diff --git a/data/inputs/diamond.cti b/data/inputs/diamond.cti
index e7d3f95b9..47166db61 100644
--- a/data/inputs/diamond.cti
+++ b/data/inputs/diamond.cti
@@ -1,96 +1,107 @@
-# simplified version of Harris and Goodwin diamond (100) growth
-# mechanism, J. Phys. Chem., 1993.
+
+# Trough mechanism from 'S. J. Harris and D. G. Goodwin, 'Growth on
+# the reconstructed diamond (100) surface, 'J. Phys. Chem. vol. 97,
+# 23-28 (1993). reactions a - t are taken directly from Table II,
+# with thermochemistry from Table IV. Reaction u is added here.
 
 
 units(length = 'cm', quantity = 'mol', act_energy = 'kcal/mol')
 
+#------------- the gas -------------------------------------
+
 ideal_gas(name = 'gas',
           elements = 'H C',
           species = 'gri30: H H2 CH3 CH4',
-          initial_state = state(temperature = 1200.0,
-                                pressure = 1.0e3,
-                                mole_fractions = 'H:0.002, H2:1, CH4:0.01, CH3:0.0002'))
+          initial_state = state(
+              temperature = 1200.0,
+              pressure = 20.0 * OneAtm / 760.0,
+              mole_fractions = 'H:0.002, H2:0.988, CH3:0.0002, CH4:0.01',
+          )
+)
+
+#------------- bulk diamond -------------------------------------
 
 stoichiometric_solid(name = 'diamond',
-           elements = 'C',
-           density = (3.52, 'g/cm3'),
-           species = 'C(d)')
+                     elements = 'C',
+                     density = (3.52, 'g/cm3'),
+                     species = 'C(d)')
+
+species(name = 'C(d)',
+        atoms = 'C:1')  # no thermo needed (reaction is irreversible)
+
+#------------- the diamond surface -------------------------------------
 
 ideal_interface(name = 'diamond_100',
                 elements = 'H C',
                 species = 'c6HH c6H* c6*H c6** c6HM c6HM* c6*M c6B ',
                 reactions = 'all',
                 phases = 'gas diamond',
-                site_density = (3.0e-9, 'mol/cm2'),
+                site_density = (3.0E-9, 'mol/cm2'),
                 initial_state = state(temperature = 1200.0,
                                       coverages = 'c6H*:0.1, c6HH:0.9'))
 
-species(name = 'C(d)',
-        atoms = 'C:1',
-        thermo = const_cp() )
-
 # an empty surface site
 species(name = 'c6H*',
         atoms = 'H:1',
-        thermo = const_cp(h0 = (51.7, 'kcal/mol'), s0 = (19.5, 'cal/mol/K') ) )
+        thermo = const_cp(h0 = (51.7, 'kcal/mol'),
+                          s0 = (19.5, 'cal/mol/K')))
 
 species(name = 'c6*H',
         atoms = 'H:1',
-        thermo = const_cp(h0 = (46.1, 'kcal/mol'), s0 = (19.9, 'cal/mol/K') ) )
+        thermo = const_cp(h0 = (46.1, 'kcal/mol'),
+                          s0 = (19.9, 'cal/mol/K')))
 
 # a hydrogen-terminated site
 species(name = 'c6HH',
         atoms = 'H:2',
-        thermo = const_cp(t0 = 1200.0, h0 = (11.4, 'kcal/mol'),
-                          s0 = (21.0, 'cal/mol/K'))
-       )
+        thermo = const_cp(h0 = (11.4, 'kcal/mol'),
+                          s0 = (21.0, 'cal/mol/K')))
 
 species(name = 'c6HM',
         atoms = 'C:1 H:4',
         thermo = const_cp(h0 = (26.9, 'kcal/mol'),
-                          s0 = (40.3, 'cal/mol/K') )
-       )
+                          s0 = (40.3, 'cal/mol/K')))
 
