-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathP_Interstitial.xyz
67 lines (67 loc) · 6.81 KB
/
P_Interstitial.xyz
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
65
Lattice="11.70751661 0.0 0.0 0.0 11.70751661 0.0 0.0 0.0 11.70751661" Properties=species:S:1:pos:R:3:forces:R:3 energy=-312.10641562 pbc="T T T"
In 8.78064000 8.78064000 8.25678000 -0.00202700 -0.00202700 -0.07848400
In 0.06159000 0.06159000 8.71056000 0.00186000 0.00186000 0.01784200
In 0.07655000 8.79661000 0.05676000 -0.01040200 0.02100100 0.01632500
In 8.79661000 0.07655000 0.05676000 0.02100100 -0.01040200 0.01632500
In 0.06141000 8.80402000 5.74079000 0.01017300 -0.02254800 0.02153100
In 11.67542000 5.88586000 8.79848000 0.01481100 -0.01558300 -0.03027200
In 8.80402000 0.06141000 5.74079000 -0.02254800 0.01017300 0.02153100
In 8.76466000 5.77721000 0.05676000 -0.00647000 0.03394300 -0.00727300
In 5.88586000 11.67542000 8.79848000 -0.01558300 0.01481100 -0.03027200
In 5.77721000 8.76466000 0.05676000 0.03394300 -0.00647000 -0.00727300
In 8.75725000 5.79235000 5.74079000 0.01980500 0.02808600 0.05369100
In 5.79235000 8.75725000 5.74079000 0.02808600 0.01980500 0.05369100
In 5.79217000 5.79217000 8.71056000 0.03395900 0.03395900 0.02433300
In 2.93078000 8.78640000 8.76226000 -0.04146700 -0.03272100 -0.04739900
In 8.78640000 2.93078000 8.76226000 -0.03272100 -0.04146700 -0.04739900
In 8.78064000 8.78064000 2.90532000 0.00754300 0.00754300 -0.20195200
In 2.92869000 0.00312000 11.70069000 0.01641000 -0.00749900 -0.01850900
In 0.00312000 2.92869000 11.70069000 -0.00749900 0.01641000 -0.01850900
In 0.01345000 0.01345000 2.93850000 0.07241500 0.07241500 -0.29242300
In 2.94327000 0.01059000 5.82643000 -0.05290500 0.07947500 0.10421600
In 0.01059000 2.94327000 5.82643000 0.07947500 -0.05290500 0.10421600
In 2.91835000 5.85526000 11.69579000 -0.03712100 -0.01359100 0.02769200
In 11.70093000 5.86035000 2.93456000 0.02890900 0.02786900 -0.22441400
In 5.85526000 2.91835000 11.69579000 -0.01359100 -0.03712100 0.02769200
In 5.86035000 11.70093000 2.93456000 0.02786900 0.02890900 -0.22441400
In 2.92395000 5.84953000 5.85033000 -0.12110600 -0.10746200 -0.12866700
In 5.84953000 2.92395000 5.85033000 -0.10746200 -0.12110600 -0.12866700
In 5.84031000 5.84031000 2.93850000 -0.07568100 -0.07568100 -0.27056400
In 2.94948000 2.94948000 8.77047000 -0.23966500 -0.23966500 -0.26982200
In 2.96595000 8.78023000 2.95569000 -0.40608400 -0.02649900 -0.26684400
In 8.78023000 2.96595000 2.95569000 -0.02649900 -0.40608400 -0.26684400
In 2.93345000 2.93345000 2.91103000 -0.05366400 -0.05366400 -0.15167400
P 8.78064000 8.78064000 10.63344000 0.00373900 0.00373900 0.05043400
P 10.46144000 10.46144000 10.41056000 -0.02489400 -0.02489400 -0.00035100
P 10.32598000 7.23529000 7.10914000 -0.02535500 0.01408500 0.02660300
P 7.23529000 10.32598000 7.10914000 0.01408500 -0.02535500 0.02660300
P 7.09983000 7.09983000 10.41056000 0.01452100 0.01452100 -0.00531100
P 1.47777000 10.24178000 7.27390000 -0.00090900 0.00038000 -0.00352900
P 1.46210000 7.33549000 10.23208000 0.02246500 -0.01142000 -0.00777700
P 10.24178000 1.47777000 7.27390000 0.00038000 -0.00090900 -0.00352900
P 10.25314000 7.30814000 1.45513000 -0.01014000 -0.00511100 -0.01362300
P 7.33549000 1.46210000 10.23208000 -0.01142000 0.02246500 -0.00777700
P 7.30814000 10.25314000 1.45513000 -0.00511100 -0.01014000 -0.01362300
P 10.25460000 10.25460000 4.32877000 -0.09084600 -0.09084600 0.21084000
P 10.22578000 4.39166000 10.23208000 0.06680000 -0.00461200 0.05614000
P 4.39166000 10.22578000 10.23208000 -0.00461200 0.06680000 0.05614000
P 7.30668000 7.30668000 4.32877000 0.08531600 0.08531600 0.19848000
P 7.31950000 4.37599000 7.27390000 0.08308000 0.08485900 0.08625500
P 4.37599000 7.31950000 7.27390000 0.08485900 0.08308000 0.08625500
P 1.49277000 1.49277000 10.23113000 -0.04263200 -0.04263200 -0.00491900
P 1.52261000 10.26243000 1.52144000 -0.03016600 -0.00987400 -0.05858200
P 10.26243000 1.52261000 1.52144000 -0.00987400 -0.03016600 -0.05858200
P 1.50358000 7.30225000 4.33204000 -0.06658700 -0.05503300 0.30037600
P 1.43986000 4.41390000 7.32257000 0.07155400 -0.05889600 0.00152800
P 7.30225000 1.50358000 4.33204000 -0.05503300 -0.06658700 0.30037600
P 4.41390000 1.43986000 7.32257000 -0.05889600 0.07155400 0.00152800
P 7.29885000 4.33115000 1.52144000 -0.17027900 0.20961500 -0.23182400
P 4.33115000 7.29885000 1.52144000 0.20961500 -0.17027900 -0.23182400
P 10.25903000 4.35018000 4.33204000 0.18214100 0.31822000 0.40417200
P 4.35018000 10.25903000 4.33204000 0.31822000 0.18214100 0.40417200
P 4.36099000 4.36099000 10.23113000 0.24744800 0.24744800 0.20581300
P 1.47103000 1.47103000 4.36986000 0.08981600 0.08981600 0.17746200
P 1.45609000 4.39767000 1.45765000 0.02611200 -0.01119100 -0.01599800
P 4.39767000 1.45609000 1.45765000 -0.01119100 0.02611200 -0.01599800
P 4.38272000 4.38272000 4.36986000 -0.02597000 -0.02597000 0.30266000