "MgO", @@ -6341,7 +6341,7 @@ species(name = "MgO", -2.400973000E-07, 1.627327700E-10, -1.761190900E-14, 3.494438400E+03, -2.180117300E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "MgOH", @@ -6354,7 +6354,7 @@ species(name = "MgOH", -5.430917300E-07, 8.256334900E-11, -4.713351300E-15, -2.150933600E+04, -3.395165560E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "MgOH+", @@ -6367,7 +6367,7 @@ species(name = "MgOH+", -5.401665100E-07, 8.346782400E-11, -5.003616800E-15, 6.859581600E+04, -4.150388630E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "MgO2H2", @@ -6380,7 +6380,7 @@ species(name = "MgO2H2", -1.102203300E-06, 1.711117900E-10, -1.030228600E-14, -7.162673100E+04, -1.762946490E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "MgS", @@ -6393,7 +6393,7 @@ species(name = "MgS", 2.095119900E-06, -3.522483800E-10, 2.228273600E-14, 1.332934600E+04, -3.319052230E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Mg2", @@ -6406,7 +6406,7 @@ species(name = "Mg2", -3.154974010E-06, 1.118151990E-09, -1.085390010E-13, 3.410948850E+04, 1.945477040E+01] ) ) - note = "J 9/83" + # note = "J 9/83" ) species(name = "Mg2F4", @@ -6419,7 +6419,7 @@ species(name = "Mg2F4", -6.834711700E-07, 1.346046900E-10, -9.738339800E-15, -2.114376600E+05, -4.427824400E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "MoO3", @@ -6432,7 +6432,7 @@ species(name = "MoO3", -6.137326000E-07, 1.075889000E-10, -6.227755500E-15, -4.676527000E+04, -1.670282500E+01] ) ) - note = "TPIS82" + # note = "TPIS82" ) species(name = "Mo2O6", @@ -6445,7 +6445,7 @@ species(name = "Mo2O6", -7.392938600E-06, 1.745410900E-09, -1.441066800E-13, -1.429283100E+05, -3.644861400E+01] ) ) - note = "TPIS82" + # note = "TPIS82" ) species(name = "Mo3O9", @@ -6458,7 +6458,7 @@ species(name = "Mo3O9", -1.058935700E-05, 2.492675200E-09, -2.054253600E-13, -2.362003800E+05, -7.108818600E+01] ) ) - note = "TPIS82" + # note = "TPIS82" ) species(name = "Mo4O12", @@ -6471,7 +6471,7 @@ species(name = "Mo4O12", -1.411854900E-05, 3.327129200E-09, -2.743901600E-13, -3.259036300E+05, -1.072803370E+02] ) ) - note = "TPIS82" + # note = "TPIS82" ) species(name = "Mo5O15", @@ -6484,7 +6484,7 @@ species(name = "Mo5O15", -1.753604700E-05, 4.130623000E-09, -3.405577100E-13, -4.132415600E+05, -1.437367570E+02] ) ) - note = "TPIS82" + # note = "TPIS82" ) species(name = "N", @@ -6497,7 +6497,7 @@ species(name = "N", -1.190236670E-07, 3.022623870E-11, -2.036097900E-15, 5.613377480E+04, 4.649609860E+00] ) ) - note = "L 6/88" + # note = "L 6/88" ) species(name = "N+", @@ -6510,7 +6510,7 @@ species(name = "N+", -1.594269380E-08, 7.248656630E-12, -6.445014260E-16, 2.256243400E+05, 4.927676610E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "N-", @@ -6523,7 +6523,7 @@ species(name = "N-", 3.852100620E-09, -6.689359980E-13, 4.209911720E-17, 5.620830170E+04, 4.949532020E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "NCO", @@ -6536,7 +6536,7 @@ species(name = "NCO", -8.836995190E-07, 1.485253460E-10, -9.088579050E-15, 1.949637500E+04, -2.564063500E+00] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "ND", @@ -6549,7 +6549,7 @@ species(name = "ND", -6.328733300E-07, 1.147768500E-10, -7.831858400E-15, 4.425595100E+04, 6.006628820E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "ND2", @@ -6562,7 +6562,7 @@ species(name = "ND2", -1.321345700E-06, 2.680067900E-10, -2.081017400E-14, 2.107774900E+04, 4.373879750E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "ND3", @@ -6575,7 +6575,7 @@ species(name = "ND3", -2.642340000E-06, 4.763086800E-10, -3.280482800E-14, -8.396652700E+03, 4.162907180E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "NF", @@ -6588,7 +6588,7 @@ species(name = "NF", -6.957218150E-08, 1.459254540E-11, -1.563724010E-15, 2.667119820E+04, 2.087748050E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NF2", @@ -6601,7 +6601,7 @@ species(name = "NF2", -6.643205000E-07, 1.298820900E-10, -9.348916200E-15, 2.172891800E+03, -3.217337260E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "NF3", @@ -6614,7 +6614,7 @@ species(name = "NF3", -1.080130600E-06, 2.122125600E-10, -1.528812400E-14, -1.866843200E+04, -1.497089220E+01] ) ) - note = "L12/86" + # note = "L12/86" ) species(name = "NH", @@ -6627,7 +6627,7 @@ species(name = "NH", -4.247855650E-07, 7.834944250E-11, -5.504512980E-15, 4.213451630E+04, 5.740848570E+00] ) ) - note = "L11/89" + # note = "L11/89" ) species(name = "NH+", @@ -6640,7 +6640,7 @@ species(name = "NH+", -4.614877820E-07, 8.269776660E-11, -5.557589130E-15, 1.995245050E+05, 5.599780210E+00] ) ) - note = "L 2/89" + # note = "L 2/89" ) species(name = "NHF", @@ -6653,7 +6653,7 @@ species(name = "NHF", -1.194818900E-06, 2.153204100E-10, -1.447128500E-14, 1.217131700E+04, 5.630128460E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "NHF2", @@ -6666,7 +6666,7 @@ species(name = "NHF2", -1.877374900E-06, 3.469930300E-10, -2.403675000E-14, -1.442363300E+04, -1.644628150E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "NH2", @@ -6679,7 +6679,7 @@ species(name = "NH2", -8.986414580E-07, 1.303182840E-10, -7.488129260E-15, 2.182390490E+04, 6.471654330E+00] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "NH2F", @@ -6692,7 +6692,7 @@ species(name = "NH2F", -2.483275400E-06, 4.437033100E-10, -2.998110000E-14, -1.030216700E+04, 8.277199870E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "NH3", @@ -6705,7 +6705,7 @@ species(name = "NH3", -1.768863960E-06, 2.674172600E-10, -1.527314190E-14, -6.584519890E+03, 6.092898370E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NH2OH", @@ -6718,7 +6718,7 @@ species(name = "NH2OH", -2.826157420E-06, 4.379313300E-10, -2.527249210E-14, -7.587827270E+03, 3.791569010E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NH4+", @@ -6731,7 +6731,7 @@ species(name = "NH4+", -3.290495950E-06, 5.120453960E-10, -2.984990600E-14, 7.672770440E+04, 1.209309810E+01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NO", @@ -6744,7 +6744,7 @@ species(name = "NO", -4.291226460E-07, 6.944814630E-11, -4.032956810E-15, 9.921431320E+03, 6.369005180E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NO+", @@ -6757,7 +6757,7 @@ species(name = "NO+", -4.955031960E-07, 7.959489730E-11, -4.720766680E-15, 1.182443400E+05, 6.706446410E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NOCL", @@ -6770,7 +6770,7 @@ species(name = "NOCL", -2.523554200E-07, 8.094449300E-11, -9.020372700E-15, 4.371781000E+03, -2.644057570E+00] ) ) - note = "L12/86" + # note = "L12/86" ) species(name = "NOF", @@ -6783,7 +6783,7 @@ species(name = "NOF", -1.110404500E-06, 2.454136700E-10, -1.888881300E-14, -9.532831500E+03, 4.591733490E-01] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "NOF3", @@ -6796,7 +6796,7 @@ species(name = "NOF3", -1.552126900E-06, 3.016350300E-10, -2.162290900E-14, -2.601812000E+04, -2.459501130E+01] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "NO2", @@ -6809,7 +6809,7 @@ species(name = "NO2", -8.280790200E-07, 1.574772930E-10, -1.051105490E-14, 2.316484620E+03, -1.173570750E-01] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "NO2-", @@ -6822,7 +6822,7 @@ species(name = "NO2-", -8.700030770E-07, 1.610742500E-10, -1.034480620E-14, -2.590436160E+04, -1.540650630E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NO2CL", @@ -6835,7 +6835,7 @@ species(name = "NO2CL", -1.377989700E-06, 2.665316300E-10, -1.904379600E-14, -1.061534700E+03, -9.454765600E+00] ) ) - note = "L12/86" + # note = "L12/86" ) species(name = "NO2F", @@ -6848,7 +6848,7 @@ species(name = "NO2F", -1.566602300E-06, 3.026664100E-10, -2.160886600E-14, -1.561104100E+04, -8.881696010E+00] ) ) - note = "L12/86" + # note = "L12/86" ) species(name = "NO3", @@ -6861,7 +6861,7 @@ species(name = "NO3", -1.009458310E-06, 1.723140720E-10, -1.071540150E-14, 5.709194280E+03, -1.416181550E+01] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "NO3-", @@ -6874,7 +6874,7 @@ species(name = "NO3-", -1.230487820E-06, 2.092579890E-10, -1.297954710E-14, -4.005481520E+04, -1.170870970E+01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "NO3F", @@ -6887,7 +6887,7 @@ species(name = "NO3F", -2.218706700E-06, 4.512975800E-10, -3.324065400E-14, -1.646851600E+03, -2.008892420E+01] ) ) - note = "L12/86" + # note = "L12/86" ) species(name = "N2", @@ -6900,7 +6900,7 @@ species(name = "N2", -4.926316910E-07, 7.860103670E-11, -4.607553210E-15, -9.239486450E+02, 5.871892520E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "N2+", @@ -6913,7 +6913,7 @@ species(name = "N2+", 1.847782140E-07, -4.552572230E-11, 3.268180290E-15, 1.803909940E+05, 3.095841500E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "N2-", @@ -6926,7 +6926,7 @@ species(name = "N2-", -6.017314800E-07, 1.134842300E-10, -7.965851800E-15, 1.685905800E+04, 6.389856000E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "NCN", @@ -6939,7 +6939,7 @@ species(name = "NCN", -6.857511310E-07, 1.157119800E-10, -7.075679070E-15, 5.822148900E+04, -6.305336650E+00] ) ) - note = "L12/89" + # note = "L12/89" ) species(name = "cis-N2D2", @@ -6952,7 +6952,7 @@ species(name = "cis-N2D2", -1.936842880E-06, 3.205759670E-10, -1.952086240E-14, 2.302303960E+04, -9.526622540E-01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "N2F2", @@ -6965,7 +6965,7 @@ species(name = "N2F2", -1.134602300E-06, 2.203526800E-10, -1.578865800E-14, 4.813999900E+03, -1.282929130E+01] ) ) - note = "L12/86" + # note = "L12/86" ) species(name = "N2F4", @@ -6978,7 +6978,7 @@ species(name = "N2F4", -1.554689000E-06, 3.045621800E-10, -2.195235400E-14, -7.200818900E+03, -3.771089980E+01] ) ) - note = "L12/86" + # note = "L12/86" ) species(name = "N2H2", @@ -6991,7 +6991,7 @@ species(name = "N2H2", -3.149118660E-06, 4.814496900E-10, -2.718979830E-14, 2.478641670E+04, 1.640910850E+01] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "NH2NO2", @@ -7004,7 +7004,7 @@ species(name = "NH2NO2", -2.750870390E-06, 4.446228860E-10, -2.664881220E-14, -6.217670340E+03, -1.327370000E+01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "N2H4", @@ -7017,7 +7017,7 @@ species(name = "N2H4", -2.993990580E-06, 4.672784180E-10, -2.730685990E-14, 9.282655480E+03, -2.694397720E+00] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "N2O", @@ -7030,7 +7030,7 @@ species(name = "N2O", -9.584260580E-07, 1.599912960E-10, -9.774169390E-15, 8.073356620E+03, -2.202366000E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "N2O+", @@ -7043,7 +7043,7 @@ species(name = "N2O+", -7.537582280E-07, 1.270459110E-10, -7.802076250E-15, 1.583759020E+05, -4.418967000E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "N2O3", @@ -7056,7 +7056,7 @@ species(name = "N2O3", -1.315838900E-06, 2.307623290E-10, -1.471512670E-14, 7.271601460E+03, -1.553619040E+01] ) ) - note = "L 4/90" + # note = "L 4/90" ) species(name = "N2O4", @@ -7069,7 +7069,7 @@ species(name = "N2O4", -1.571783230E-06, 2.682743090E-10, -1.669220190E-14, -2.921912260E+03, -3.194884390E+01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "N2O5", @@ -7082,7 +7082,7 @@ species(name = "N2O5", -1.875483890E-06, 3.163741210E-10, -1.959268450E-14, -3.116347000E+03, -3.468776920E+01] ) ) - note = "L 4/90" + # note = "L 4/90" ) species(name = "N3", @@ -7095,7 +7095,7 @@ species(name = "N3", -1.049175820E-06, 1.753407200E-10, -1.074827040E-14, 5.069842380E+04, -9.401354560E-01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "N3H", @@ -7108,7 +7108,7 @@ species(name = "N3H", -1.527045750E-06, 2.462957740E-10, -1.471441640E-14, 3.342839860E+04, -2.255291030E+00] ) ) - note = "L 7/88" + # note = "L 7/88" ) species(name = "Na", @@ -7121,7 +7121,7 @@ species(name = "Na", -1.490775680E-07, 3.668217950E-11, -1.660360370E-15, 1.219430690E+04, 4.791811200E+00] ) ) - note = "L 4/93" + # note = "L 4/93" ) species(name = "Na+", @@ -7134,7 +7134,7 @@ species(name = "Na+", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 7.254132500E+04, 3.550845040E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "NaALF4", @@ -7147,7 +7147,7 @@ species(name = "NaALF4", -8.815148400E-07, 1.732214800E-10, -1.251291500E-14, -2.261234700E+05, -4.127551800E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "NaBO2", @@ -7160,7 +7160,7 @@ species(name = "NaBO2", -1.097913600E-06, 2.049399800E-10, -1.419314600E-14, -8.057859100E+04, -9.446301810E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "NaBr", @@ -7173,7 +7173,7 @@ species(name = "NaBr", -2.798961900E-08, 5.384903800E-12, -3.809405400E-16, -1.865948900E+04, 3.608582130E+00] ) ) - note = "J 9/64" + # note = "J 9/64" ) species(name = "NaCN", @@ -7186,7 +7186,7 @@ species(name = "NaCN", -6.743792400E-07, 1.223450200E-10, -8.296609100E-15, 9.493344400E+03, -4.344260410E+00] ) ) - note = "J3/66 " + # note = "J3/66 " ) species(name = "NaCL", @@ -7199,7 +7199,7 @@ species(name = "NaCL", -2.810838300E-08, 4.716357100E-12, -2.883255700E-16, -2.317090000E+04, 2.300974590E+00] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "NaF", @@ -7212,7 +7212,7 @@ species(name = "NaF", -6.942326210E-08, 1.196796170E-11, -7.493083930E-16, -3.627978720E+04, 1.300463540E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "NaF2-", @@ -7225,7 +7225,7 @@ species(name = "NaF2-", -1.797229900E-07, 3.404122900E-11, -2.375193500E-15, -8.275573000E+04, -1.078667450E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "NaH", @@ -7238,7 +7238,7 @@ species(name = "NaH", -3.122681600E-07, 5.850247100E-11, -4.051392400E-15, 1.368306200E+04, 4.841680870E-01] ) ) - note = "J 3/63" + # note = "J 3/63" ) species(name = "NaI", @@ -7251,7 +7251,7 @@ species(name = "NaI", -1.692627500E-08, 3.896008700E-12, -2.796631100E-16, -1.206684300E+04, 4.475958750E+00] ) ) - note = "L 6/72" + # note = "L 6/72" ) species(name = "NaO", @@ -7264,7 +7264,7 @@ species(name = "NaO", -4.522059800E-08, 7.975182100E-12, -5.173598900E-16, 8.711899500E+03, 2.388089630E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "NaO-", @@ -7277,7 +7277,7 @@ species(name = "NaO-", -4.821247200E-08, 8.572086200E-12, -5.609433400E-16, -1.594626800E+04, 1.013634790E+00] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "NaOH", @@ -7290,7 +7290,7 @@ species(name = "NaOH", -3.327103600E-07, 4.066629800E-11, -1.779068800E-15, -2.550822200E+04, -5.036874660E+00] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "NaOH+", @@ -7303,7 +7303,7 @@ species(name = "NaOH+", -3.402956300E-07, 4.285326800E-11, -1.959376000E-15, 7.980651400E+04, -3.424682680E+00] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "Na2", @@ -7316,7 +7316,7 @@ species(name = "Na2", -4.392797690E-07, 3.051748100E-10, -3.394888160E-14, 1.499909270E+04, -6.696136470E+00] ) ) - note = "J12/83" + # note = "J12/83" ) species(name = "Na2C2N2", @@ -7329,7 +7329,7 @@ species(name = "Na2C2N2", -1.361693400E-06, 2.472095900E-10, -1.677325400E-14, -5.049102100E+03, -3.107419790E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "Na2CL2", @@ -7342,7 +7342,7 @@ species(name = "Na2CL2", -8.160874300E-08, 1.529818100E-11, -1.055899400E-15, -7.107714900E+04, -1.703610090E+01] ) ) - note = "J12/64" + # note = "J12/64" ) species(name = "Na2F2", @@ -7355,7 +7355,7 @@ species(name = "Na2F2", -2.762472000E-07, 5.291719000E-11, -3.731035300E-15, -1.048011400E+05, -1.975299210E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "Na2O", @@ -7368,7 +7368,7 @@ species(name = "Na2O", -1.740891100E-07, 3.356516200E-11, -2.381080100E-15, -7.219126100E+03, -9.634810610E+00] ) ) - note = "L10/74" + # note = "L10/74" ) species(name = "Na2O2H2", @@ -7381,7 +7381,7 @@ species(name = "Na2O2H2", -1.965961100E-06, 3.268034400E-10, -2.071248500E-14, -7.636636900E+04, -1.885434970E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "Na2SO4", @@ -7394,7 +7394,7 @@ species(name = "Na2SO4", -1.900840900E-06, 3.718753000E-10, -2.678045700E-14, -1.296735700E+05, -4.765692170E+01] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Nb", @@ -7407,7 +7407,7 @@ species(name = "Nb", 8.237394300E-07, -1.183289900E-10, 5.363705300E-15, 8.696071300E+04, -1.184686430E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO", @@ -7420,7 +7420,7 @@ species(name = "NbO", -4.253539000E-07, 1.026493600E-10, -8.041980100E-15, 2.263713200E+04, 6.223641510E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO2", @@ -7433,7 +7433,7 @@ species(name = "NbO2", -3.826971080E-07, 6.541504200E-11, -4.071590790E-15, -2.610086450E+04, -2.400156630E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ne", @@ -7446,7 +7446,7 @@ species(name = "Ne", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 3.355322720E+00] ) ) - note = "L10/90" + # note = "L10/90" ) species(name = "Ne+", @@ -7459,7 +7459,7 @@ species(name = "Ne+", 1.318733590E-07, -2.142092100E-11, 1.287784990E-15, 2.501437260E+05, 2.563103320E+00] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "Ni", @@ -7472,7 +7472,7 @@ species(name = "Ni", -2.283644800E-08, 1.508521100E-11, -1.000444500E-15, 5.070812600E+04, 3.531716230E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "NiCL", @@ -7485,7 +7485,7 @@ species(name = "NiCL", 8.520772300E-07, -1.488639300E-10, 8.155162400E-15, 2.005650500E+04, -1.637321440E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "NiCL2", @@ -7498,7 +7498,7 @@ species(name = "NiCL2", -4.314954200E-07, 9.359084600E-11, -7.191513900E-15, -1.123585700E+04, -7.188951040E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "NiO", @@ -7511,7 +7511,7 @@ species(name = "NiO", -1.878678400E-07, 3.553185500E-11, -2.471516600E-15, 3.644564500E+04, 4.076796560E+00] ) ) - note = "L 2/84" + # note = "L 2/84" ) species(name = "NiS", @@ -7524,7 +7524,7 @@ species(name = "NiS", -2.970181300E-07, 8.017972400E-11, -6.725741800E-15, 4.132103200E+04, 1.818987970E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "O", @@ -7537,7 +7537,7 @@ species(name = "O", -4.190295200E-09, 4.954818450E-12, -4.795536940E-16, 2.922601200E+04, 4.922294570E+00] ) ) - note = "L 1/90" + # note = "L 1/90" ) species(name = "O+", @@ -7550,7 +7550,7 @@ species(name = "O+", -1.089558060E-08, 1.259092120E-12, 1.373167200E-16, 1.879399650E+05, 4.461340910E+00] ) ) - note = "L 1/90" + # note = "L 1/90" ) species(name = "O-", @@ -7563,7 +7563,7 @@ species(name = "O-", 1.849123100E-08, -3.181591310E-12, 1.989628940E-16, 1.148227130E+04, 4.521310050E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "OD", @@ -7576,7 +7576,7 @@ species(name = "OD", -5.702078700E-07, 9.886440900E-11, -6.506201400E-15, 3.575981300E+03, 6.675671330E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "OH", @@ -7589,7 +7589,7 @@ species(name = "OH", -2.939149780E-07, 4.205242470E-11, -2.421690920E-15, 3.943958520E+03, 5.844526620E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "OH+", @@ -7602,7 +7602,7 @@ species(name = "OH+", -5.399728050E-07, 9.376438590E-11, -5.700680550E-15, 1.543957440E+05, 6.443759010E+00] ) ) - note = "TPIS78" + # note = "TPIS78" ) species(name = "OH-", @@ -7615,7 +7615,7 @@ species(name = "OH-", -2.624593980E-07, 3.083764350E-11, -1.313838620E-15, -1.801869740E+04, 4.494647490E+00] ) ) - note = "L 3/93" + # note = "L 3/93" ) species(name = "O2", @@ -7628,7 +7628,7 @@ species(name = "O2", -1.411494850E-07, 2.057976580E-11, -1.299132480E-15, -1.215977250E+03, 3.415361840E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "O2+", @@ -7641,7 +7641,7 @@ species(name = "O2+", -3.834925560E-07, 5.727846870E-11, -2.776483810E-15, 1.398768230E+05, 5.447264760E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "O2-", @@ -7654,7 +7654,7 @@ species(name = "O2-", -2.121339050E-07, 3.632675810E-11, -2.249892280E-15, -7.062872290E+03, 2.278710100E+00] ) ) - note = "L 4/89" + # note = "L 4/89" ) species(name = "O3", @@ -7667,7 +7667,7 @@ species(name = "O3", 7.987412780E-06, -1.771945520E-09, 1.260758240E-13, 1.267558310E+04, -4.088233740E+01] ) ) - note = "L 5/90" + # note = "L 5/90" ) species(name = "P", @@ -7680,7 +7680,7 @@ species(name = "P", 2.445430460E-07, -2.057082520E-11, -2.945466190E-16, 3.718927480E+04, 3.677647330E+00] ) ) - note = "J12/82" + # note = "J12/82" ) species(name = "P+", @@ -7693,7 +7693,7 @@ species(name = "P+", 3.129811900E-07, -5.972753900E-11, 3.930492500E-15, 1.599441270E+05, 3.833706490E+00] ) ) - note = "L12/66" + # note = "L12/66" ) species(name = "PCL3", @@ -7706,7 +7706,7 @@ species(name = "PCL3", -2.584687800E-07, 4.890428000E-11, -3.408328500E-15, -3.770455740E+04, -1.692964980E+01] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "PF", @@ -7719,7 +7719,7 @@ species(name = "PF", 1.292315500E-07, -3.545968600E-11, 2.930864200E-15, -7.675664950E+03, 2.401963810E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "PF+", @@ -7732,7 +7732,7 @@ species(name = "PF+", -2.031980800E-07, 3.923484700E-11, -2.783033700E-15, 1.071458470E+05, 3.444416680E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "PF-", @@ -7745,7 +7745,7 @@ species(name = "PF-", -9.877430300E-08, 1.871182100E-11, -1.211025200E-15, -2.105814440E+04, 2.412291520E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "PF2", @@ -7758,7 +7758,7 @@ species(name = "PF2", -4.537102000E-07, 8.704558300E-11, -5.971405200E-15, -6.075532540E+04, -3.785130070E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "PF2+", @@ -7771,7 +7771,7 @@ species(name = "PF2+", -4.675816600E-07, 8.961229800E-11, -6.045421700E-15, 5.477693960E+04, -4.351671580E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "PF3", @@ -7784,7 +7784,7 @@ species(name = "PF3", -7.511980800E-07, 1.434424700E-10, -1.009397900E-14, -1.181807830E+05, -1.646360200E+01] ) ) - note = "J12/69" + # note = "J12/69" ) species(name = "PF5", @@ -7797,7 +7797,7 @@ species(name = "PF5", -1.519860400E-06, 2.910190400E-10, -2.053470800E-14, -1.963622630E+05, -3.947554200E+01] ) ) - note = "J12/69" + # note = "J12/69" ) species(name = "PH", @@ -7810,7 +7810,7 @@ species(name = "PH", -3.038165400E-07, 4.443631400E-11, -2.700097500E-15, 2.742683160E+04, 5.768048550E+00] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "PH3", @@ -7823,7 +7823,7 @@ species(name = "PH3", -2.633675500E-06, 4.774466000E-10, -3.235439000E-14, -8.161767520E+02, 3.954796260E+00] ) ) - note = "J 6/62" + # note = "J 6/62" ) species(name = "PO", @@ -7836,7 +7836,7 @@ species(name = "PO", -2.893419900E-07, 5.301355400E-11, -3.549537300E-15, -4.799454950E+03, 4.552377410E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "PO2", @@ -7849,7 +7849,7 @@ species(name = "PO2", -6.542569200E-07, 1.279323100E-10, -9.209927700E-15, -3.979472540E+04, -2.819722010E+00] ) ) - note = "J 9/62" + # note = "J 9/62" ) species(name = "P2", @@ -7862,7 +7862,7 @@ species(name = "P2", -1.558033900E-07, 2.909347400E-11, -2.004245800E-15, 1.594686930E+04, 2.241092490E+00] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "P4", @@ -7875,7 +7875,7 @@ species(name = "P4", -3.775833800E-07, 7.237966600E-11, -5.106610900E-15, 4.090549590E+03, -1.964170490E+01] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "P4O10", @@ -7888,7 +7888,7 @@ species(name = "P4O10", -5.485432000E-06, 1.070474300E-09, -7.695685700E-14, -3.601486330E+05, -1.238594470E+02] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "Pb", @@ -7901,7 +7901,7 @@ species(name = "Pb", 2.282631700E-06, -4.767492420E-10, 3.222238000E-14, 2.216874990E+04, -2.135253050E+00] ) ) - note = "J 3/83" + # note = "J 3/83" ) species(name = "PbBr", @@ -7914,7 +7914,7 @@ species(name = "PbBr", 3.321558200E-07, -6.530724000E-11, 4.272611200E-15, 7.098895900E+03, 5.867351590E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbBr2", @@ -7927,7 +7927,7 @@ species(name = "PbBr2", -2.655668500E-08, 5.159601200E-12, -3.683705000E-16, -1.464544100E+04, 1.180157990E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbBr4", @@ -7940,7 +7940,7 @@ species(name = "PbBr4", -7.197039000E-08, 1.397574900E-11, -9.973618700E-16, -5.877209500E+04, -2.214575000E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbCL", @@ -7953,7 +7953,7 @@ species(name = "PbCL", 3.268477900E-07, -6.516214700E-11, 4.297860200E-15, 3.779799100E+02, 4.437441740E+00] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "PbCL+", @@ -7966,7 +7966,7 @@ species(name = "PbCL+", -4.882113400E-09, -2.547224600E-12, 6.247087700E-16, 8.832584700E+04, 5.213100650E+00] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "PbCL2", @@ -7979,7 +7979,7 @@ species(name = "PbCL2", -1.002343400E-07, 1.926277200E-11, -8.794141900E-16, -2.301636200E+04, -9.637551090E-01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "PbCL2+", @@ -7992,7 +7992,7 @@ species(name = "PbCL2+", -9.656282200E-08, 2.010644000E-11, -1.324657900E-15, 9.609401800E+04, -8.160434800E-01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "PbCL4", @@ -8005,7 +8005,7 @@ species(name = "PbCL4", -1.646537000E-07, 3.184885500E-11, -2.265094700E-15, -7.032915100E+04, -2.662383220E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbF", @@ -8018,7 +8018,7 @@ species(name = "PbF", 2.829825300E-07, -5.712059400E-11, 3.739781300E-15, -1.108691700E+04, 3.740594230E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbF2", @@ -8031,7 +8031,7 @@ species(name = "PbF2", -1.800460900E-07, 3.472898400E-11, -2.464526900E-15, -5.442505900E+04, -2.946861950E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbF4", @@ -8044,7 +8044,7 @@ species(name = "PbF4", -4.300615900E-07, 8.290242100E-11, -5.880020200E-15, -1.402034500E+05, -2.979094400E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbI", @@ -8057,7 +8057,7 @@ species(name = "PbI", 3.097084700E-07, -5.920335300E-11, 3.877397000E-15, 1.153411000E+04, 6.839194060E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbI2", @@ -8070,7 +8070,7 @@ species(name = "PbI2", -1.220421600E-08, 2.386248900E-12, -1.713376800E-16, -2.470789800E+03, 3.471736490E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbI4", @@ -8083,7 +8083,7 @@ species(name = "PbI4", -3.678166700E-08, 7.176429400E-12, -5.143095700E-16, -3.087762900E+04, -1.765575930E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbO", @@ -8096,7 +8096,7 @@ species(name = "PbO", -2.376339400E-07, 4.242568800E-11, -1.229404400E-15, 7.151926000E+03, 5.150413190E+00] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "PbS", @@ -8109,7 +8109,7 @@ species(name = "PbS", -5.715720700E-07, 1.616047600E-10, -1.251189700E-14, 1.460169500E+04, 6.700748010E+00] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "Pb2", @@ -8122,7 +8122,7 @@ species(name = "Pb2", -1.925986300E-08, 3.645693700E-12, -2.538093400E-16, 3.865404900E+04, 8.324960490E+00] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "S", @@ -8135,7 +8135,7 @@ species(name = "S", 2.538067190E-07, -4.454554580E-11, 2.667173620E-15, 3.250137910E+04, 3.981406470E+00] ) ) - note = "J 9/82" + # note = "J 9/82" ) species(name = "S+", @@ -8148,7 +8148,7 @@ species(name = "S+", -1.195726990E-07, 4.387713590E-11, -3.805236390E-15, 1.534854220E+05, 5.608213710E+00] ) ) - note = "J 9/82" + # note = "J 9/82" ) species(name = "S-", @@ -8161,7 +8161,7 @@ species(name = "S-", 8.586488540E-08, -1.442561690E-11, 8.874911960E-16, 7.659800690E+03, 4.399027260E+00] ) ) - note = "J 9/82" + # note = "J 9/82" ) species(name = "SCL", @@ -8174,7 +8174,7 @@ species(name = "SCL", 4.522649500E-08, -9.371843500E-12, 8.073572700E-16, 1.745242600E+04, 2.379851530E+00] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "SCL2", @@ -8187,7 +8187,7 @@ species(name = "SCL2", -1.881688100E-07, 3.576115500E-11, -2.384940000E-15, -4.200021900E+03, -4.232370250E+00] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "SCL2+", @@ -8200,7 +8200,7 @@ species(name = "SCL2+", -2.507697900E-07, 5.098812400E-11, -3.273029200E-15, 1.063548600E+05, -3.294938320E+00] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "SD", @@ -8213,7 +8213,7 @@ species(name = "SD", -4.773013800E-07, 8.832366900E-11, -6.074059100E-15, 1.562714700E+04, 4.877641980E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "SF", @@ -8226,7 +8226,7 @@ species(name = "SF", -6.663036500E-08, 1.244859000E-11, -7.653749400E-16, 2.201852600E+02, 2.075968630E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SF+", @@ -8239,7 +8239,7 @@ species(name = "SF+", 5.544166500E-08, -1.143329500E-11, 5.584690600E-16, 1.179219200E+05, 2.459394670E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SF-", @@ -8252,7 +8252,7 @@ species(name = "SF-", -3.124698600E-07, 7.172247600E-11, -4.706140400E-15, -2.373488100E+04, 2.553694110E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SF2", @@ -8265,7 +8265,7 @@ species(name = "SF2", -4.465331300E-07, 8.762401000E-11, -6.323651200E-15, -3.771424100E+04, -4.557174110E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SF2+", @@ -8278,7 +8278,7 @@ species(name = "SF2+", -4.399293200E-07, 8.436813700E-11, -5.779537800E-15, 8.244458500E+04, -3.863075420E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SF2-", @@ -8291,7 +8291,7 @@ species(name = "SF2-", -2.140544000E-07, 4.217570300E-11, -3.052391000E-15, -5.000570500E+04, -5.733347870E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SF3", @@ -8304,7 +8304,7 @@ species(name = "SF3", -6.080833300E-07, 1.188302200E-10, -8.447091500E-15, -6.344049400E+04, -1.676488690E+01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "SF3+", @@ -8317,7 +8317,7 @@ species(name = "SF3+", -9.483682200E-07, 1.860743600E-10, -1.327172900E-14, 4.448673000E+04, -1.542124220E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SF3-", @@ -8330,7 +8330,7 @@ species(name = "SF3-", -6.075732100E-07, 1.194053200E-10, -8.625933200E-15, -9.632026500E+04, -1.749437070E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SF4", @@ -8343,7 +8343,7 @@ species(name = "SF4", -9.545244400E-07, 1.874611100E-10, -1.353595300E-14, -9.558166900E+04, -2.887564770E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SF4+", @@ -8356,7 +8356,7 @@ species(name = "SF4+", -8.390406200E-07, 1.641493800E-10, -1.173519500E-14, 4.622476700E+04, -2.857150820E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SF4-", @@ -8369,7 +8369,7 @@ species(name = "SF4-", -5.739827400E-07, 1.229938500E-10, -9.295273400E-15, -1.106030800E+05, -3.165926510E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SF5", @@ -8382,7 +8382,7 @@ species(name = "SF5", -1.169146300E-06, 2.424513200E-10, -1.831471800E-14, -1.140029300E+05, -4.301510120E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SF5+", @@ -8395,7 +8395,7 @@ species(name = "SF5+", -1.085439300E-06, 2.253374500E-10, -1.722391700E-14, 1.600490800E+04, -4.419972370E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SF5-", @@ -8408,7 +8408,7 @@ species(name = "SF5-", -8.621993600E-07, 1.697239500E-10, -1.227486000E-14, -1.573431500E+05, -4.515925360E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SF6", @@ -8421,7 +8421,7 @@ species(name = "SF6", -1.948633700E-06, 3.824719600E-10, -2.760505000E-14, -1.522680100E+05, -5.441571940E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SF6-", @@ -8434,7 +8434,7 @@ species(name = "SF6-", -1.816490300E-06, 