 species(name = 'c6HM*',
         atoms = 'C:1 H:3',
         thermo = const_cp(h0 = (65.8, 'kcal/mol'),
-                          s0 = (40.1, 'cal/mol/K') )
-       )
+                          s0 = (40.1, 'cal/mol/K')))
 
 species(name = 'c6*M',
         atoms = 'C:1 H:3',
         thermo = const_cp(h0 = (53.3, 'kcal/mol'),
-                          s0 = (38.9, 'cal/mol/K') )
-       )
+                          s0 = (38.9, 'cal/mol/K')))
 
 species(name = 'c6**',
         atoms = 'C:0',
         thermo = const_cp(h0 = (90.0, 'kcal/mol'),
-                          s0 = (18.4, 'cal/mol/K') )
-       )
+                          s0 = (18.4, 'cal/mol/K')))
 
 species(name = 'c6B',
         atoms = 'H:2 C:1',
         thermo = const_cp(h0 = (40.9, 'kcal/mol'),
-                          s0 = (26.9, 'cal/mol/K') ) )
+                          s0 = (26.9, 'cal/mol/K')))
 
-surface_reaction('c6HH + H <=> c6H* + H2',        [1.3e14,   0.0,  7.3]) # a
-surface_reaction('c6H* + H <=> c6HH',             [1.0e13,   0.0,  0.0]) # b
-surface_reaction('c6H* + CH3 <=> c6HM',           [5.0e12,   0.0,  0.0]) # c
-surface_reaction('c6HM + H <=> c6*M + H2',        [1.3e14,   0.0,  7.3]) # d
-surface_reaction('c6*M + H <=> c6HM',             [1.0e13,   0.0,  0.0]) # e
-surface_reaction('c6HM + H <=> c6HM* + H2',       [2.8e7,    2.0,  7.7]) # f
-surface_reaction('c6HM* + H <=> c6HM',            [1.0e13,   0.0,  0.0]) # g
-surface_reaction('c6HM* <=> c6*M',               [1.0e8,    0.0,  0.0]) # h
-surface_reaction('c6HM* + H <=> c6H* + CH3',      [3.0e13,   0.0,  0.0]) # i
-surface_reaction('c6HM* + H <=> c6B + H2',        [1.3e14,   0.0,  7.3]) # k
-surface_reaction('c6*M + H <=> c6B + H2',         [2.8e7,    2.0,  7.7]) # l
-surface_reaction('c6HH + H <=> c6*H + H2',        [1.3e14,   0.0,  7.3]) # m
-surface_reaction('c6*H + H <=> c6HH',             [1.0e13,   0.0,  0.0]) # n
-surface_reaction('c6H* + H <=> c6** + H2',        [1.3e14,   0.0,  7.3]) # o
-surface_reaction('c6** + H <=> c6H*',              [1.0e13,   0.0,  0.0]) # p
-surface_reaction('c6*H + H <=> c6** + H2',        [4.5e6,    2.0,  5.0]) # q
-surface_reaction('c6** + H <=> c6*H',             [1.0e13,   0.0,  0.0]) # r
-surface_reaction('c6** + CH3 <=> c6*M',           [5.0e12,   0.0,  0.0]) # s
-surface_reaction('c6H* <=> c6*H',                 [1.0e8,    0.0,  0.0]) # t
-surface_reaction('c6B  => c6HH + C(d)',           [1.0e9,    0.0,  0.0])
+surface_reaction('c6HH + H   <=> c6H* + H2',   [1.3E14, 0.0, 7.3])  # a
+surface_reaction('c6H* + H   <=> c6HH',        [1.0E13, 0.0, 0.0])  # b
+surface_reaction('c6H* + CH3 <=> c6HM',        [5.0E12, 0.0, 0.0])  # c
+surface_reaction('c6HM + H   <=> c6*M + H2',   [1.3E14, 0.0, 7.3])  # d
+surface_reaction('c6*M + H   <=> c6HM',        [1.0E13, 0.0, 0.0])  # e
+surface_reaction('c6HM + H   <=> c6HM* + H2',  [2.8E7,  2.0, 7.7])  # f
+surface_reaction('c6HM* + H  <=> c6HM',        [1.0E13, 0.0, 0.0])  # g
+surface_reaction('c6HM*      <=> c6*M',        [1.0E8,  0.0, 0.0])  # h
+surface_reaction('c6HM* + H  <=> c6H* + CH3',  [3.0E13, 0.0, 0.0])  # i
+surface_reaction('c6HM* + H  <=> c6B + H2',    [1.3E14, 0.0, 7.3])  # k
+surface_reaction('c6*M + H   <=> c6B + H2',    [2.8E7,  2.0, 7.7])  # l
+surface_reaction('c6HH + H   <=> c6*H + H2',   [1.3E14, 0.0, 7.3])  # m
+surface_reaction('c6*H + H   <=> c6HH',        [1.0E13, 0.0, 0.0])  # m
+surface_reaction('c6H* + H   <=> c6** + H2',   [1.3E14, 0.0, 7.3])  # o
+surface_reaction('c6** + H   <=> c6H*',        [1.0E13, 0.0, 0.0])  # p
+surface_reaction('c6*H + H   <=> c6** + H2',   [4.5E6,  2.0, 5.0])  # q
+surface_reaction('c6** + H   <=> c6*H',        [1.0E13, 0.0, 0.0])  # r
+surface_reaction('c6** + CH3 <=> c6*M',        [5.0E12, 0.0, 0.0])  # s
+surface_reaction('c6H*       <=> c6*H',        [1.0E8,  0.0, 0.0])  # t
+
+# reaction to add new carbon atom to bulk and regenerate a new site
+#
+surface_reaction('c6B         => c6HH + C(d)', [1.0E9,  0.0, 0.0])  # u
diff --git a/interfaces/cython/cantera/examples/surface_chemistry/diamond_cvd.py b/interfaces/cython/cantera/examples/surface_chemistry/diamond_cvd.py
index e9261a857..41ddf83b4 100644
--- a/interfaces/cython/cantera/examples/surface_chemistry/diamond_cvd.py
+++ b/interfaces/cython/cantera/examples/surface_chemistry/diamond_cvd.py
@@ -12,6 +12,7 @@ coverages as a function of [H] at the surface for fixed temperature and [CH3].
 
