POSCAR
2019-12-24 本文已影响0人
光头披风侠
黒磷
p1
1.0
3.3199000359 0.0000000000 0.0000000000
0.0000000000 10.3677997589 0.0000000000
0.0000000000 0.0000000000 4.3154001236
P
8
Direct
0.500000000 0.104370002 0.917900012
0.500000000 0.895629975 0.082099975
0.500000000 0.395630021 0.417900094
0.500000000 0.604369979 0.582099988
0.000000000 0.604369979 0.917900012
-0.000000000 0.395630021 0.082099975
0.000000000 0.895629975 0.417900094
-0.000000000 0.104370002 0.582099988
金刚石
c1
1.0
3.5666060448 0.0000000000 0.0000000000
0.0000000000 3.5666060448 0.0000000000
0.0000000000 0.0000000000 3.5666060448
C
8
Direct
0.000000000 0.000000000 0.000000000
-0.000000000 0.500000000 0.500000000
0.500000000 0.500000000 0.000000000
0.500000000 -0.000000000 0.500000000
0.749999967 0.250000000 0.749999967
0.250000000 0.250000000 0.250000000
0.250000000 0.749999967 0.749999967
0.749999967 0.749999967 0.250000000
闪锡矿
s1 zn1
1.0
5.4340000153 0.0000000000 0.0000000000
0.0000000000 5.4340000153 0.0000000000
0.0000000000 0.0000000000 5.4340000153
Zn S
4 4
Direct
0.000000000 0.000000000 0.000000000
0.000000000 0.500000000 0.500000000
0.500000000 0.000000000 0.500000000
0.500000000 0.500000000 0.000000000
0.250000000 0.250000000 0.250000000
0.750000000 0.750000000 0.250000000
0.750000000 0.250000000 0.750000000
0.250000000 0.750000000 0.750000000