3.566732800E-10, -2.575000000E-14, -1.668988400E+05, -5.439612180E+01] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "SH", @@ -8447,7 +8447,7 @@ species(name = "SH", -4.678966300E-07, 7.880401500E-11, -5.028045300E-15, 1.590532000E+04, 6.284627150E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "SN", @@ -8460,7 +8460,7 @@ species(name = "SN", -2.937020300E-07, 5.501362800E-11, -3.812355100E-15, 3.045996200E+04, 4.431273550E+00] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "SO", @@ -8473,7 +8473,7 @@ species(name = "SO", 8.289666700E-08, -3.432374100E-11, 3.112144400E-15, -7.105195600E+02, 3.499735050E+00] ) ) - note = "J 6/77" + # note = "J 6/77" ) species(name = "SOF2", @@ -8486,7 +8486,7 @@ species(name = "SOF2", -9.086691200E-07, 1.734483400E-10, -1.221415800E-14, -6.823815900E+04, -1.385559160E+01] ) ) - note = "J 6/72" + # note = "J 6/72" ) species(name = "SO2", @@ -8499,7 +8499,7 @@ species(name = "SO2", -8.037576900E-07, 1.514996900E-10, -1.055800400E-14, -3.755822700E+04, -1.074048920E+00] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "SO2CLF", @@ -8512,7 +8512,7 @@ species(name = "SO2CLF", -1.347151400E-06, 2.558031000E-10, -1.793825600E-14, -7.050929100E+04, -2.312785080E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "SO2CL2", @@ -8525,7 +8525,7 @@ species(name = "SO2CL2", -1.142823000E-06, 2.168620000E-10, -1.519915100E-14, -4.629505600E+04, -2.430785700E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "SO2F2", @@ -8538,7 +8538,7 @@ species(name = "SO2F2", -1.589911400E-06, 3.023246400E-10, -2.122857700E-14, -9.475476800E+04, -2.284894200E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "SO3", @@ -8551,7 +8551,7 @@ species(name = "SO3", -1.353576000E-06, 2.563091200E-10, -1.793604400E-14, -5.021137600E+04, -1.118751760E+01] ) ) - note = "J 9/65" + # note = "J 9/65" ) species(name = "S2", @@ -8564,7 +8564,7 @@ species(name = "S2", -5.018927800E-08, -1.547031900E-11, 2.666177100E-15, 1.419801500E+04, 4.491191590E+00] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "S2CL", @@ -8577,7 +8577,7 @@ species(name = "S2CL", -1.756591200E-07, 3.097183840E-11, -1.751559220E-15, 7.374959000E+03, -2.985118920E+00] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "S2CL2", @@ -8590,7 +8590,7 @@ species(name = "S2CL2", -6.927842800E-07, 1.386544630E-10, -9.293978390E-15, -5.050195240E+03, -1.529504410E+01] ) ) - note = "L 4/93" + # note = "L 4/93" ) species(name = "S2F2,thiothiony", @@ -8603,7 +8603,7 @@ species(name = "S2F2,thiothiony", -4.362276570E-07, 7.462984780E-11, -4.620439510E-15, -5.125747460E+04, -1.667391370E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "S2O", @@ -8616,7 +8616,7 @@ species(name = "S2O", -5.457079000E-07, 1.065984200E-10, -7.668824300E-15, -8.775209000E+03, -2.269998360E+00] ) ) - note = "J 9/65" + # note = "J 9/65" ) species(name = "S8", @@ -8629,7 +8629,7 @@ species(name = "S8", -5.372259460E-07, 9.281228530E-11, -5.819513400E-15, 5.533443240E+03, -6.748052870E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Si", @@ -8642,7 +8642,7 @@ species(name = "Si", 1.930516770E-07, -4.564851070E-11, 3.364117160E-15, 5.338299330E+04, 5.606574230E+00] ) ) - note = "J 3/83" + # note = "J 3/83" ) species(name = "Si+", @@ -8655,7 +8655,7 @@ species(name = "Si+", 6.540241550E-08, -1.162246550E-11, 7.559612720E-16, 1.487034130E+05, 4.731718480E+00] ) ) - note = "J 3/83" + # note = "J 3/83" ) species(name = "SiBr", @@ -8668,7 +8668,7 @@ species(name = "SiBr", 7.083899200E-08, -1.433485600E-11, 1.407673900E-15, 2.693345900E+04, 3.224972590E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiBr2", @@ -8681,7 +8681,7 @@ species(name = "SiBr2", -2.013858900E-07, 4.435117200E-11, -2.923965100E-15, -8.359298000E+03, -1.819557110E+00] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SiBr3", @@ -8694,7 +8694,7 @@ species(name = "SiBr3", -2.146059500E-07, 4.233826900E-11, -3.067079400E-15, -2.724450600E+04, -1.270130800E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SiBr4", @@ -8707,7 +8707,7 @@ species(name = "SiBr4", -2.812895100E-07, 5.547441400E-11, -4.017595900E-15, -5.385052100E+04, -2.586090900E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiC", @@ -8720,7 +8720,7 @@ species(name = "SiC", 7.548304700E-07, -1.654377800E-10, 1.266334500E-14, 8.504612000E+04, -5.650196310E+00] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "SiC2", @@ -8733,7 +8733,7 @@ species(name = "SiC2", -1.145776900E-06, 3.103876800E-10, -2.776389700E-14, 7.202339100E+04, -4.973732110E+00] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "SiC4H12", @@ -8746,7 +8746,7 @@ species(name = "SiC4H12", -1.263708910E-05, 2.268685110E-09, -1.542694770E-13, -4.013813660E+04, -3.363411950E+01] ) ) - note = "J12/60" + # note = "J12/60" ) species(name = "SiCL", @@ -8759,7 +8759,7 @@ species(name = "SiCL", -5.360624700E-08, 9.573154900E-12, -4.453089200E-16, 2.251314500E+04, 3.444958210E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiCL2", @@ -8772,7 +8772,7 @@ species(name = "SiCL2", -1.981135100E-07, 3.700587300E-11, -2.071439400E-15, -2.236071900E+04, -4.274870200E+00] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SiCL3", @@ -8785,7 +8785,7 @@ species(name = "SiCL3", -3.299404900E-07, 6.498997300E-11, -4.702324100E-15, -4.993006800E+04, -1.564801100E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SiCL4", @@ -8798,7 +8798,7 @@ species(name = "SiCL4", -4.416786500E-07, 8.448157300E-11, -5.949158000E-15, -8.359025000E+04, -2.992693360E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "SiF", @@ -8811,7 +8811,7 @@ species(name = "SiF", -1.867767500E-07, 3.524209300E-11, -2.301504600E-15, -3.725861900E+03, 3.388586690E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiF2", @@ -8824,7 +8824,7 @@ species(name = "SiF2", -4.712975800E-07, 9.017476400E-11, -6.137090500E-15, -7.272708300E+04, -4.359947570E+00] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SiF3", @@ -8837,7 +8837,7 @@ species(name = "SiF3", -8.317712500E-07, 1.629071800E-10, -1.173853300E-14, -1.333998700E+05, -1.483438900E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SiF4", @@ -8850,7 +8850,7 @@ species(name = "SiF4", -1.264631400E-06, 2.474686300E-10, -1.782429600E-14, -1.979055000E+05, -2.750747800E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SiH", @@ -8863,7 +8863,7 @@ species(name = "SiH", -6.207267700E-07, 1.151827000E-10, -7.628977300E-15, 4.433112600E+04, 6.044655450E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH+", @@ -8876,7 +8876,7 @@ species(name = "SiH+", -5.903855500E-07, 1.051740000E-10, -6.822023400E-15, 1.370795400E+05, 5.040350140E+00] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "SiHBr3", @@ -8889,7 +8889,7 @@ species(name = "SiHBr3", -1.211258100E-06, 2.300491600E-10, -1.623350400E-14, -3.984657600E+04, -1.803406580E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiHCL3", @@ -8902,7 +8902,7 @@ species(name = "SiHCL3", -1.378717100E-06, 2.626607300E-10, -1.857488600E-14, -6.307084900E+04, -2.047205850E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiHF3", @@ -8915,7 +8915,7 @@ species(name = "SiHF3", -1.947753100E-06, 3.730079400E-10, -2.647397300E-14, -1.476565800E+05, -1.882697730E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SiHI3", @@ -8928,7 +8928,7 @@ species(name = "SiHI3", -1.092190300E-06, 2.072068700E-10, -1.460985400E-14, -1.239734500E+04, -1.609503420E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH2", @@ -8941,7 +8941,7 @@ species(name = "SiH2", -8.439625200E-07, 1.832333000E-10, -1.411436500E-14, 2.716569900E+04, -1.006463100E+01] ) ) - note = "TPIS79" + # note = "TPIS79" ) species(name = "SiH2Br2", @@ -8954,7 +8954,7 @@ species(name = "SiH2Br2", -2.109756400E-06, 3.987215500E-10, -2.803583800E-14, -2.584247500E+04, -1.137119140E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH2CL2", @@ -8967,7 +8967,7 @@ species(name = "SiH2CL2", -2.233672900E-06, 4.227481200E-10, -2.975568400E-14, -4.146850300E+04, -1.288676270E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH2F2", @@ -8980,7 +8980,7 @@ species(name = "SiH2F2", -2.627235200E-06, 4.990908500E-10, -3.522164100E-14, -9.791874500E+04, -1.167256940E+01] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SiH2I2", @@ -8993,7 +8993,7 @@ species(name = "SiH2I2", -2.016144500E-06, 3.804369900E-10, -2.672058400E-14, -7.541766700E+03, -1.029735490E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH3", @@ -9006,7 +9006,7 @@ species(name = "SiH3", -2.612209600E-06, 4.957969500E-10, -3.496052000E-14, 2.340680100E+04, 1.518084230E-01] ) ) - note = "TPIS79" + # note = "TPIS79" ) species(name = "SiH3Br", @@ -9019,7 +9019,7 @@ species(name = "SiH3Br", -2.973507500E-06, 5.606185700E-10, -3.935084700E-14, -1.187990000E+04, -6.178265690E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH3CL", @@ -9032,7 +9032,7 @@ species(name = "SiH3CL", -3.044159000E-06, 5.743962000E-10, -4.034092900E-14, -1.951493000E+04, -6.867643670E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH3F", @@ -9045,7 +9045,7 @@ species(name = "SiH3F", -3.250275800E-06, 6.145479200E-10, -4.322377400E-14, -4.768848600E+04, -6.210022920E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SiH3I", @@ -9058,7 +9058,7 @@ species(name = "SiH3I", -2.910274000E-06, 5.484146700E-10, -3.848008800E-14, -2.737352700E+03, -5.828451560E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiH4", @@ -9071,7 +9071,7 @@ species(name = "SiH4", -3.790539600E-06, 7.136988800E-10, -5.004628600E-14, 2.134462700E+03, -2.727687040E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SiI", @@ -9084,7 +9084,7 @@ species(name = "SiI", 1.919967400E-07, -3.888655300E-11, 3.855242200E-15, 3.626172700E+04, 2.301669200E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "SiI2", @@ -9097,7 +9097,7 @@ species(name = "SiI2", -1.952786440E-07, 4.358232010E-11, -2.899867920E-15, 9.069753640E+03, 1.290972130E-02] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "SiN", @@ -9110,7 +9110,7 @@ species(name = "SiN", 5.426953900E-07, -1.795101700E-10, 1.633706900E-14, 4.352480900E+04, 3.174680020E+00] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "SiO", @@ -9123,7 +9123,7 @@ species(name = "SiO", -3.252539600E-07, 5.732496200E-11, -3.510894400E-15, -1.331743000E+04, 3.661003390E+00] ) ) - note = "J 9/67" + # note = "J 9/67" ) species(name = "SiO2", @@ -9136,7 +9136,7 @@ species(name = "SiO2", -7.519419400E-07, 1.418058400E-10, -9.885641700E-15, -3.876781600E+04, -6.847187110E+00] ) ) - note = "J 9/67" + # note = "J 9/67" ) species(name = "SiS", @@ -9149,7 +9149,7 @@ species(name = "SiS", -1.500517200E-07, 2.324255700E-11, -6.056886700E-16, 1.141775300E+04, 2.868882320E+00] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "Si2", @@ -9162,7 +9162,7 @@ species(name = "Si2", -4.307837600E-07, 1.135520600E-10, -9.626287100E-15, 6.913318500E+04, -1.910294810E+00] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "Si2C", @@ -9175,7 +9175,7 @@ species(name = "Si2C", -7.280521400E-07, 2.326942400E-10, -2.328514800E-14, 6.230099900E+04, -7.283478510E+00] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "Si2N", @@ -9188,7 +9188,7 @@ species(name = "Si2N", -3.951713000E-07, 7.439714500E-11, -5.028469100E-15, 4.562015400E+04, -7.798277660E+00] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "Si3", @@ -9201,7 +9201,7 @@ species(name = "Si3", 8.982077500E-08, 7.193596400E-12, -2.567083700E-15, 7.414669900E+04, -1.035211100E+01] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "Sr", @@ -9214,7 +9214,7 @@ species(name = "Sr", -1.074533950E-06, 3.575309760E-10, -3.056132800E-14, 1.910410430E+04, 7.880299280E+00] ) ) - note = "L 4/93" + # note = "L 4/93" ) species(name = "SrBr", @@ -9227,7 +9227,7 @@ species(name = "SrBr", -2.597612600E-07, 7.932074700E-11, -6.608383000E-15, -1.202507300E+04, 6.873710790E+00] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "SrCL", @@ -9240,7 +9240,7 @@ species(name = "SrCL", -2.446131200E-07, 7.328436500E-11, -5.973332500E-15, -1.620878100E+04, 5.525255930E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrCL2", @@ -9253,7 +9253,7 @@ species(name = "SrCL2", -5.185408000E-08, 1.004883100E-11, -7.158434800E-16, -5.900690400E+04, -1.354348390E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrF", @@ -9266,7 +9266,7 @@ species(name = "SrF", -2.692589600E-07, 7.356008000E-11, -5.721376000E-15, -3.674029900E+04, 4.466078690E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrF+", @@ -9279,7 +9279,7 @@ species(name = "SrF+", 1.221524800E-06, -1.633297100E-10, 3.258450900E-15, 2.188214000E+04, -3.901420320E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrF2", @@ -9292,7 +9292,7 @@ species(name = "SrF2", -1.215887800E-07, 2.347878000E-11, -1.667519200E-15, -9.423363200E+04, -3.641953890E+00] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrI2", @@ -9305,7 +9305,7 @@ species(name = "SrI2", -2.009327400E-08, 3.915550600E-12, -2.803098000E-16, -3.530033300E+04, -1.708769270E+00] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "SrO", @@ -9318,7 +9318,7 @@ species(name = "SrO", 7.884232200E-06, -1.903587700E-09, 1.514654700E-13, -4.749948700E+03, -2.579817000E+01] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "SrOH", @@ -9331,7 +9331,7 @@ species(name = "SrOH", -6.833964700E-07, 1.410706800E-10, -1.041503900E-14, -2.638917300E+04, -1.387387540E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "SrOH+", @@ -9344,7 +9344,7 @@ species(name = "SrOH+", -4.324501900E-07, 6.234242900E-11, -3.479748400E-15, 3.687410700E+04, -2.770683580E+00] ) ) - note = "J 6/76" + # note = "J 6/76" ) species(name = "SrO2H2", @@ -9357,7 +9357,7 @@ species(name = "SrO2H2", -8.479100700E-07, 1.213249300E-10, -6.715418300E-15, -7.448503500E+04, -1.560266800E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "SrS", @@ -9370,7 +9370,7 @@ species(name = "SrS", 8.658841700E-06, -2.295548200E-09, 1.965968300E-13, 1.030141900E+04, -2.007626680E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Ta", @@ -9383,7 +9383,7 @@ species(name = "Ta", -1.070559400E-06, 2.023885300E-10, -1.397017300E-14, 9.351776200E+04, 1.298270600E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "TaO", @@ -9396,7 +9396,7 @@ species(name = "TaO", -6.538457800E-07, 1.778431400E-10, -1.691940500E-14, 2.199415100E+04, 8.526958990E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "TaO2", @@ -9409,7 +9409,7 @@ species(name = "TaO2", -5.651741300E-07, 1.311378700E-10, -1.056443700E-14, -2.616948100E+04, -1.073998010E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ti", @@ -9422,7 +9422,7 @@ species(name = "Ti", 7.585710900E-07, -1.270737730E-10, 6.908192790E-15, 5.612367280E+04, 4.730018880E+00] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "Ti+", @@ -9435,7 +9435,7 @@ species(name = "Ti+", 7.822667350E-07, -1.438532270E-10, 8.952843940E-15, 1.358557350E+05, 1.531501800E+00] ) ) - note = "J 3/84" + # note = "J 3/84" ) species(name = "Ti-", @@ -9448,7 +9448,7 @@ species(name = "Ti-", 3.643232750E-08, -6.316400980E-12, 3.970350410E-16, 5.456434670E+04, 7.457110660E+00] ) ) - note = "J 3/84" + # note = "J 3/84" ) species(name = "TiCL", @@ -9461,7 +9461,7 @@ species(name = "TiCL", 1.571976100E-07, -3.856708900E-11, 3.073966300E-15, 1.685767400E+04, -4.944726710E-01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "TiCL2", @@ -9474,7 +9474,7 @@ species(name = "TiCL2", 8.012151800E-07, -1.904803000E-10, 1.496154500E-14, -3.091580500E+04, -1.075260110E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "TiCL3", @@ -9487,7 +9487,7 @@ species(name = "TiCL3", -2.150487300E-07, 4.533701800E-11, -3.454683800E-15, -6.806125000E+04, -1.951065320E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "TiCL4", @@ -9500,7 +9500,7 @@ species(name = "TiCL4", -3.174607800E-07, 6.260395800E-11, -4.533703800E-15, -9.566907800E+04, -2.847159560E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "TiO", @@ -9513,7 +9513,7 @@ species(name = "TiO", -4.544446400E-07, 1.304365800E-10, -1.152255700E-14, 5.198348300E+03, 4.122370430E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "TiOCL", @@ -9526,7 +9526,7 @@ species(name = "TiOCL", -3.395308900E-07, 6.666706900E-11, -4.813294600E-15, -3.158231100E+04, -7.753816130E+00] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "TiOCL2", @@ -9539,7 +9539,7 @@ species(name = "TiOCL2", -3.382737800E-07, 6.648386300E-11, -4.803379300E-15, -6.857264500E+04, -1.514417720E+01] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "TiO2", @@ -9552,7 +9552,7 @@ species(name = "TiO2", -6.640306200E-07, 1.385738000E-10, -9.884218400E-15, -3.870059300E+04, -2.795999030E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "V", @@ -9565,7 +9565,7 @@ species(name = "V", -4.973203000E-07, 1.677523300E-10, -1.520255200E-14, 6.106427300E+04, 5.106214690E+00] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "VCL4", @@ -9578,7 +9578,7 @@ species(name = "VCL4", 1.416149800E-07, -3.476183300E-11, 2.288976300E-15, -6.718799200E+04, -2.884801030E+01] ) ) - note = "L 2/76" + # note = "L 2/76" ) species(name = "VN", @@ -9591,7 +9591,7 @@ species(name = "VN", -3.577633500E-07, 1.074886200E-10, -9.727550500E-15, 6.151154000E+04, 3.776186610E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "VO", @@ -9604,7 +9604,7 @@ species(name = "VO", -4.226378600E-07, 1.160883800E-10, -1.007072400E-14, 1.406520400E+04, 5.071854090E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "VO2", @@ -9617,7 +9617,7 @@ species(name = "VO2", -5.053637900E-07, 9.672361100E-11, -6.824588300E-15, -2.998380200E+04, -2.738025110E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Xe", @@ -9630,7 +9630,7 @@ species(name = "Xe", 6.753268970E-11, -1.709449090E-14, 1.476810490E-18, -7.453941860E+02, 6.164128980E+00] ) ) - note = "L12/91" + # note = "L12/91" ) species(name = "Xe+", @@ -9643,7 +9643,7 @@ species(name = "Xe+", 8.095946390E-08, -1.142892340E-11, 4.820814060E-16, 1.407301170E+05, 7.090570690E+00] ) ) - note = "L10/92" + # note = "L10/92" ) species(name = "Zn", @@ -9656,7 +9656,7 @@ species(name = "Zn", 2.431302410E-08, -8.390587540E-12, 1.026768920E-15, 1.493414490E+04, 5.053311450E+00] ) ) - note = "L 7/93" + # note = "L 7/93" ) species(name = "Zn+", @@ -9669,7 +9669,7 @@ species(name = "Zn+", -1.602871690E-08, 1.437950310E-12, 2.928986900E-16, 1.239564040E+05, 5.919216830E+00] ) ) - note = "L 7/93" + # note = "L 7/93" ) species(name = "Zn-", @@ -9682,7 +9682,7 @@ species(name = "Zn-", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.246887330E+04, 5.812020780E+00] ) ) - note = "J12/78" + # note = "J12/78" ) species(name = "Zr", @@ -9695,7 +9695,7 @@ species(name = "Zr", -1.074326360E-07, 2.387445160E-11, -2.176322960E-15, 7.279181660E+04, 7.579514510E+00] ) ) - note = "L 7/93" + # note = "L 7/93" ) species(name = "ZrN", @@ -9708,7 +9708,7 @@ species(name = "ZrN", -1.446331070E-07, 2.476063740E-11, -1.542802020E-15, 8.446142000E+04, 4.159379060E+00] ) ) - note = "J 6/63" + # note = "J 6/63" ) species(name = "ZrO", @@ -9721,7 +9721,7 @@ species(name = "ZrO", 1.159575740E-06, -1.802990210E-10, 1.017588760E-14, 7.681803770E+03, -1.421925510E+01] ) ) - note = "L 7/93" + # note = "L 7/93" ) species(name = "ZrO2", @@ -9734,7 +9734,7 @@ species(name = "ZrO2", -4.333718200E-07, 8.495458900E-11, -6.126664800E-15, -3.644617800E+04, -2.709789120E+00] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "AL(cr)", @@ -9747,7 +9747,7 @@ species(name = "AL(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "AL(L)", @@ -9760,7 +9760,7 @@ species(name = "AL(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.496518080E+01, -1.752297040E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "ALBr3(s)", @@ -9773,7 +9773,7 @@ species(name = "ALBr3(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.417051000E+04, -1.787690100E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALBr3(L)", @@ -9786,7 +9786,7 @@ species(name = "ALBr3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.478372900E+04, -6.079910100E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALCL3(s)", @@ -9799,7 +9799,7 @@ species(name = "ALCL3(s)", -3.285924800E-09, 0.000000000E+00, 0.000000000E+00, -8.766678300E+04, -3.450172200E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALCL3(L)", @@ -9812,7 +9812,7 @@ species(name = "ALCL3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.566207900E+04, -6.521841900E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALF3(a)", @@ -9825,7 +9825,7 @@ species(name = "ALF3(a)", -1.224940500E-04, 7.624136200E-08, 1.584368700E-12, -1.829403200E+05, 9.357068300E+00] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALF3(b)", @@ -9838,7 +9838,7 @@ species(name = "ALF3(b)", -8.808307700E-07, 2.855788300E-10, -3.460726300E-14, -1.849220500E+05, -5.237140200E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALF3(L)", @@ -9851,7 +9851,7 @@ species(name = "ALF3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.799868600E+05, -8.004910300E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALI3(s)", @@ -9864,7 +9864,7 @@ species(name = "ALI3(s)", 1.644300500E-07, 0.000000000E+00, 0.000000000E+00, -3.947666600E+04, -2.834459500E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALI3(L)", @@ -9877,7 +9877,7 @@ species(name = "ALI3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.916333200E+04, -5.624832200E+01] ) ) - note = "J 9/79" + # note = "J 9/79" ) species(name = "ALN(s)", @@ -9890,7 +9890,7 @@ species(name = "ALN(s)", -1.902976500E-06, 5.252341100E-10, -5.513306600E-14, -3.978184300E+04, -2.219014500E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "AL2O3(a)", @@ -9903,7 +9903,7 @@ species(name = "AL2O3(a)", -1.786319100E-07, -5.600880700E-10, 1.407682500E-13, -2.057113100E+05, -6.359983500E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "AL2O3(L)", @@ -9916,7 +9916,7 @@ species(name = "AL2O3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.114052000E+05, -1.386020500E+02] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "AL2SiO5(an)", @@ -9929,7 +9929,7 @@ species(name = "AL2SiO5(an)", -3.708471800E-06, 1.068828300E-09, -1.176395000E-13, -3.179415100E+05, -9.173874400E+01] ) ) - note = "J 9/67" + # note = "J 9/67" ) species(name = "AL6Si2O13(s)", @@ -9942,7 +9942,7 @@ species(name = "AL6Si2O13(s)", -1.467551200E-05, 3.888584800E-09, -3.666048200E-13, -8.368641700E+05, -2.373956500E+02] ) ) - note = "J 9/67" + # note = "J 9/67" ) species(name = "B(b)", @@ -9955,7 +9955,7 @@ species(name = "B(b)", -7.978794980E-07, 2.027645120E-10, -1.920283450E-14, -7.832028990E+02, -1.064332980E+01] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "B(L)", @@ -9968,7 +9968,7 @@ species(name = "B(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 3.360992750E+03, -2.073264730E+01] ) ) - note = "J 6/83" + # note = "J 6/83" ) species(name = "BN(s)", @@ -9981,7 +9981,7 @@ species(name = "BN(s)", -1.928177050E-06, 3.601707480E-10, -2.367060550E-14, -3.146301260E+04, -1.541877350E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "B2O3(L)", @@ -9994,7 +9994,7 @@ species(name = "B2O3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.568445500E+05, -8.312644400E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "B3O3H3(cr)", @@ -10007,7 +10007,7 @@ species(name = "B3O3H3(cr)", -8.106094360E-05, 3.273228400E-08, -5.016119480E-12, -1.511097220E+05, 7.015361500E+01] ) ) - note = "J 3/65" + # note = "J 3/65" ) species(name = "Ba(cr)", @@ -10020,7 +10020,7 @@ species(name = "Ba(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Ba(L)", @@ -10033,7 +10033,7 @@ species(name = "Ba(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.920623810E+02, -2.000275710E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "BaBr2(s)", @@ -10046,7 +10046,7 @@ species(name = "BaBr2(s)", -2.401162900E-07, 0.000000000E+00, 0.000000000E+00, -9.368498200E+04, -2.977180800E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BaBr2(L)", @@ -10059,7 +10059,7 @@ species(name = "BaBr2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.293641800E+04, -5.391667300E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BaCL2(a)", @@ -10072,7 +10072,7 @@ species(name = "BaCL2(a)", -8.180193700E-07, -2.365137600E-10, 1.832684000E-12, -1.069377700E+05, -4.892674600E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaCL2(b)", @@ -10085,7 +10085,7 @@ species(name = "BaCL2(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.099413500E+05, -7.527270200E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaCL2(L)", @@ -10098,7 +10098,7 @@ species(name = "BaCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.057805900E+05, -6.081864700E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaF2(a)", @@ -10111,7 +10111,7 @@ species(name = "BaF2(a)", 4.420106100E-05, 5.582469000E-09, -1.390691200E-11, -1.378991900E+05, 4.447293200E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaF2(b,c)", @@ -10124,7 +10124,7 @@ species(name = "BaF2(b,c)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.503317500E+05, -6.538366300E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaF2(L)", @@ -10137,7 +10137,7 @@ species(name = "BaF2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.459771500E+05, -5.670128200E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "BaO(s)", @@ -10150,7 +10150,7 @@ species(name = "BaO(s)", -6.024951300E-07, 1.740001700E-10, -1.859479100E-14, -6.771968700E+04, -2.384852100E+01] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "BaO(L)", @@ -10163,7 +10163,7 @@ species(name = "BaO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.322373700E+04, -3.681860100E+01] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "BaO2H2(s)", @@ -10176,7 +10176,7 @@ species(name = "BaO2H2(s)", -1.491507200E-04, 1.346251400E-07, -4.271540900E-11, -1.160355200E+05, -3.107507800E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BaO2H2(L)", @@ -10189,7 +10189,7 @@ species(name = "BaO2H2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.179749800E+05, -8.335161100E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BaS(s)", @@ -10202,7 +10202,7 @@ species(name = "BaS(s)", -1.927981000E-07, 6.660900700E-11, -8.328041100E-15, -5.762453800E+04, -2.471073700E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Be(a)", @@ -10215,7 +10215,7 @@ species(name = "Be(a)", -4.862417570E-06, 2.398340170E-09, -4.371865520E-13, -4.105251290E+02, -4.799617160E+00] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Be(b)", @@ -10228,7 +10228,7 @@ species(name = "Be(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.522291920E+02, -2.002910240E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Be(L)", @@ -10241,7 +10241,7 @@ species(name = "Be(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.074755800E+02, -1.895341260E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "BeAL2O4(s)", @@ -10254,7 +10254,7 @@ species(name = "BeAL2O4(s)", 2.304395400E-05, -1.549368300E-08, 3.602494000E-12, -2.833630100E+05, -1.074722200E+02] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "BeAL2O4(L)", @@ -10267,7 +10267,7 @@ species(name = "BeAL2O4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.805698200E+05, -1.711695400E+02] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "BeBr2(s)", @@ -10280,7 +10280,7 @@ species(name = "BeBr2(s)", -4.332163900E-05, 2.305800600E-08, -4.574964100E-12, -4.297125100E+04, 1.670886900E+01] ) ) - note = "J 6/75" + # note = "J 6/75" ) species(name = "BeCL2(s)", @@ -10293,7 +10293,7 @@ species(name = "BeCL2(s)", -4.891360500E-06, -2.960415800E-08, 2.353486100E-11, -6.072210000E+04, -1.257977200E+01] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "BeCL2(L)", @@ -10306,7 +10306,7 @@ species(name = "BeCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.449841700E+04, -7.644878400E+01] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "BeF2(Lqz)", @@ -10319,7 +10319,7 @@ species(name = "BeF2(Lqz)", -1.203239800E-04, 8.980055500E-07, -9.666926400E-10, -1.269370800E+05, -9.178511300E+01] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "BeF2(hqz)", @@ -10332,7 +10332,7 @@ species(name = "BeF2(hqz)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.252888400E+05, -2.709138900E+01] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "BeF2(L)", @@ -10345,7 +10345,7 @@ species(name = "BeF2(L)", 1.875440300E-07, -3.601948200E-10, 9.133882200E-14, -1.251136100E+05, -2.902624800E+01] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "BeI2(s)", @@ -10358,7 +10358,7 @@ species(name = "BeI2(s)", -2.889520400E-05, 4.007660400E-09, 6.405170200E-12, -2.444696800E+04, -7.553091900E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeI2(L)", @@ -10371,7 +10371,7 @@ species(name = "BeI2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.599331200E+04, -6.331357300E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeO(a)", @@ -10384,7 +10384,7 @@ species(name = "BeO(a)", -3.058325910E-06, 9.914014330E-10, -1.234425710E-13, -7.451407610E+04, -1.852395820E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BeO(b)", @@ -10397,7 +10397,7 @@ species(name = "BeO(b)", 6.527335910E-06, -1.730938890E-09, 1.709864940E-13, -7.817596100E+04, -7.054176310E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BeO(L)", @@ -10410,7 +10410,7 @@ species(name = "BeO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.420164130E+04, -5.806354420E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "BeO2H2(b)", @@ -10423,7 +10423,7 @@ species(name = "BeO2H2(b)", -1.415202900E-04, 1.142166500E-07, -3.510553500E-11, -1.095071100E+05, 2.661606100E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "BeS(s)", @@ -10436,7 +10436,7 @@ species(name = "BeS(s)", -4.131404500E-06, 1.244993000E-09, -1.382194700E-13, -2.956653000E+04, -1.739132600E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Be2C(s)", @@ -10449,7 +10449,7 @@ species(name = "Be2C(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.550732400E+04, -2.408612100E+01] ) ) - note = "BAR 73" + # note = "BAR 73" ) species(name = "Be2C(L)", @@ -10462,7 +10462,7 @@ species(name = "Be2C(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.496964100E+04, -6.577511600E+01] ) ) - note = "BAR 73" + # note = "BAR 73" ) species(name = "Br2(cr)", @@ -10475,7 +10475,7 @@ species(name = "Br2(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "Br2(L)", @@ -10488,7 +10488,7 @@ species(name = "Br2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "L 1/93" + # note = "L 1/93" ) species(name = "C(gr)", @@ -10501,7 +10501,7 @@ species(name = "C(gr)", -6.975627860E-07, 1.352770320E-10, -9.675906520E-15, -6.951388140E+02, -8.525830330E+00] ) ) - note = "X 4/83" + # note = "X 4/83" ) species(name = "C6H6(L)", @@ -10514,7 +10514,7 @@ species(name = "C6H6(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "X10/86" + # note = "X10/86" ) species(name = "C7H8(L)", @@ -10527,7 +10527,7 @@ species(name = "C7H8(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "X10/86" + # note = "X10/86" ) species(name = "C8H18(L),n-octa", @@ -10540,7 +10540,7 @@ species(name = "C8H18(L),n-octa", 1.834199000E-03, -2.045016500E-06, 0.000000000E+00, -4.124372500E+04, -2.772224000E+02] ) ) - note = "X10/76" + # note = "X10/76" ) species(name = "Jet-A(L)", @@ -10553,7 +10553,7 @@ species(name = "Jet-A(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "L 6/88" + # note = "L 6/88" ) species(name = "Ca(a)", @@ -10566,7 +10566,7 @@ species(name = "Ca(a)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Ca(b)", @@ -10579,7 +10579,7 @@ species(name = "Ca(b)", 4.022125180E-06, 0.000000000E+00, 0.000000000E+00, -1.516763610E+03, -2.607581340E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Ca(L)", @@ -10592,7 +10592,7 @@ species(name = "Ca(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.822433080E+02, -2.119886430E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "CaBr2(s)", @@ -10605,7 +10605,7 @@ species(name = "CaBr2(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.393967400E+04, -2.252384300E+01] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "CaBr2(L)", @@ -10618,7 +10618,7 @@ species(name = "CaBr2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.542873800E+04, -6.315165900E+01] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "CaCO3(caL)", @@ -10631,7 +10631,7 @@ species(name = "CaCO3(caL)", 2.043331030E-06, 0.000000000E+00, 0.000000000E+00, -1.504007100E+05, -7.284454890E+01] ) ) - note = "BAR 89" + # note = "BAR 89" ) species(name = "CaCL2(s)", @@ -10644,7 +10644,7 @@ species(name = "CaCL2(s)", 9.446737700E-07, 4.585186300E-10, -5.974952900E-14, -9.830808000E+04, -3.723666700E+01] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "CaCL2(L)", @@ -10657,7 +10657,7 @@ species(name = "CaCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.802395200E+04, -5.804746800E+01] ) ) - note = "J 6/70" + # note = "J 6/70" ) species(name = "CaF2(a)", @@ -10670,7 +10670,7 @@ species(name = "CaF2(a)", -2.047961130E-05, 1.033819960E-08, -1.918437680E-12, -1.480104450E+05, -2.080489250E+00] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "CaF2(b)", @@ -10683,7 +10683,7 @@ species(name = "CaF2(b)", 1.417754010E-06, -2.812320820E-10, 0.000000000E+00, -1.554533200E+05, -7.918663600E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "CaF2(L)", @@ -10696,7 +10696,7 @@ species(name = "CaF2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.479082920E+05, -6.049279840E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "CaO(s)", @@ -10709,7 +10709,7 @@ species(name = "CaO(s)", -2.557689900E-07, 5.451439500E-11, -4.257995000E-15, -7.823838100E+04, -2.822337200E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "CaO(L)", @@ -10722,7 +10722,7 @@ species(name = "CaO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.117929200E+04, -3.808394800E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "CaO2H2(s)", @@ -10735,7 +10735,7 @@ species(name = "CaO2H2(s)", -1.319128100E-04, 1.198906800E-07, -4.061304500E-11, -1.204354300E+05, -1.009707500E+00] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "CaS(s)", @@ -10748,7 +10748,7 @@ species(name = "CaS(s)", -7.278117600E-07, 2.498976300E-10, -3.096812600E-14, -5.871034100E+04, -2.590639500E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "CaSO4(s)", @@ -10761,7 +10761,7 @@ species(name = "CaSO4(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.755324200E+05, -3.882013400E+01] ) ) - note = "BAR 73" + # note = "BAR 73" ) species(name = "Cr(cr)", @@ -10774,7 +10774,7 @@ species(name = "Cr(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "Cr(L)", @@ -10787,7 +10787,7 @@ species(name = "Cr(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.753592210E+02, -2.453183090E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "CrN(s)", @@ -10800,7 +10800,7 @@ species(name = "CrN(s)", 2.270582900E-07, -8.148325400E-11, 1.080379600E-14, -1.583600200E+04, -2.813170400E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Cr2N(s)", @@ -10813,7 +10813,7 @@ species(name = "Cr2N(s)", 1.422730600E-06, -5.589639000E-10, 6.930711000E-14, -1.768480100E+04, -3.914747200E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Cr2O3(s)", @@ -10826,7 +10826,7 @@ species(name = "Cr2O3(s)", -2.377922600E-07, 1.699508500E-10, -3.770585700E-14, -1.409821700E+05, -7.110156900E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Cr2O3(L)", @@ -10839,7 +10839,7 @@ species(name = "Cr2O3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.336949800E+05, -9.996147000E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Cs(cr)", @@ -10852,7 +10852,7 @@ species(name = "Cs(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "Cs(L)", @@ -10865,7 +10865,7 @@ species(name = "Cs(L)", 2.015552570E-06, 3.642025990E-10, -5.439745010E-14, -1.138417670E+03, -1.705676240E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "CsCL(a)", @@ -10878,7 +10878,7 @@ species(name = "CsCL(a)", 8.357033000E-07, -9.957164000E-10, 3.805480300E-13, -5.502653500E+04, -2.016426000E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "CsCL(b)", @@ -10891,7 +10891,7 @@ species(name = "CsCL(b)", -2.250851600E-07, 3.930731700E-09, -2.345234100E-12, -5.548043100E+04, -3.394139600E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "CsCL(L)", @@ -10904,7 +10904,7 @@ species(name = "CsCL(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.503116100E+04, -4.081013300E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "CsF(s)", @@ -10917,7 +10917,7 @@ species(name = "CsF(s)", 6.624238200E-07, -6.308487100E-10, 1.869233900E-13, -6.848510200E+04, -2.214995900E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "CsF(L)", @@ -10930,7 +10930,7 @@ species(name = "CsF(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.806681700E+04, -3.991277400E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "CsOH(a)", @@ -10943,7 +10943,7 @@ species(name = "CsOH(a)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "CsOH(b)", @@ -10956,7 +10956,7 @@ species(name = "CsOH(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "CsOH(c)", @@ -10969,7 +10969,7 @@ species(name = "CsOH(c)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "CsOH(L)", @@ -10982,7 +10982,7 @@ species(name = "CsOH(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.175247220E+04, -4.165596050E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "Cs2SO4(II)", @@ -10995,7 +10995,7 @@ species(name = "Cs2SO4(II)", -2.955320600E-04, 3.320730800E-07, -1.310499100E-10, -1.762335200E+05, 1.518574700E+01] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "Cs2SO4(I)", @@ -11008,7 +11008,7 @@ species(name = "Cs2SO4(I)", -1.130053100E-05, 3.328310800E-09, 0.000000000E+00, -1.702116300E+05, 2.483998800E+01] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "Cs2SO4(L)", @@ -11021,7 +11021,7 @@ species(name = "Cs2SO4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.777619800E+05, -1.166574400E+02] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "Cu(cr)", @@ -11034,7 +11034,7 @@ species(name = "Cu(cr)", 3.051459170E-06, -2.111627880E-09, 6.998583970E-13, -9.902956360E+02, -1.519322940E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "Cu(L)", @@ -11047,7 +11047,7 @@ species(name = "Cu(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.106346690E+02, -1.835856760E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "CuF(s)", @@ -11060,7 +11060,7 @@ species(name = "CuF(s)", -3.544004800E-06, 1.110902300E-09, -1.245371600E-13, -3.552171500E+04, -2.390264300E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "CuF2(s)", @@ -11073,7 +11073,7 @@ species(name = "CuF2(s)", -6.399519300E-06, 0.000000000E+00, 0.000000000E+00, -6.561062200E+04, -7.162675700E+00] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "CuF2(L)", @@ -11086,7 +11086,7 @@ species(name = "CuF2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.348799800E+04, -5.673037000E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "CuO(s)", @@ -11099,7 +11099,7 @@ species(name = "CuO(s)", -1.376829400E-06, 5.349283100E-10, -7.966428100E-14, -2.043328100E+04, -2.437669500E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "CuO2H2(s)", @@ -11112,7 +11112,7 @@ species(name = "CuO2H2(s)", -4.699484100E-06, -5.029251300E-10, 5.359316000E-13, -5.723038200E+04, -3.936616100E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "CuSO4(s)", @@ -11125,7 +11125,7 @@ species(name = "CuSO4(s)", -1.006356800E-05, 3.720422100E-09, -5.280591400E-13, -9.699820800E+04, -5.625469000E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "Cu2O(s)", @@ -11138,7 +11138,7 @@ species(name = "Cu2O(s)", 1.497119300E-05, -4.484026400E-09, 4.055600500E-13, -2.506506800E+04, -7.054187700E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "Cu2O(L)", @@ -11151,7 +11151,7 @@ species(name = "Cu2O(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.925238700E+04, -5.688686600E+01] ) ) - note = "J12/77" + # note = "J12/77" ) species(name = "Cu2O5S(s)", @@ -11164,7 +11164,7 @@ species(name = "Cu2O5S(s)", -1.844825100E-05, 1.118720400E-08, -2.611198300E-12, -1.176162000E+05, -7.872748900E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "Fe(a)", @@ -11177,7 +11177,7 @@ species(name = "Fe(a)", 2.694274460E-03, 5.544453210E-06, -3.016598230E-09, -1.415475860E+06, -2.492943870E+04] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Fe(c)", @@ -11190,7 +11190,7 @@ species(name = "Fe(c)", 1.683694930E-04, -7.745637020E-08, 1.330912900E-11, -1.653354540E+04, -3.137106680E+02] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Fe(d)", @@ -11203,7 +11203,7 @@ species(name = "Fe(d)", -4.468988920E-04, 8.670709130E-08, 0.000000000E+00, 1.879255340E+05, 2.450576190E+03] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Fe(L)", @@ -11216,7 +11216,7 @@ species(name = "Fe(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.274289410E+03, -2.947722710E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "FeC5O5(L)", @@ -11229,7 +11229,7 @@ species(name = "FeC5O5(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.005248300E+05, -1.196654100E+02] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "FeCL2(s)", @@ -11242,7 +11242,7 @@ species(name = "FeCL2(s)", -1.707274200E-05, 1.351581700E-08, -4.136503600E-12, -4.360098500E+04, -2.899405500E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "FeCL2(L)", @@ -11255,7 +11255,7 @@ species(name = "FeCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.110982100E+04, -5.319305700E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "FeCL3(s)", @@ -11268,7 +11268,7 @@ species(name = "FeCL3(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "FeCL3(L)", @@ -11281,7 +11281,7 @@ species(name = "FeCL3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.841352780E+04, -6.757589900E+01] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "FeO(s)", @@ -11294,7 +11294,7 @@ species(name = "FeO(s)", -9.320814300E-08, -6.599776300E-12, -2.251214300E-14, -3.456690200E+04, -2.644699000E+01] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "FeO(L)", @@ -11307,7 +11307,7 @@ species(name = "FeO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.384861500E+04, -4.007912900E+01] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "Fe(OH)2(s)", @@ -11320,7 +11320,7 @@ species(name = "Fe(OH)2(s)", -1.495761100E-06, -5.052635900E-09, 2.003711100E-12, -7.159226600E+04, -3.467326700E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "Fe(OH)3(s)", @@ -11333,7 +11333,7 @@ species(name = "Fe(OH)3(s)", -1.236937800E-07, -6.819283800E-09, 2.327690700E-12, -1.032133600E+05, -3.793402000E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "FeS(a)", @@ -11346,7 +11346,7 @@ species(name = "FeS(a)", 2.218601600E-04, 0.000000000E+00, 0.000000000E+00, -1.499524200E+04, -7.812543500E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "FeS(b)", @@ -11359,7 +11359,7 @@ species(name = "FeS(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.468973800E+04, -4.208210200E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "FeS(c)", @@ -11372,7 +11372,7 @@ species(name = "FeS(c)", -5.218227400E-05, 3.160717000E-08, -6.412604100E-12, -1.149868400E+04, 1.623912400E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "FeS(L)", @@ -11385,7 +11385,7 @@ species(name = "FeS(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.016423700E+04, -3.197093000E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "FeSO4(s)", @@ -11398,7 +11398,7 @@ species(name = "FeSO4(s)", -9.812638000E-06, 3.608781100E-09, -5.097627900E-13, -1.161918600E+05, -5.647781700E+01] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "FeS2(s)", @@ -11411,7 +11411,7 @@ species(name = "FeS2(s)", -4.105743900E-04, 2.292814600E-07, -4.776441500E-11, -4.651247600E+02, 4.417304500E+02] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Fe2O3(s)", @@ -11424,7 +11424,7 @@ species(name = "Fe2O3(s)", 3.182640600E-05, -8.922633100E-09, 8.465541700E-13, -1.131762700E+05, -2.163508800E+02] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "Fe2S3O12(s)", @@ -11437,7 +11437,7 @@ species(name = "Fe2S3O12(s)", -3.387101400E-08, -2.297039900E-09, 6.410198600E-13, -3.247826200E+05, -1.940042900E+02] ) ) - note = "J 6/66" + # note = "J 6/66" ) species(name = "Fe3O4(s)", @@ -11450,7 +11450,7 @@ species(name = "Fe3O4(s)", -2.633149200E-08, 6.603509400E-12, -5.692468000E-16, -1.412105200E+05, -1.200641200E+02] ) ) - note = "J 6/65" + # note = "J 6/65" ) species(name = "H2O(s)", @@ -11463,7 +11463,7 @@ species(name = "H2O(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "L 8/89" + # note = "L 8/89" ) species(name = "H2O(L)", @@ -11476,7 +11476,7 @@ species(name = "H2O(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "L 8/89" + # note = "L 8/89" ) species(name = "H2SO4(L)", @@ -11489,7 +11489,7 @@ species(name = "H2SO4(L)", 3.497445800E-06, -3.354885700E-09, 1.169958600E-12, -1.018597900E+05, -4.439869500E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Hg(cr)", @@ -11502,7 +11502,7 @@ species(name = "Hg(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J12/61" + # note = "J12/61" ) species(name = "Hg(L)", @@ -11515,7 +11515,7 @@ species(name = "Hg(L)", 6.439011720E-08, -2.923069910E-11, 4.868609180E-15, -8.881705020E+02, -8.172430180E+00] ) ) - note = "J12/61" + # note = "J12/61" ) species(name = "HgBr2(s)", @@ -11528,7 +11528,7 @@ species(name = "HgBr2(s)", 3.422987900E-06, 7.096199200E-10, -4.335386200E-12, -2.295243800E+04, -2.734527600E+01] ) ) - note = "J 3/62" + # note = "J 3/62" ) species(name = "HgBr2(L)", @@ -11541,7 +11541,7 @@ species(name = "HgBr2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.250089800E+04, -4.685121200E+01] ) ) - note = "J 3/62" + # note = "J 3/62" ) species(name = "HgO(s)", @@ -11554,7 +11554,7 @@ species(name = "HgO(s)", -1.489699600E-06, -4.491354800E-09, 2.593792400E-12, -1.223327000E+04, -1.303718500E+01] ) ) - note = "J 6/62" + # note = "J 6/62" ) species(name = "I2(cr)", @@ -11567,7 +11567,7 @@ species(name = "I2(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "I2(L)", @@ -11580,7 +11580,7 @@ species(name = "I2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.204519480E+03, -3.637339270E+01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "K(cr)", @@ -11593,7 +11593,7 @@ species(name = "K(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "K(L)", @@ -11606,7 +11606,7 @@ species(name = "K(L)", 1.808363370E-06, 3.412448680E-11, -4.487821840E-15, -1.014677970E+03, -1.717673470E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "KCN(s)", @@ -11619,7 +11619,7 @@ species(name = "KCN(s)", 3.423772500E-06, -3.496173800E-09, 1.305278000E-12, -1.604820100E+04, -3.094452500E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "KCN(L)", @@ -11632,7 +11632,7 @@ species(name = "KCN(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.522671700E+04, -3.545408300E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "KCL(s)", @@ -11645,7 +11645,7 @@ species(name = "KCL(s)", 4.731018200E-06, 7.015253700E-09, -5.514609800E-12, -5.274706600E+04, -1.014480000E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "KCL(L)", @@ -11658,7 +11658,7 @@ species(name = "KCL(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.336947800E+04, -4.001005900E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "KF(s)", @@ -11671,7 +11671,7 @@ species(name = "KF(s)", 6.391326200E-08, 7.594958900E-09, -3.359810400E-12, -7.124910700E+04, -4.483180400E+01] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "KF(L)", @@ -11684,7 +11684,7 @@ species(name = "KF(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.926802500E+04, -4.117993200E+01] ) ) - note = "J 6/69" + # note = "J 6/69" ) species(name = "KHF2(a)", @@ -11697,7 +11697,7 @@ species(name = "KHF2(a)", 4.390441200E-05, -6.686759900E-07, 8.045416300E-10, -1.125825900E+05, 4.108280000E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "KHF2(b)", @@ -11710,7 +11710,7 @@ species(name = "KHF2(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.145712600E+05, -5.417014000E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "KHF2(L)", @@ -11723,7 +11723,7 @@ species(name = "KHF2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.140430900E+05, -5.587991500E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "KOH(a)", @@ -11736,7 +11736,7 @@ species(name = "KOH(a)", 1.507327200E-05, -1.490611900E-08, 1.055632500E-11, -5.316189800E+04, -2.809885300E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "KOH(b)", @@ -11749,7 +11749,7 @@ species(name = "KOH(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.329164800E+04, -4.336932600E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "KOH(L)", @@ -11762,7 +11762,7 @@ species(name = "KOH(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.262073100E+04, -4.533439200E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "KO2(s)", @@ -11775,7 +11775,7 @@ species(name = "KO2(s)", -8.140230700E-05, 4.294769200E-08, -8.496583200E-12, -3.248998900E+04, 5.968591300E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "K2CO3(s)", @@ -11788,7 +11788,7 @@ species(name = "K2CO3(s)", 8.740989000E-06, 1.149442500E-08, -6.758814900E-12, -1.457784400E+05, -1.104866500E+02] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "K2CO3(L)", @@ -11801,7 +11801,7 @@ species(name = "K2CO3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.474013800E+05, -1.311073000E+02] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "K2O(s)", @@ -11814,7 +11814,7 @@ species(name = "K2O(s)", -4.180668800E-06, 1.798982670E-09, -2.839412510E-13, -4.600094260E+04, -3.174498020E+01] ) ) - note = "J 6/63" + # note = "J 6/63" ) species(name = "K2O2(s)", @@ -11827,7 +11827,7 @@ species(name = "K2O2(s)", 4.865670380E-07, -2.549027230E-10, 4.083861860E-14, -6.318143180E+04, -4.847729020E+01] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "K2S(1)", @@ -11840,7 +11840,7 @@ species(name = "K2S(1)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.721793900E+03, 4.496739300E+02] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "K2S(2)", @@ -11853,7 +11853,7 @@ species(name = "K2S(2)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.311441900E+05, -9.279427500E+02] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "K2S(3)", @@ -11866,7 +11866,7 @@ species(name = "K2S(3)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -5.452495300E+04, -9.166651100E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "K2S(L)", @@ -11879,7 +11879,7 @@ species(name = "K2S(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.652034900E+04, -5.471604300E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "K2SO4(a)", @@ -11892,7 +11892,7 @@ species(name = "K2SO4(a)", -1.763257300E-04, 1.928280300E-07, -7.647089000E-11, -1.759808700E+05, -7.563195100E+00] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "K2SO4(b)", @@ -11905,7 +11905,7 @@ species(name = "K2SO4(b)", -1.347529900E-03, 7.676657600E-07, -1.633744000E-10, -1.055421400E+05, 1.453009400E+03] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "K2SO4(L)", @@ -11918,7 +11918,7 @@ species(name = "K2SO4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.769551900E+05, -1.174022200E+02] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Li(cr)", @@ -11931,7 +11931,7 @@ species(name = "Li(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "TPIS82" + # note = "TPIS82" ) species(name = "Li(L)", @@ -11944,7 +11944,7 @@ species(name = "Li(L)", 4.455463280E-07, -3.653374540E-11, 3.892792200E-15, -8.220195560E+02, -1.781830770E+01] ) ) - note = "TPIS82" + # note = "TPIS82" ) species(name = "LiALO2(s)", @@ -11957,7 +11957,7 @@ species(name = "LiALO2(s)", -4.086396900E-06, 1.547146600E-09, -2.249503800E-13, -1.459815000E+05, -4.459061800E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "LiALO2(L)", @@ -11970,7 +11970,7 @@ species(name = "LiALO2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.416583900E+05, -8.099376700E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "LiCL(s)", @@ -11983,7 +11983,7 @@ species(name = "LiCL(s)", -1.154187400E-05, 1.058538600E-08, -3.645702200E-12, -5.060826600E+04, -1.829889400E+01] ) ) - note = "J 6/62" + # note = "J 6/62" ) species(name = "LiCL(L)", @@ -11996,7 +11996,7 @@ species(name = "LiCL(L)", -1.735033100E-06, 7.659500800E-10, -1.237847700E-13, -5.000732200E+04, -3.880896100E+01] ) ) - note = "J 6/62" + # note = "J 6/62" ) species(name = "LiF(s)", @@ -12009,7 +12009,7 @@ species(name = "LiF(s)", 1.782560600E-06, 8.899644400E-10, -9.129665400E-13, -7.590036500E+04, -2.744727600E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "LiF(L)", @@ -12022,7 +12022,7 @@ species(name = "LiF(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.430434700E+04, -3.881548700E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "LiH(s)", @@ -12035,7 +12035,7 @@ species(name = "LiH(s)", -8.690033600E-06, 5.631155500E-09, -1.269348300E-12, -1.148699100E+04, -3.065457500E+00] ) ) - note = "J 9/67" + # note = "J 9/67" ) species(name = "LiH(L)", @@ -12048,7 +12048,7 @@ species(name = "LiH(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.158182600E+04, -4.004727800E+01] ) ) - note = "J 9/67" + # note = "J 9/67" ) species(name = "LiOH(s)", @@ -12061,7 +12061,7 @@ species(name = "LiOH(s)", -2.789795000E-05, 8.692589300E-09, 4.149989400E-12, -5.941268000E+04, -4.838269700E+00] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "LiOH(L)", @@ -12074,7 +12074,7 @@ species(name = "LiOH(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.018567100E+04, -5.389714000E+01] ) ) - note = "J 6/71" + # note = "J 6/71" ) species(name = "Li2O(s)", @@ -12087,7 +12087,7 @@ species(name = "Li2O(s)", -5.222509000E-07, -1.786442600E-09, 5.396103500E-13, -7.339627800E+04, -2.176549700E+01] ) ) - note = "J 3/64" + # note = "J 3/64" ) species(name = "Li2O(L)", @@ -12100,7 +12100,7 @@ species(name = "Li2O(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.133792100E+04, -6.517497400E+01] ) ) - note = "J 3/64" + # note = "J 3/64" ) species(name = "Li2SO4(a)", @@ -12113,7 +12113,7 @@ species(name = "Li2SO4(a)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J12/78" + # note = "J12/78" ) species(name = "Li2SO4(b)", @@ -12126,7 +12126,7 @@ species(name = "Li2SO4(b)", 3.908107350E-07, 0.000000000E+00, 0.000000000E+00, -1.804224450E+05, -1.380080990E+02] ) ) - note = "J12/78" + # note = "J12/78" ) species(name = "Li2SO4(L)", @@ -12139,7 +12139,7 @@ species(name = "Li2SO4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.780977980E+05, -1.276261580E+02] ) ) - note = "J12/78" + # note = "J12/78" ) species(name = "Li3N(s)", @@ -12152,7 +12152,7 @@ species(name = "Li3N(s)", -1.942232200E-06, -2.496010900E-11, 0.000000000E+00, -2.201577600E+04, -2.745727500E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Mg(cr)", @@ -12165,7 +12165,7 @@ species(name = "Mg(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Mg(L)", @@ -12178,7 +12178,7 @@ species(name = "Mg(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.589343410E+02, -1.937868940E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "MgAL2O4(s)", @@ -12191,7 +12191,7 @@ species(name = "MgAL2O4(s)", -3.552259800E-06, 1.155053000E-09, -1.433453100E-13, -2.816641100E+05, -7.666868500E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "MgAL2O4(L)", @@ -12204,7 +12204,7 @@ species(name = "MgAL2O4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.688353600E+05, -1.419858100E+02] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "MgBr2(s)", @@ -12217,7 +12217,7 @@ species(name = "MgBr2(s)", -3.725393900E-05, 3.193756400E-08, -9.950701600E-12, -6.525261600E+04, -2.028891000E+01] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "MgBr2(L)", @@ -12230,7 +12230,7 @@ species(name = "MgBr2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.396298200E+04, -5.625546000E+01] ) ) - note = "J 6/74" + # note = "J 6/74" ) species(name = "MgCO3(s)", @@ -12243,7 +12243,7 @@ species(name = "MgCO3(s)", -4.449295200E-05, 3.181590600E-08, -9.754530000E-12, -1.354168500E+05, -9.061873200E+00] ) ) - note = "J12/66" + # note = "J12/66" ) species(name = "MgCL2(s)", @@ -12256,7 +12256,7 @@ species(name = "MgCL2(s)", -2.595690700E-05, 1.911157300E-08, -5.105901400E-12, -7.934389400E+04, -2.426108400E+01] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "MgCL2(L)", @@ -12269,7 +12269,7 @@ species(name = "MgCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.629461800E+04, -4.897258800E+01] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "MgF2(s)", @@ -12282,7 +12282,7 @@ species(name = "MgF2(s)", -3.974989300E-05, 2.046185900E-08, -3.953441000E-12, -1.353930800E+05, 1.104455500E+01] ) ) - note = "J 6/75" + # note = "J 6/75" ) species(name = "MgF2(L)", @@ -12295,7 +12295,7 @@ species(name = "MgF2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.340841000E+05, -5.742506900E+01] ) ) - note = "J 6/75" + # note = "J 6/75" ) species(name = "MgI2(s)", @@ -12308,7 +12308,7 @@ species(name = "MgI2(s)", -1.683630800E-05, 1.314380900E-08, -4.009995700E-12, -4.652776100E+04, -2.543204300E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "MgI2(L)", @@ -12321,7 +12321,7 @@ species(name = "MgI2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.552566000E+04, -5.188352600E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "MgO(s)", @@ -12334,7 +12334,7 @@ species(name = "MgO(s)", -7.561769500E-07, 2.028689300E-10, -2.059127100E-14, -7.402928500E+04, -2.632889200E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "MgO(L)", @@ -12347,7 +12347,7 @@ species(name = "MgO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.987945100E+04, -4.434382500E+01] ) ) - note = "J12/74" + # note = "J12/74" ) species(name = "MgO2H2(s)", @@ -12360,7 +12360,7 @@ species(name = "MgO2H2(s)", -1.372076700E-04, 1.142685900E-07, -3.592583700E-11, -1.123843400E+05, 1.359263700E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "MgS(s)", @@ -12373,7 +12373,7 @@ species(name = "MgS(s)", -6.290500000E-07, 1.981985800E-10, -2.259164800E-14, -4.323854800E+04, -2.483783100E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "MgSO4(s)", @@ -12386,7 +12386,7 @@ species(name = "MgSO4(s)", -3.249188400E-04, 1.825723400E-07, -3.869076700E-11, -1.406610700E+05, 3.218838900E+02] ) ) - note = "L 7/76" + # note = "L 7/76" ) species(name = "MgSO4(L)", @@ -12399,7 +12399,7 @@ species(name = "MgSO4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.609287600E+05, -1.018046500E+02] ) ) - note = "L 7/76" + # note = "L 7/76" ) species(name = "MgSiO3(I)", @@ -12412,7 +12412,7 @@ species(name = "MgSiO3(I)", -6.597375300E-05, 4.741425700E-08, -1.233109800E-11, -1.881722600E+05, -1.017893600E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "MgSiO3(II)", @@ -12425,7 +12425,7 @@ species(name = "MgSiO3(II)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.916217200E+05, -7.665946400E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "MgSiO3(III)", @@ -12438,7 +12438,7 @@ species(name = "MgSiO3(III)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.917419900E+05, -7.829929800E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "MgSiO3(L)", @@ -12451,7 +12451,7 @@ species(name = "MgSiO3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.880257900E+05, -9.512573100E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "MgTiO3(s)", @@ -12464,7 +12464,7 @@ species(name = "MgTiO3(s)", -7.401217900E-06, 2.792882400E-09, -3.953244800E-13, -1.928116800E+05, -5.295808800E+01] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "MgTiO3(L)", @@ -12477,7 +12477,7 @@ species(name = "MgTiO3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.909181200E+05, -1.065620400E+02] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "MgTi2O5(s)", @@ -12490,7 +12490,7 @@ species(name = "MgTi2O5(s)", -6.301316000E-06, 2.401948800E-09, -3.541293000E-13, -3.075465500E+05, -8.329339000E+01] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "MgTi2O5(L)", @@ -12503,7 +12503,7 @@ species(name = "MgTi2O5(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.041000100E+05, -1.685864900E+02] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "Mg2SiO4(s)", @@ -12516,7 +12516,7 @@ species(name = "Mg2SiO4(s)", -1.620395100E-06, 7.736811200E-12, 6.333757300E-14, -2.672995500E+05, -8.145799200E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "Mg2SiO4(L)", @@ -12529,7 +12529,7 @@ species(name = "Mg2SiO4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.669254900E+05, -1.346151000E+02] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "Mg2TiO4(s)", @@ -12542,7 +12542,7 @@ species(name = "Mg2TiO4(s)", -4.990756000E-06, 1.740794400E-09, -2.539819500E-13, -2.653907800E+05, -7.393371000E+01] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "Mg2TiO4(L)", @@ -12555,7 +12555,7 @@ species(name = "Mg2TiO4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.615355900E+05, -1.474583700E+02] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "Mo(cr)", @@ -12568,7 +12568,7 @@ species(name = "Mo(cr)", 6.014825260E-06, -2.329623380E-09, 3.520078080E-13, -1.626572200E+03, -2.624888910E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Mo(L)", @@ -12581,7 +12581,7 @@ species(name = "Mo(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 2.021406670E+03, -2.280747520E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "NH4CL(a)", @@ -12594,7 +12594,7 @@ species(name = "NH4CL(a)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.008275100E+04, -2.095913300E+01] ) ) - note = "BAR 73" + # note = "BAR 73" ) species(name = "NH4CL(b)", @@ -12607,7 +12607,7 @@ species(name = "NH4CL(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.876269300E+04, -1.413440200E+01] ) ) - note = "BAR 73" + # note = "BAR 73" ) species(name = "Na(cr)", @@ -12620,7 +12620,7 @@ species(name = "Na(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "Na(L)", @@ -12633,7 +12633,7 @@ species(name = "Na(L)", 1.324537940E-06, -4.123753170E-11, 6.401670810E-15, -9.985355340E+02, -1.862571270E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "NaALO2(a)", @@ -12646,7 +12646,7 @@ species(name = "NaALO2(a)", -1.188441500E-04, 1.197004200E-07, -4.622479300E-11, -1.378166500E+05, -5.333528200E-02] ) ) - note = "J 3/63" + # note = "J 3/63" ) species(name = "NaALO2(b)", @@ -12659,7 +12659,7 @@ species(name = "NaALO2(b)", 3.771374100E-06, -1.293267000E-09, 1.413502200E-13, -1.400481800E+05, -6.000645500E+01] ) ) - note = "J 3/63" + # note = "J 3/63" ) species(name = "NaBr(s)", @@ -12672,7 +12672,7 @@ species(name = "NaBr(s)", 4.099027600E-07, 2.068365100E-10, -1.807648500E-14, -4.556037200E+04, -2.760580000E+01] ) ) - note = "J 9/64" + # note = "J 9/64" ) species(name = "NaBr(L)", @@ -12685,7 +12685,7 @@ species(name = "NaBr(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.304977000E+04, -3.017045100E+01] ) ) - note = "J 9/64" + # note = "J 9/64" ) species(name = "NaCN(s)", @@ -12698,7 +12698,7 @@ species(name = "NaCN(s)", -5.342159100E-06, 6.809164200E-09, -3.141491100E-12, -1.334029400E+04, -3.170393300E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "NaCN(L)", @@ -12711,7 +12711,7 @@ species(name = "NaCN(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.338640700E+04, -4.028730900E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "NaCL(s)", @@ -12724,7 +12724,7 @@ species(name = "NaCL(s)", 5.048638300E-06, 2.602054900E-09, -3.648709600E-12, -4.926320300E+04, -2.602566000E+00] ) ) - note = "J 9/64" + # note = "J 9/64" ) species(name = "NaCL(L)", @@ -12737,7 +12737,7 @@ species(name = "NaCL(L)", 3.200472300E-06, -6.771736200E-10, 5.101561200E-14, -5.142326500E+04, -6.058553000E+01] ) ) - note = "J 9/64" + # note = "J 9/64" ) species(name = "NaF(s)", @@ -12750,7 +12750,7 @@ species(name = "NaF(s)", -5.484398600E-06, 8.684302200E-09, -2.928586000E-12, -7.181040500E+04, -3.881571000E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "NaF(L)", @@ -12763,7 +12763,7 @@ species(name = "NaF(L)", 1.161166200E-06, -1.629929700E-10, 5.245614100E-15, -7.067394300E+04, -5.637569500E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "NaI(s)", @@ -12776,7 +12776,7 @@ species(name = "NaI(s)", -3.996563000E-06, 3.184107300E-09, -9.530872200E-13, -3.639035600E+04, -2.039925100E+01] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "NaI(L)", @@ -12789,7 +12789,7 @@ species(name = "NaI(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.475956800E+04, -3.081888100E+01] ) ) - note = "J 9/63" + # note = "J 9/63" ) species(name = "NaOH(a)", @@ -12802,7 +12802,7 @@ species(name = "NaOH(a)", -4.553339400E-05, 1.841848300E-07, -1.501897300E-10, -5.351185100E+04, -3.940758500E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "NaOH(L)", @@ -12815,7 +12815,7 @@ species(name = "NaOH(L)", -2.397793400E-06, 7.839847700E-10, -8.197647200E-14, -5.290682400E+04, -4.529990000E+01] ) ) - note = "J12/70" + # note = "J12/70" ) species(name = "NaO2(s)", @@ -12828,7 +12828,7 @@ species(name = "NaO2(s)", -1.543777300E-06, 6.835777400E-10, -1.107392200E-13, -3.357254600E+04, -2.584860800E+01] ) ) - note = "J 6/63" + # note = "J 6/63" ) species(name = "Na2CO3(I)", @@ -12841,7 +12841,7 @@ species(name = "Na2CO3(I)", -9.826245500E-05, 1.654308400E-07, -8.329451500E-11, -1.391701000E+05, -3.046329300E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "Na2CO3(II)", @@ -12854,7 +12854,7 @@ species(name = "Na2CO3(II)", 1.996329400E-06, 0.000000000E+00, 0.000000000E+00, -1.376126600E+05, -3.137258000E+01] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "Na2CO3(L)", @@ -12867,7 +12867,7 @@ species(name = "Na2CO3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.422921800E+05, -1.162212100E+02] ) ) - note = "J 3/66" + # note = "J 3/66" ) species(name = "Na2O(c)", @@ -12880,7 +12880,7 @@ species(name = "Na2O(c)", -4.739065800E-06, 3.183638700E-08, -1.457026500E-11, -5.804823600E+04, -1.251806500E+02] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "Na2O(a)", @@ -12893,7 +12893,7 @@ species(name = "Na2O(a)", 3.839126800E-05, -1.709991900E-07, 6.139592600E-11, 1.161479500E+04, 8.468926800E+02] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "Na2O(L)", @@ -12906,7 +12906,7 @@ species(name = "Na2O(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.859485700E+04, -6.066154900E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "Na2O2(a)", @@ -12919,7 +12919,7 @@ species(name = "Na2O2(a)", -5.115420100E-05, 4.266397900E-08, -1.399163700E-11, -6.416105300E+04, -2.245545300E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "Na2O2(b)", @@ -12932,7 +12932,7 @@ species(name = "Na2O2(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.563257100E+04, -6.684155100E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "Na2S(1)", @@ -12945,7 +12945,7 @@ species(name = "Na2S(1)", 8.117009300E-04, -1.887787800E-07, 0.000000000E+00, -1.774839400E+05, -2.346265900E+03] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Na2S(2)", @@ -12958,7 +12958,7 @@ species(name = "Na2S(2)", -1.862267900E+00, 9.162058800E-04, -1.688487900E-07, 1.533280500E+08, 2.910868700E+06] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Na2S(L)", @@ -12971,7 +12971,7 @@ species(name = "Na2S(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.279093000E+04, -4.861588900E+01] ) ) - note = "J 3/78" + # note = "J 3/78" ) species(name = "Na2SO4(V)", @@ -12984,7 +12984,7 @@ species(name = "Na2SO4(V)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Na2SO4(IV)", @@ -12997,7 +12997,7 @@ species(name = "Na2SO4(IV)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Na2SO4(I)", @@ -13010,7 +13010,7 @@ species(name = "Na2SO4(I)", -2.333055470E-07, 0.000000000E+00, 0.000000000E+00, -1.711291010E+05, -7.469907480E+01] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Na2SO4(L)", @@ -13023,7 +13023,7 @@ species(name = "Na2SO4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.716589120E+05, -1.163584820E+02] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Na3ALF6(a)", @@ -13036,7 +13036,7 @@ species(name = "Na3ALF6(a)", -3.616184400E-04, 4.047908000E-07, -1.650555200E-10, -4.040599300E+05, -1.779854500E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "Na3ALF6(b)", @@ -13049,7 +13049,7 @@ species(name = "Na3ALF6(b)", -1.462099400E-05, 4.402066900E-09, 0.000000000E+00, -3.990755200E+05, -2.821617700E+01] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "Na3ALF6(L)", @@ -13062,7 +13062,7 @@ species(name = "Na3ALF6(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.129653800E+05, -2.537588000E+02] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "Na5AL3F14(s)", @@ -13075,7 +13075,7 @@ species(name = "Na5AL3F14(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.319436500E+05, -2.949194800E+02] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "Na5AL3F14(L)", @@ -13088,7 +13088,7 @@ species(name = "Na5AL3F14(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.561288400E+05, -6.470530900E+02] ) ) - note = "J12/79" + # note = "J12/79" ) species(name = "Nb(cr)", @@ -13101,7 +13101,7 @@ species(name = "Nb(cr)", 3.123969900E-06, -1.279097490E-09, 2.092294060E-13, -1.286821020E+03, -1.919761790E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Nb(L)", @@ -13114,7 +13114,7 @@ species(name = "Nb(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.427040470E+03, -1.857905520E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO(s)", @@ -13127,7 +13127,7 @@ species(name = "NbO(s)", 3.093084500E-07, -1.643370200E-10, 2.856983500E-14, -5.211091000E+04, -2.409952000E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO(L)", @@ -13140,7 +13140,7 @@ species(name = "NbO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.458713800E+04, -3.581734000E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO2(I)", @@ -13153,7 +13153,7 @@ species(name = "NbO2(I)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.729724610E+04, -2.489085970E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO2(II)", @@ -13166,7 +13166,7 @@ species(name = "NbO2(II)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.002059980E+05, -5.998194410E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO2(III)", @@ -13179,7 +13179,7 @@ species(name = "NbO2(III)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.878692740E+04, -5.159750880E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "NbO2(L)", @@ -13192,7 +13192,7 @@ species(name = "NbO2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.061657580E+04, -5.675534620E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Nb2O5(s)", @@ -13205,7 +13205,7 @@ species(name = "Nb2O5(s)", 4.729464400E-07, -1.837607100E-09, 5.062192200E-13, -2.342302700E+05, -8.322479900E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "Nb2O5(L)", @@ -13218,7 +13218,7 @@ species(name = "Nb2O5(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.373602500E+05, -1.593339600E+02] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "Ni(cr)", @@ -13231,7 +13231,7 @@ species(name = "Ni(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "Ni(L)", @@ -13244,7 +13244,7 @@ species(name = "Ni(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.222383460E+02, -2.335177970E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "NiS(b)", @@ -13257,7 +13257,7 @@ species(name = "NiS(b)", -4.475171300E-05, 5.355273600E-08, -2.473915100E-11, -1.189727500E+04, -1.229880500E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "NiS(a)", @@ -13270,7 +13270,7 @@ species(name = "NiS(a)", -1.523906800E-05, 4.524203900E-09, 0.000000000E+00, -9.253973100E+03, 1.601897600E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "NiS(L)", @@ -13283,7 +13283,7 @@ species(name = "NiS(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.105365200E+04, -4.576973600E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "NiS2(s)", @@ -13296,7 +13296,7 @@ species(name = "NiS2(s)", -5.820109900E-06, 1.705008100E-09, 0.000000000E+00, -1.752872500E+04, -2.339221900E+01] ) ) - note = "J 3/77" + # note = "J 3/77" ) species(name = "NiS2(L)", @@ -13309,7 +13309,7 @@ species(name = "NiS2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.234492500E+04, -4.972062400E+01] ) ) - note = "J 3/77" + # note = "J 3/77" ) species(name = "Ni3S2(I)", @@ -13322,7 +13322,7 @@ species(name = "Ni3S2(I)", -7.307395700E-05, 7.100707600E-08, -2.622185900E-11, -2.936219600E+04, -3.273505200E+01] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "Ni3S2(II)", @@ -13335,7 +13335,7 @@ species(name = "Ni3S2(II)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.931347900E+04, -1.116897800E+02] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "Ni3S2(L)", @@ -13348,7 +13348,7 @@ species(name = "Ni3S2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.734440200E+04, -1.121181100E+02] ) ) - note = "J12/76" + # note = "J12/76" ) species(name = "Ni3S4(s)", @@ -13361,7 +13361,7 @@ species(name = "Ni3S4(s)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.136000100E+04, -6.632916200E+01] ) ) - note = "J 3/77" + # note = "J 3/77" ) species(name = "P(cr)", @@ -13374,7 +13374,7 @@ species(name = "P(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "P(L)", @@ -13387,7 +13387,7 @@ species(name = "P(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.621485640E+02, -1.272274720E+01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "P4O10(s)", @@ -13400,7 +13400,7 @@ species(name = "P4O10(s)", -1.768634400E-04, 6.764285200E-08, -9.910871000E-12, -3.534613930E+05, 2.260547200E+02] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "Pb(cr)", @@ -13413,7 +13413,7 @@ species(name = "Pb(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "Pb(L)", @@ -13426,7 +13426,7 @@ species(name = "Pb(L)", 3.553398090E-07, -1.758083490E-11, -3.238844190E-15, -7.560657690E+02, -1.510995450E+01] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "PbBr2(s)", @@ -13439,7 +13439,7 @@ species(name = "PbBr2(s)", 1.018760200E-05, 1.305287600E-08, -1.637309400E-11, -3.630480100E+04, -3.919903200E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbBr2(L)", @@ -13452,7 +13452,7 @@ species(name = "PbBr2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.657220100E+04, -5.704908700E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbCL2(s)", @@ -13465,7 +13465,7 @@ species(name = "PbCL2(s)", 1.560258000E-06, -2.228461000E-09, 1.111544000E-12, -4.584121800E+04, -3.178124200E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "PbCL2(L)", @@ -13478,7 +13478,7 @@ species(name = "PbCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.616707700E+04, -5.993265400E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "PbF2(a)", @@ -13491,7 +13491,7 @@ species(name = "PbF2(a)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbF2(b)", @@ -13504,7 +13504,7 @@ species(name = "PbF2(b)", 8.906992730E-04, 0.000000000E+00, 0.000000000E+00, -4.269620080E+05, -5.406788970E+03] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbF2(L)", @@ -13517,7 +13517,7 @@ species(name = "PbF2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.475521520E+04, -6.207132780E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbI2(s)", @@ -13530,7 +13530,7 @@ species(name = "PbI2(s)", -1.388868600E-05, 1.322139300E-08, 1.616406800E-12, -2.377904900E+04, -2.833790000E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbI2(L)", @@ -13543,7 +13543,7 @@ species(name = "PbI2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.344093200E+04, -5.204480700E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "PbO(rd)", @@ -13556,7 +13556,7 @@ species(name = "PbO(rd)", -3.661309600E-06, -1.228108700E-08, 1.006643500E-11, -2.767017400E+04, -1.130451300E+01] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "PbO(yw)", @@ -13569,7 +13569,7 @@ species(name = "PbO(yw)", -2.042822800E-07, 0.000000000E+00, 0.000000000E+00, -2.785466100E+04, -2.150594400E+01] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "PbO(L)", @@ -13582,7 +13582,7 @@ species(name = "PbO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.665653300E+04, -3.571693400E+01] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "PbO2(s)", @@ -13595,7 +13595,7 @@ species(name = "PbO2(s)", -2.020634900E-06, 0.000000000E+00, 0.000000000E+00, -3.531875000E+04, -3.200137200E+01] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "PbS(s)", @@ -13608,7 +13608,7 @@ species(name = "PbS(s)", -3.804287900E-07, -5.481463800E-10, 2.657381900E-13, -1.329845200E+04, -1.729960600E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "PbS(L)", @@ -13621,7 +13621,7 @@ species(name = "PbS(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.356606000E+04, -3.575779600E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "Pb3O4(s)", @@ -13634,7 +13634,7 @@ species(name = "Pb3O4(s)", -8.343921700E-10, 2.076089900E-13, -1.777088000E-17, -9.287678700E+04, -9.028840700E+01] ) ) - note = "J12/71" + # note = "J12/71" ) species(name = "S(cr1)", @@ -13647,7 +13647,7 @@ species(name = "S(cr1)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "S(cr2)", @@ -13660,7 +13660,7 @@ species(name = "S(cr2)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "S(L)", @@ -13673,7 +13673,7 @@ species(name = "S(L)", -1.555699620E-07, 2.727836890E-11, -1.728125540E-15, -5.908730350E+02, -1.521672700E+01] ) ) - note = "TPIS89" + # note = "TPIS89" ) species(name = "SCL2(L)", @@ -13686,7 +13686,7 @@ species(name = "SCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.251754300E+03, -4.026979500E+01] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "S2CL2(L)", @@ -13699,7 +13699,7 @@ species(name = "S2CL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.145191500E+04, -5.825022500E+01] ) ) - note = "J 6/78" + # note = "J 6/78" ) species(name = "Si(cr)", @@ -13712,7 +13712,7 @@ species(name = "Si(cr)", -2.782364020E-06, 1.264580650E-09, -2.171284640E-13, -6.286573630E+02, -8.553411770E+00] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "Si(L)", @@ -13725,7 +13725,7 @@ species(name = "Si(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 4.882867950E+03, -1.326654770E+01] ) ) - note = "TPIS91" + # note = "TPIS91" ) species(name = "SiC(b)", @@ -13738,7 +13738,7 @@ species(name = "SiC(b)", -1.450233400E-06, 3.154974400E-10, -2.615899100E-14, -1.029193700E+04, -2.106779100E+01] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "SiO2(Lqz)", @@ -13751,7 +13751,7 @@ species(name = "SiO2(Lqz)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "SiO2(hqz)", @@ -13764,7 +13764,7 @@ species(name = "SiO2(hqz)", 4.895022940E-07, -2.357545910E-10, 4.208391310E-14, -1.118238340E+05, -3.696427960E+01] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "SiO2(L)", @@ -13777,7 +13777,7 @@ species(name = "SiO2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.146005630E+05, -5.762666030E+01] ) ) - note = "J 6/67" + # note = "J 6/67" ) species(name = "Si2N2O(s)", @@ -13790,7 +13790,7 @@ species(name = "Si2N2O(s)", 3.652923500E-07, -4.257882900E-10, 8.627593000E-14, -1.182149400E+05, -6.425009200E+01] ) ) - note = "L 1/84" + # note = "L 1/84" ) species(name = "Si3N4(a)", @@ -13803,7 +13803,7 @@ species(name = "Si3N4(a)", -1.502057800E-05, 3.587228800E-09, -3.177696900E-13, -9.101724100E+04, -8.926881900E+00] ) ) - note = "J 3/67" + # note = "J 3/67" ) species(name = "Sr(a)", @@ -13816,7 +13816,7 @@ species(name = "Sr(a)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Sr(b)", @@ -13829,7 +13829,7 @@ species(name = "Sr(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -8.560806290E+02, -1.157234660E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "Sr(L)", @@ -13842,7 +13842,7 @@ species(name = "Sr(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -9.431755400E+02, -1.889699620E+01] ) ) - note = "SRD 93" + # note = "SRD 93" ) species(name = "SrCL2(a)", @@ -13855,7 +13855,7 @@ species(name = "SrCL2(a)", -1.390794000E-05, 5.898227600E-09, 3.013332600E-12, -1.021271900E+05, -2.837088200E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrCL2(b)", @@ -13868,7 +13868,7 @@ species(name = "SrCL2(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.064275000E+05, -7.537622800E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrCL2(L)", @@ -13881,7 +13881,7 @@ species(name = "SrCL2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.019367700E+05, -5.807635300E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrF2(s)", @@ -13894,7 +13894,7 @@ species(name = "SrF2(s)", 6.519689900E-05, 4.354839500E-08, -2.367347400E-11, -1.745612200E+05, -4.693452300E+02] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrF2(L)", @@ -13907,7 +13907,7 @@ species(name = "SrF2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.464280800E+05, -5.802284200E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrO(s)", @@ -13920,7 +13920,7 @@ species(name = "SrO(s)", -2.764041200E-07, 6.730833100E-11, -6.562635300E-15, -7.303734400E+04, -2.609836000E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrO(L)", @@ -13933,7 +13933,7 @@ species(name = "SrO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.673476900E+04, -3.909294400E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "SrO2H2(s)", @@ -13946,7 +13946,7 @@ species(name = "SrO2H2(s)", -1.302974500E-06, 1.397181900E-09, -5.394894200E-13, -1.185005600E+05, -1.696281300E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "SrO2H2(L)", @@ -13959,7 +13959,7 @@ species(name = "SrO2H2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.226117400E+05, -9.966050100E+01] ) ) - note = "J12/75" + # note = "J12/75" ) species(name = "SrS(s)", @@ -13972,7 +13972,7 @@ species(name = "SrS(s)", -3.079439200E-07, 9.719854500E-11, -1.112968500E-14, -5.825472900E+04, -2.609996100E+01] ) ) - note = "J 9/77" + # note = "J 9/77" ) species(name = "Ta(cr)", @@ -13985,7 +13985,7 @@ species(name = "Ta(cr)", -3.591447210E-08, -7.207614610E-11, 3.133020080E-14, -8.712558260E+02, -1.164402800E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "Ta(L)", @@ -13998,7 +13998,7 @@ species(name = "Ta(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.442237580E+02, -2.597365770E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "TaC(s)", @@ -14011,7 +14011,7 @@ species(name = "TaC(s)", -1.749593900E-07, 3.524558100E-11, -2.642926000E-15, -1.902055300E+04, -2.412969100E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "TaC(L)", @@ -14024,7 +14024,7 @@ species(name = "TaC(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.010333800E+04, -4.208554500E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ta2O5(s)", @@ -14037,7 +14037,7 @@ species(name = "Ta2O5(s)", 9.115658400E-07, -1.150828700E-09, 2.470206000E-13, -2.524591100E+05, -9.073349100E+01] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "Ta2O5(L)", @@ -14050,7 +14050,7 @@ species(name = "Ta2O5(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.533624500E+05, -1.585777400E+02] ) ) - note = "J12/72" + # note = "J12/72" ) species(name = "Ti(a)", @@ -14063,7 +14063,7 @@ species(name = "Ti(a)", 3.084873500E-05, 0.000000000E+00, 0.000000000E+00, -9.275570250E+03, -1.567307930E+02] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "Ti(b)", @@ -14076,7 +14076,7 @@ species(name = "Ti(b)", 6.584287760E-06, -2.605234840E-09, 4.069302180E-13, -1.866957240E+02, -1.979530400E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "Ti(L)", @@ -14089,7 +14089,7 @@ species(name = "Ti(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.375095980E+03, -3.078726910E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "TiC(s)", @@ -14102,7 +14102,7 @@ species(name = "TiC(s)", 7.120995300E-07, -1.351709000E-10, 9.980366000E-15, -2.417344500E+04, -3.153022200E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "TiC(L)", @@ -14115,7 +14115,7 @@ species(name = "TiC(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.766020400E+04, -4.062966100E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "TiCL2(s)", @@ -14128,7 +14128,7 @@ species(name = "TiCL2(s)", -2.864811900E-07, 1.318780600E-10, -2.227082600E-14, -6.450844200E+04, -3.571308900E+01] ) ) - note = "J12/68" + # note = "J12/68" ) species(name = "TiCL3(s)", @@ -14141,7 +14141,7 @@ species(name = "TiCL3(s)", -3.068972400E-08, 1.233900700E-13, -1.056129800E-17, -9.031696000E+04, -4.899307800E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "TiCL4(L)", @@ -14154,7 +14154,7 @@ species(name = "TiCL4(L)", -1.069031100E-09, 2.661675700E-13, -2.279448000E-17, -1.018802700E+05, -6.764014200E+01] ) ) - note = "J12/67" + # note = "J12/67" ) species(name = "TiN(s)", @@ -14167,7 +14167,7 @@ species(name = "TiN(s)", 3.952180300E-07, -8.871800200E-11, 7.784451300E-15, -4.244343000E+04, -2.877329300E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "TiN(L)", @@ -14180,7 +14180,7 @@ species(name = "TiN(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.626170900E+04, -3.958390600E+01] ) ) - note = "J 6/68" + # note = "J 6/68" ) species(name = "TiO(a)", @@ -14193,7 +14193,7 @@ species(name = "TiO(a)", -4.955282800E-06, 1.412884200E-09, 0.000000000E+00, -6.628836100E+04, -1.291870300E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "TiO(b)", @@ -14206,7 +14206,7 @@ species(name = "TiO(b)", -7.458557100E-06, 3.083581500E-09, -4.756174700E-13, -6.548277300E+04, -7.934917500E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "TiO(L)", @@ -14219,7 +14219,7 @@ species(name = "TiO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -6.327213800E+04, -4.131210900E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "TiO2(ru)", @@ -14232,7 +14232,7 @@ species(name = "TiO2(ru)", -3.008898400E-06, 1.060251900E-09, -1.437959700E-13, -1.159924600E+05, -3.451410600E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "TiO2(L)", @@ -14245,7 +14245,7 @@ species(name = "TiO2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.149423000E+05, -6.591075900E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ti2O3(a)", @@ -14258,7 +14258,7 @@ species(name = "Ti2O3(a)", 9.002647000E-05, 0.000000000E+00, 0.000000000E+00, -1.864169300E+05, -6.691489900E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "Ti2O3(b)", @@ -14271,7 +14271,7 @@ species(name = "Ti2O3(b)", -2.364636300E-06, 5.996039200E-10, -5.341426000E-14, -1.879734200E+05, -7.786316500E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "Ti2O3(L)", @@ -14284,7 +14284,7 @@ species(name = "Ti2O3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.785869800E+05, -9.656725700E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "Ti3O5(a)", @@ -14297,7 +14297,7 @@ species(name = "Ti3O5(a)", -1.047238100E-04, 0.000000000E+00, 0.000000000E+00, -2.984561700E+05, 9.824101600E+00] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ti3O5(b)", @@ -14310,7 +14310,7 @@ species(name = "Ti3O5(b)", -1.990705600E-06, 8.781239700E-10, -1.424527500E-13, -2.999868400E+05, -8.813547900E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ti3O5(L)", @@ -14323,7 +14323,7 @@ species(name = "Ti3O5(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -2.936854100E+05, -1.691270300E+02] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ti4O7(s)", @@ -14336,7 +14336,7 @@ species(name = "Ti4O7(s)", -1.711916300E-05, 6.484920600E-09, -9.488381100E-13, -4.181071600E+05, -1.210465000E+02] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "Ti4O7(L)", @@ -14349,7 +14349,7 @@ species(name = "Ti4O7(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.108967300E+05, -2.351604300E+02] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "V(cr)", @@ -14362,7 +14362,7 @@ species(name = "V(cr)", 5.383252110E-06, -2.420440160E-09, 4.239811920E-13, -1.284201950E+03, -2.124016250E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "V(L)", @@ -14375,7 +14375,7 @@ species(name = "V(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.899581630E+03, -3.070343080E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "VCL2(s)", @@ -14388,7 +14388,7 @@ species(name = "VCL2(s)", -5.253100000E-06, 1.506736900E-09, 0.000000000E+00, -5.635805600E+04, -2.572653800E+01] ) ) - note = "L 2/76" + # note = "L 2/76" ) species(name = "VCL3(s)", @@ -14401,7 +14401,7 @@ species(name = "VCL3(s)", -4.074527200E-05, 3.492848300E-08, -1.124490000E-11, -7.267816900E+04, -2.949371200E+01] ) ) - note = "L 2/76" + # note = "L 2/76" ) species(name = "VCL4(L)", @@ -14414,7 +14414,7 @@ species(name = "VCL4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.369584500E+04, -6.879479200E+01] ) ) - note = "L 2/76" + # note = "L 2/76" ) species(name = "VN(s)", @@ -14427,7 +14427,7 @@ species(name = "VN(s)", -3.161046300E-07, 4.605066000E-11, -1.910203700E-15, -2.773815200E+04, -2.387335300E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "VO(s)", @@ -14440,7 +14440,7 @@ species(name = "VO(s)", 3.847761700E-07, -2.618247100E-10, 5.100939500E-14, -5.365137900E+04, -2.638236400E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "VO(L)", @@ -14453,7 +14453,7 @@ species(name = "VO(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.760047400E+04, -3.615421300E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "V2O3(s)", @@ -14466,7 +14466,7 @@ species(name = "V2O3(s)", 1.137120600E-06, -2.080600700E-10, 1.002832500E-14, -1.510057500E+05, -6.878289400E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "V2O3(L)", @@ -14479,7 +14479,7 @@ species(name = "V2O3(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.403406300E+05, -9.458092000E+01] ) ) - note = "J12/73" + # note = "J12/73" ) species(name = "V2O4(I)", @@ -14492,7 +14492,7 @@ species(name = "V2O4(I)", 5.783710100E-05, 4.305391900E-08, -2.848269400E-10, -1.746086400E+05, -3.215735800E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "V2O4(II)", @@ -14505,7 +14505,7 @@ species(name = "V2O4(II)", 9.890478600E-07, -7.503249600E-10, 1.613546100E-13, -1.760738900E+05, -8.083199700E+01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "V2O4(L)", @@ -14518,7 +14518,7 @@ species(name = "V2O4(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.746300900E+05, -1.365594000E+02] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "V2O5(s)", @@ -14531,7 +14531,7 @@ species(name = "V2O5(s)", -1.567509700E-04, 1.222352400E-07, -3.573884500E-11, -1.891453100E+05, 4.072275300E-01] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "V2O5(L)", @@ -14544,7 +14544,7 @@ species(name = "V2O5(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.875144700E+05, -1.108927700E+02] ) ) - note = "J 6/73" + # note = "J 6/73" ) species(name = "Zn(cr)", @@ -14557,7 +14557,7 @@ species(name = "Zn(cr)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "Zn(L)", @@ -14570,7 +14570,7 @@ species(name = "Zn(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -4.316952980E+02, -1.567084370E+01] ) ) - note = "CODA89" + # note = "CODA89" ) species(name = "ZnSO4(a)", @@ -14583,7 +14583,7 @@ species(name = "ZnSO4(a)", -3.070074400E-06, -4.845016400E-09, 0.000000000E+00, -1.204535900E+05, -2.310536900E+01] ) ) - note = "J 3/79" + # note = "J 3/79" ) species(name = "ZnSO4(b)", @@ -14596,7 +14596,7 @@ species(name = "ZnSO4(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.211380600E+05, -8.514325300E+01] ) ) - note = "J 3/79" + # note = "J 3/79" ) species(name = "Zr(a)", @@ -14609,7 +14609,7 @@ species(name = "Zr(a)", -1.046576160E-08, 0.000000000E+00, 0.000000000E+00, -6.618031470E+02, -8.573771980E+00] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "Zr(b)", @@ -14622,7 +14622,7 @@ species(name = "Zr(b)", 1.029951290E-06, -1.557675570E-10, 2.302846110E-14, -6.911722610E+02, -1.785934030E+01] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "Zr(L)", @@ -14635,7 +14635,7 @@ species(name = "Zr(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.100846260E+03, -2.547975870E+01] ) ) - note = "J 6/79" + # note = "J 6/79" ) species(name = "ZrN(s)", @@ -14648,7 +14648,7 @@ species(name = "ZrN(s)", 2.954211000E-07, -1.178431100E-10, 1.524143000E-14, -4.575132400E+04, -2.742065400E+01] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "ZrN(L)", @@ -14661,7 +14661,7 @@ species(name = "ZrN(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -3.810552700E+04, -3.443626400E+01] ) ) - note = "J 6/61" + # note = "J 6/61" ) species(name = "ZrO2(a)", @@ -14674,7 +14674,7 @@ species(name = "ZrO2(a)", -1.200668800E-04, 6.468673600E-08, -1.300488100E-11, -1.273279700E+05, 1.110089100E+02] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "ZrO2(b)", @@ -14687,7 +14687,7 @@ species(name = "ZrO2(b)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.341435400E+05, -4.527401700E+01] ) ) - note = "J12/65" + # note = "J12/65" ) species(name = "ZrO2(L)", @@ -14700,6 +14700,6 @@ species(name = "ZrO2(L)", 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -1.284274500E+05, -5.459226400E+01] ) ) - note = "J12/65" + # note = "J12/65" ) diff --git a/tools/src/Makefile.in b/tools/src/Makefile.in index 6692cf790..eb9196c1e 100755 --- a/tools/src/Makefile.in +++ b/tools/src/Makefile.in @@ -11,6 +11,8 @@ LOCAL_LIBS = -lcantera @math_libs@ @LAPACK_LIBRARY@ @BLAS_LIBRARY@ -lctcxx LCXX_END_LIBS = @LCXX_END_LIBS@ #OBJS = ck2cti.o +OBJS = ck2cti.o cti2ctml.o + DEPENDS = $(OBJS:.o=.d) CONVLIB_DEP = @buildlib@/libconverters.a