 import csv
 import cantera as ct
+import pandas as pd
 
 print('\n******  CVD Diamond Example  ******\n')
 
@@ -21,7 +22,6 @@ g, dbulk = ct.import_phases('diamond.cti', ['gas', 'diamond'])
 # import the model for the diamond (100) surface
 d = ct.Interface('diamond.cti', 'diamond_100', [g, dbulk])
 
-ns = d.n_species
 mw = dbulk.molecular_weights[0]
 
 t = 1200.0
@@ -32,23 +32,45 @@ g.TP = t, p
 ih = g.species_index('H')
 
 xh0 = x[ih]
-f = open('diamond.csv', 'w')
-writer = csv.writer(f)
-writer.writerow(['H mole Fraction', 'Growth Rate (microns/hour)'] +
-                d.species_names)
 
-iC = d.kinetics_species_index(dbulk.species_index('C(d)'), 1)
+with open('diamond.csv', 'w', newline='') as f:
+    writer = csv.writer(f)
+    writer.writerow(['H mole Fraction', 'Growth Rate (microns/hour)'] +
+                    d.species_names)
 
-for n in range(20):
-    x[ih] /= 1.4
-    g.TPX = t, p, x
-    d.advance_coverages(10.0)  # integrate the coverages to steady state
-    carbon_dot = d.net_production_rates[iC]
-    mdot = mw * carbon_dot
-    rate = mdot / dbulk.density
-    writer.writerow([x[ih], rate * 1.0e6 * 3600.0] + list(d.coverages))
+    iC = d.kinetics_species_index(dbulk.species_index('C(d)'), 1)
 
