Li Si
Li Si
Li7Si3(S)
1.39
Li Si
Li(i) V(i)
1.046344E-2
725.0
1.0
Li(i):0.01 V(i):0.99
Li7Si3(S):1.0
Li7Si3_Interstitial:1.0
Li:7 Si:3
295.73961 ,
-6.753295 ,
-44.538551 ,
29.738846 ,
-1.022387 ,
-348.88919 ,
554.35647
250.51429 ,
51.125155 ,
-28.341244 ,
6.242135 ,
1.346861 ,
-328.46578 ,
498.84106
1.39
Li:2.3333333333333 Si:1.0
98.57987 ,
-2.2510983 ,
-14.846184 ,
9.9129487 ,
-0.34079567,
-116.2964 ,
184.78549
83.504763 ,
17.041718 ,
-9.4470813 ,
2.0807117 ,
0.44895367 ,
-109.48859 ,
166.28035
1.39
Li:1
298.14999999999998
0.0E5
20.0
20.0
298.14999999999998
89.8
0.0
0.0