-
Notifications
You must be signed in to change notification settings - Fork 4
/
POSCAR_template
72 lines (72 loc) · 4.05 KB
/
POSCAR_template
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
Si
1.00000000000000
10.9318799999999996 0.0000000000000000 0.0000000000000000
0.0000000000000000 10.9318799999999996 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.9318799999999996
Si
64
Direct
0.1719055534224554 0.0216173683480096 0.0940961053856210
0.1286971506555816 0.2912962408543877 0.3565921297468550
0.4158284258083399 0.0353138304763840 0.3391861196220057
0.3939975029775100 0.2725219930270841 0.1026985352509065
0.5387571635961332 0.1432936395704604 0.4774575109595818
0.2761479199612449 0.1548409804018837 0.2208444581585803
0.2739867221769731 0.3691469306617741 0.4830842480800024
0.5392756622599757 0.4075059410562434 0.2255219850685756
0.6719643050645265 0.0114568767482641 0.1125960230102144
0.6565898113946352 0.2643204342196788 0.3401947463089615
0.9217387252923279 0.0168831030960134 0.3690208329933803
0.9053751894939691 0.2588096570579649 0.0975884941962932
0.0339201918280411 0.1545504319773593 0.4973728248470016
0.7914613677237856 0.1326647941516118 0.2417077667741853
0.7655489150651943 0.3938243753579503 0.4775986554786771
0.0039486314653360 0.3902021909795448 0.2150622423646894
0.1469475636798228 0.5088829885960591 0.1018465440779427
0.1506685430389125 0.7851369843760634 0.3358356738402046
0.4047079139545043 0.5161624809442518 0.3818300547301840
0.4032852089452507 0.7498207207784487 0.1208061758502614
0.5110630304134812 0.6393257070814513 0.4839952501906263
0.2558838924662790 0.6377904069289237 0.2418104773282558
0.2925489852792277 0.9166322760610112 0.4454712736361005
0.5264366150601740 0.8944920950838066 0.2169604433357059
0.6669285018169776 0.5271233236860402 0.0978341150314505
0.6253124208423007 0.7714244916058102 0.3618531243382491
0.8907579814918717 0.5185019112589990 0.3415890101635273
0.9189545201205523 0.7532526243812661 0.1021386107578448
0.0267673400959133 0.6441711824493211 0.4592573862256394
0.7700939561827951 0.6608857380850193 0.2368151819093832
0.7703054655474378 0.8892147606192299 0.4706914479144992
0.0304812832135176 0.8968404477816441 0.2113200929641413
0.1512461530771010 0.0156367543941449 0.5912166037774218
0.1558000719939097 0.2422025334406971 0.8541993715895132
0.4120052634644463 0.0052377377613036 0.8556532264496912
0.4029504128983386 0.2434431222664621 0.6127718050712557
0.5360822966422145 0.1327823159496300 0.9924595811755382
0.2704233193809325 0.1065973078169031 0.7343876166460485
0.2628291611222726 0.4004081406597266 0.9707125110247048
0.5216852144785953 0.3767879075529819 0.7351045588336763
0.6335429569198512 0.0210605434785550 0.6180043454484395
0.6620629664453980 0.2576865220122579 0.8578671631866615
0.9043487312579122 0.0156560586113993 0.8642761626901866
0.8814199564541466 0.2758318903876922 0.6001472252870015
0.0236310588646464 0.1285352623296820 0.9842189108295480
0.7680984804444513 0.1361750303817616 0.7406215980076992
0.7856161520217967 0.3885557959134380 0.9862511059015003
0.0393584655137456 0.3814139852035424 0.7111623403851789
0.1643092212395631 0.5358582541110735 0.5751641296911983
0.1388262793290350 0.7521108157768871 0.8506400899705094
0.3808101798093874 0.5040744495278925 0.8367911485374594
0.3918944946988004 0.7912867355186299 0.5918522077200903
0.5288242799123624 0.6128544025252065 0.9666040485923313
0.2888174388027741 0.6491890512644524 0.7088270593831664
0.2764996955894031 0.8738525725287757 0.9879789383897289
0.5342650264908311 0.8880508533400742 0.7329537856496344
0.6425905072195505 0.5108388936498170 0.6051714673870097
0.6525050205191667 0.7641020291256579 0.8590034502640851
0.9042233560414382 0.4807745714606809 0.8175734068314601
0.9088913725593171 0.7792774421035521 0.5937292135155493
0.0136976520292279 0.6062756013108251 0.9580283380658653
0.7882014390118380 0.6525706325257783 0.7124014718135119
0.7786761289332969 0.8812500124742423 0.9822213280750420
0.0151892730132090 0.9113820817867153 0.7187814270277305