-f.close()
+    for n in range(20):
+        x[ih] /= 1.4
+        g.TPX = t, p, x
+        d.advance_coverages(10.0)  # integrate the coverages to steady state
+        carbon_dot = d.net_production_rates[iC]
+        mdot = mw * carbon_dot
+        rate = mdot / dbulk.density
+        writer.writerow([x[ih], rate * 1.0e6 * 3600.0] + list(d.coverages))
 
-print('H concentration, growth rate, and surface coverages '
-      'written to file diamond.csv')
+    print('H concentration, growth rate, and surface coverages '
+          'written to file diamond.csv')
+
+try:
+    import matplotlib.pyplot as plt
+    data = pd.read_csv('diamond.csv')
+
+    plt.figure()
+    plt.plot(data['H mole Fraction'], data['Growth Rate (microns/hour)'])
+    plt.xlabel('H Mole Fraction')
+    plt.ylabel('Growth Rate (microns/hr)')
+    plt.show()
+
+    plt.figure()
+    for name in data:
+        if name.startswith('H mole') or name.startswith('Growth'):
+            continue
+        plt.plot(data['H mole Fraction'], data[name], label=name)
+
+    plt.legend()
+    plt.xlabel('H Mole Fraction')
+    plt.ylabel('Coverage')
+    plt.show()
+except ImportError:
+    print("Install matplotlib to plot the outputs")
diff --git a/interfaces/cython/cantera/test/test_reactor.py b/interfaces/cython/cantera/test/test_reactor.py
index 0c35523db..cbe490ce0 100644
--- a/interfaces/cython/cantera/test/test_reactor.py
+++ b/interfaces/cython/cantera/test/test_reactor.py
@@ -983,6 +983,7 @@ class TestSurfaceKinetics(utilities.CanteraTest):
         self.solid = ct.Solution('diamond.xml', 'diamond')
         self.interface = ct.Interface('diamond.xml', 'diamond_100',
                                       (self.gas, self.solid))
+        self.gas.TPX = None, 1.0e3, 'H:0.002, H2:1, CH4:0.01, CH3:0.0002'
         self.r1 = ct.IdealGasReactor(self.gas)
         self.r1.volume = 0.01
         self.net.add_reactor(self.r1)
diff --git a/test_problems/diamondSurf/diamond.cti b/test_problems/diamondSurf/diamond.cti
deleted file mode 100644
index f17ed90d3..000000000
--- a/test_problems/diamondSurf/diamond.cti
+++ /dev/null
@@ -1,107 +0,0 @@
-
-# Trough mechanism from 'S. J. Harris and D. G. Goodwin, 'Growth on
-# the reconstructed diamond (100) surface, 'J. Phys. Chem. vo. 97,
-# 23-28 (1993). reactions a - t are taken directly from Table II,
-# with thermochemistry from Table IV. Reaction u is added here.
-
-
-units(length = 'cm', quantity = 'mol', act_energy = 'kcal/mol')
-
-#------------- the gas -------------------------------------
-
-ideal_gas(name = 'gas',
-          elements = 'H C',
-          species = 'gri30: H H2 CH3 CH4',
-          initial_state = state(temperature = 1200.0,
-                                pressure = 20.0*OneAtm/760.0,
-                    mole_fractions = 'H:0.002, H2:0.988, CH3:0.0002, CH4:0.01'))
-
-
-#------------- bulk diamond -------------------------------------
-
-stoichiometric_solid(name = 'diamond',
-                     elements = 'H C',
-                     density = (3.52, 'g/cm3'),
-                     species = 'C(d)')
-
-species(name = 'C(d)',
-        atoms = 'C:1')   #no thermo needed (rxn is ireversible)
-
-
-#------------- the diamond surface -------------------------------------
-
-ideal_interface(name = 'diamond_100',
-                elements = ' H C ',
-                species = 'c6HH c6H* c6*H c6** c6HM c6HM* c6*M c6B',
-                reactions = 'all',
-                phases = 'gas diamond',
-                site_density = (3.0E-9, 'mol/cm2'),
-                initial_state = state(temperature= 1200.0,
-                                      coverages = 'c6H*:0.1, c6HH:0.9'))
-
-
-species(name = 'c6H*',
-        atoms = 'H:1',
-        thermo = const_cp(h0 = (51.7, 'kcal/mol'),
-                          s0 = (19.5, 'cal/mol/K') ) )
-
-species(name = 'c6*H',
-        atoms = 'H:1',
-        thermo = const_cp(h0 = (46.1, 'kcal/mol'),
-                          s0 = (19.9, 'cal/mol/K') ) )
-
-species(name = 'c6HH',
-        atoms = 'H:2',
-        thermo = const_cp(h0 = (11.4, 'kcal/mol'),
-                          s0 = (21.0, 'cal/mol/K') ) )
-
-species(name = 'c6HM',
-        atoms = 'C:1 H:4',
-        thermo = const_cp(h0 = (26.9, 'kcal/mol'),
-                          s0 = (40.3, 'cal/mol/K') ) )
-
-species(name = 'c6HM*',
-        atoms = 'C:1 H:3',
-        thermo = const_cp(h0 = (65.8, 'kcal/mol'),
-                          s0 = (40.1, 'cal/mol/K') ) )
-
-species(name = 'c6*M',
-        atoms = 'C:1 H:3',
-        thermo = const_cp(h0 = (53.3, 'kcal/mol'),
-                          s0 = (38.9, 'cal/mol/K') ) )
-
-species(name = 'c6**',
-        atoms = 'C:0',
-        thermo = const_cp(h0 = (90.0, 'kcal/mol'),
-                          s0 = (18.4, 'cal/mol/K') ) )
-
-species(name = 'c6B',
-        atoms = 'H:2 C:1',
-        thermo = const_cp(h0 = (40.9, 'kcal/mol'),
-                          s0 = (26.9, 'cal/mol/K') ) )
-
-
-
-surface_reaction( 'c6HH + H   <=> c6H* + H2',       [1.3E14, 0.0, 7.3]) #a
-surface_reaction( 'c6H* + H   <=> c6HH',            [1.0E13, 0.0, 0.0]) #b
-surface_reaction( 'c6H* + CH3 <=> c6HM',            [5.0E12, 0.0, 0.0]) #c
-surface_reaction( 'c6HM + H   <=> c6*M + H2',       [1.3E14, 0.0, 7.3]) #d
-surface_reaction( 'c6*M + H   <=> c6HM',            [1.0E13, 0.0, 0.0]) #e
-surface_reaction( 'c6HM + H   <=> c6HM* + H2',      [2.8E7,  0.0, 7.7]) #f
-surface_reaction( 'c6HM* + H  <=> c6HM',            [1.0E13, 0.0, 0.0]) #g
-surface_reaction( 'c6HM*      <=> c6*M',            [1.0E8,  0.0, 0.0]) #h
-surface_reaction( 'c6HM* + H  <=> c6H* + CH3',      [3.0E13, 0.0, 0.0]) #i
-surface_reaction( 'c6HM* + H  <=> c6B + H2',        [1.3E14, 0.0, 7.3]) #k
-surface_reaction( 'c6*M + H   <=> c6B + H2',        [2.8E7,  2.0, 7.7]) #l
-surface_reaction( 'c6HH + H   <=> c6*H + H2',       [1.3E14, 0.0, 7.3]) #m
-surface_reaction( 'c6*H + H   <=> c6HH',            [1.0E13, 0.0, 0.0]) #m
-surface_reaction( 'c6H* + H   <=> c6** + H2',       [1.3E14, 0.0, 7.3]) #o
-surface_reaction( 'c6** + H   <=> c6H*',            [1.0E13, 0.0, 0.0]) #p
-surface_reaction( 'c6*H + H   <=> c6** + H2',       [4.5E6,  2.0, 5.0]) #q
-surface_reaction( 'c6** + H   <=> c6*H',            [1.0E13, 0.0, 0.0]) #r
-surface_reaction( 'c6** + CH3 <=> c6*M',            [5.0E12, 0.0, 0.0]) #s
-surface_reaction( 'c6H*       <=> c6*H',            [1.0E8,  0.0, 0.0]) #t
-
-# reaction to add new carbon atom to bulk and regenerate a new site
-#
-surface_reaction( 'c6B       <=> c6HH + C(d)',      [1.0E9,  0.0, 0.0]) #u
diff --git a/test_problems/diamondSurf/diamond_blessed.xml b/test_problems/diamondSurf/diamond_blessed.xml
index 812d61a8a..0607c6833 100644
--- a/test_problems/diamondSurf/diamond_blessed.xml
+++ b/test_problems/diamondSurf/diamond_blessed.xml
@@ -18,7 +18,7 @@
 
   <!-- phase diamond     -->
   <phase dim="3" id="diamond">
-    <elementArray datasrc="elements.xml">H C</elementArray>
+    <elementArray datasrc="elements.xml">C</elementArray>
     <speciesArray datasrc="#species_data">C(d)</speciesArray>
     <thermo model="StoichSubstance">
       <density units="g/cm3">3.52</density>
@@ -29,8 +29,8 @@
 
   <!-- phase diamond_100     -->
   <phase dim="2" id="diamond_100">
-    <elementArray datasrc="elements.xml">H C </elementArray>
-    <speciesArray datasrc="#species_data">c6HH c6H* c6*H c6** c6HM c6HM* c6*M c6B</speciesArray>
+    <elementArray datasrc="elements.xml">H C</elementArray>
+    <speciesArray datasrc="#species_data">c6HH c6H* c6*H c6** c6HM c6HM* c6*M c6B </speciesArray>
     <reactionArray datasrc="#reaction_data"/>
     <state>
       <temperature units="K">1200.0</temperature>
@@ -52,7 +52,7 @@
       <atomArray>C:1 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
+           <t0 units="K">298.15</t0>
            <h0 units="J/mol">0.0</h0>
            <s0 units="J/mol/K">0.0</s0>
            <cp0 units="J/mol/K">0.0</cp0>
@@ -65,8 +65,8 @@
       <atomArray>H:1 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
-           <h0 units="kcal/mol">51.700000000000003</h0>
+           <t0 units="K">298.15</t0>
+           <h0 units="kcal/mol">51.7</h0>
            <s0 units="cal/mol/K">19.5</s0>
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
@@ -78,9 +78,9 @@
       <atomArray>H:1 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
-           <h0 units="kcal/mol">46.100000000000001</h0>
-           <s0 units="cal/mol/K">19.899999999999999</s0>
+           <t0 units="K">298.15</t0>
+           <h0 units="kcal/mol">46.1</h0>
+           <s0 units="cal/mol/K">19.9</s0>
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
       </thermo>
@@ -91,7 +91,7 @@
       <atomArray>H:2 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
+           <t0 units="K">298.15</t0>
            <h0 units="kcal/mol">11.4</h0>
            <s0 units="cal/mol/K">21.0</s0>
            <cp0 units="J/mol/K">0.0</cp0>
@@ -101,12 +101,12 @@
 
     <!-- species c6HM    -->
     <species name="c6HM">
-      <atomArray>H:4 C:1 </atomArray>
+      <atomArray>C:1 H:4 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
-           <h0 units="kcal/mol">26.899999999999999</h0>
-           <s0 units="cal/mol/K">40.299999999999997</s0>
+           <t0 units="K">298.15</t0>
+           <h0 units="kcal/mol">26.9</h0>
+           <s0 units="cal/mol/K">40.3</s0>
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
       </thermo>
@@ -114,12 +114,12 @@
 
     <!-- species c6HM*    -->
     <species name="c6HM*">
-      <atomArray>H:3 C:1 </atomArray>
+      <atomArray>C:1 H:3 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
-           <h0 units="kcal/mol">65.799999999999997</h0>
-           <s0 units="cal/mol/K">40.100000000000001</s0>
+           <t0 units="K">298.15</t0>
+           <h0 units="kcal/mol">65.8</h0>
+           <s0 units="cal/mol/K">40.1</s0>
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
       </thermo>
@@ -127,12 +127,12 @@
 
     <!-- species c6*M    -->
     <species name="c6*M">
-      <atomArray>H:3 C:1 </atomArray>
+      <atomArray>C:1 H:3 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
-           <h0 units="kcal/mol">53.299999999999997</h0>
-           <s0 units="cal/mol/K">38.899999999999999</s0>
+           <t0 units="K">298.15</t0>
+           <h0 units="kcal/mol">53.3</h0>
+           <s0 units="cal/mol/K">38.9</s0>
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
       </thermo>
@@ -143,9 +143,9 @@
       <atomArray>C:0 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
+           <t0 units="K">298.15</t0>
            <h0 units="kcal/mol">90.0</h0>
-           <s0 units="cal/mol/K">18.399999999999999</s0>
+           <s0 units="cal/mol/K">18.4</s0>
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
       </thermo>
@@ -153,12 +153,12 @@
 
     <!-- species c6B    -->
     <species name="c6B">
-      <atomArray>H:2 C:1 </atomArray>
+      <atomArray>C:1 H:2 </atomArray>
       <thermo>
         <const_cp Tmax="5000.0" Tmin="100.0">
-           <t0 units="K">298.14999999999998</t0>
-           <h0 units="kcal/mol">40.899999999999999</h0>
-           <s0 units="cal/mol/K">26.899999999999999</s0>
+           <t0 units="K">298.15</t0>
+           <h0 units="kcal/mol">40.9</h0>
+           <s0 units="cal/mol/K">26.9</s0>
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
       </thermo>
@@ -176,7 +176,7 @@
            <E units="kcal/mol">7.300000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>H:1 c6HH:1.0</reactants>
+      <reactants>c6HH:1.0 H:1</reactants>
       <products>H2:1 c6H*:1.0</products>
     </reaction>
 
@@ -190,7 +190,7 @@
            <E units="kcal/mol">0.000000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>c6H*:1.0 H:1</reactants>
+      <reactants>H:1 c6H*:1.0</reactants>
       <products>c6HH:1.0</products>
     </reaction>
 
@@ -204,7 +204,7 @@
            <E units="kcal/mol">0.000000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>c6H*:1.0 CH3:1</reactants>
+      <reactants>CH3:1 c6H*:1.0</reactants>
       <products>c6HM:1.0</products>
     </reaction>
 
@@ -219,7 +219,7 @@
         </Arrhenius>
       </rateCoeff>
       <reactants>H:1 c6HM:1.0</reactants>
-      <products>H2:1 c6*M:1.0</products>
+      <products>c6*M:1.0 H2:1</products>
     </reaction>
 
     <!-- reaction 0005    -->
@@ -232,7 +232,7 @@
            <E units="kcal/mol">0.000000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>H:1 c6*M:1.0</reactants>
+      <reactants>c6*M:1.0 H:1</reactants>
       <products>c6HM:1.0</products>
     </reaction>
 
@@ -242,7 +242,7 @@
       <rateCoeff>
         <Arrhenius>
            <A>2.800000E+04</A>
-           <b>0.0</b>
+           <b>2.0</b>
            <E units="kcal/mol">7.700000</E>
         </Arrhenius>
       </rateCoeff>
@@ -260,7 +260,7 @@
            <E units="kcal/mol">0.000000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>c6HM*:1.0 H:1</reactants>
+      <reactants>H:1 c6HM*:1.0</reactants>
       <products>c6HM:1.0</products>
     </reaction>
 
@@ -288,8 +288,8 @@
            <E units="kcal/mol">0.000000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>c6HM*:1.0 H:1</reactants>
-      <products>c6H*:1.0 CH3:1</products>
+      <reactants>H:1 c6HM*:1.0</reactants>
+      <products>CH3:1 c6H*:1.0</products>
     </reaction>
 
     <!-- reaction 0010    -->
@@ -302,8 +302,8 @@
            <E units="kcal/mol">7.300000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>c6HM*:1.0 H:1</reactants>
-      <products>H2:1 c6B:1.0</products>
+      <reactants>H:1 c6HM*:1.0</reactants>
+      <products>c6B:1.0 H2:1</products>
     </reaction>
 
     <!-- reaction 0011    -->
@@ -316,8 +316,8 @@
            <E units="kcal/mol">7.700000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>H:1 c6*M:1.0</reactants>
-      <products>H2:1 c6B:1.0</products>
+      <reactants>c6*M:1.0 H:1</reactants>
+      <products>c6B:1.0 H2:1</products>
     </reaction>
 
     <!-- reaction 0012    -->
@@ -330,8 +330,8 @@
            <E units="kcal/mol">7.300000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>H:1 c6HH:1.0</reactants>
-      <products>H2:1 c6*H:1.0</products>
+      <reactants>c6HH:1.0 H:1</reactants>
+      <products>c6*H:1.0 H2:1</products>
     </reaction>
 
     <!-- reaction 0013    -->
@@ -358,7 +358,7 @@
            <E units="kcal/mol">7.300000</E>
         </Arrhenius>
       </rateCoeff>
-      <reactants>c6H*:1.0 H:1</reactants>
+      <reactants>H:1 c6H*:1.0</reactants>
       <products>H2:1 c6**:1.0</products>
     </reaction>
 
@@ -433,8 +433,8 @@
     </reaction>
 
     <!-- reaction 0020    -->
-    <reaction reversible="yes" type="surface" id="0020">
-      <equation>c6B       [=] c6HH + C(d)</equation>
+    <reaction reversible="no" type="surface" id="0020">
+      <equation>c6B         =] c6HH + C(d)</equation>
       <rateCoeff>
         <Arrhenius>
            <A>1.000000E+09</A>
@@ -443,7 +443,7 @@
         </Arrhenius>
       </rateCoeff>
       <reactants>c6B:1.0</reactants>
-      <products>C(d):1 c6HH:1.0</products>
+      <products>c6HH:1.0 C(d):1</products>
     </reaction>
   </reactionData>
 </ctml>
diff --git a/test_problems/diamondSurf/runDiamond_blessed.out b/test_problems/diamondSurf/runDiamond_blessed.out
index 3bca4e239..c3df420d4 100644
--- a/test_problems/diamondSurf/runDiamond_blessed.out
+++ b/test_problems/diamondSurf/runDiamond_blessed.out
@@ -2,11 +2,11 @@ Number of species = 4
 Number of species in diamond = 1
 Number of species in diamond_100 = 8
 Number of reactions = 20
-0  1  -8.95749e-05
-1  2  4.48403e-05
-2  3  -3.51539e-08
+0  1  -8.96e-05
+1  2  4.486e-05
+2  3  -3.801e-08
 3  4   nil
-4  0  3.51539e-08
+4  0  3.801e-08
 5  2   nil
 6  1   nil
 7  1   nil
@@ -16,13 +16,13 @@ Number of reactions = 20
 11  3   nil
 12  2   nil
 sum =  nil
-growth rate = 0.43183 microns per hour
+growth rate = 0.4669 microns per hour
 Coverages:
-0   c6HH   0.462262
-1   c6H*   0.037052
-2   c6*H   0.474283
-3   c6**   0.0219442
-4   c6HM   0.00174652
-5   c6HM*   2.56272e-05
-6   c6*M   0.00264858
-7   c6B   3.8171e-05
+0   c6HH   0.4622
+1   c6H*   0.03704
+2   c6*H   0.4742
+3   c6**   0.02194
+4   c6HM   0.001731
+5   c6HM*   2.772e-05
+6   c6*M   0.002864
+7   c6B   1.267e-09