fccbox_v02_input.data

Data File created by fcc_box_v02.py

1237 atoms
2 atom types

-0.17677669529663687 13.823223304703363 xlo xhi
-0.10206207261596577 12.022293580366178 ylo yhi
-4.4907311951024935 1.8177570093457944 zlo zhi

Masses

1 1.0
2 1.9202965708989803

Pair Coeffs

1 1 1.0 1.122462048309373
2 2 1.0 1.360242170692667

Atoms

1 1 0.0 0.0 0.0
2 1 0.0 1.7320508075688774 0.0
3 1 0.0 3.464101615137755 0.0
4 1 0.0 5.196152422706632 0.0
5 1 0.0 6.92820323027551 0.0
6 1 0.0 8.660254037844387 0.0
7 1 0.0 10.392304845413264 0.0
8 1 1.0 0.0 0.0
9 1 1.0 1.7320508075688774 0.0
10 1 1.0 3.464101615137755 0.0
11 1 1.0 5.196152422706632 0.0
12 1 1.0 6.92820323027551 0.0
13 1 1.0 8.660254037844387 0.0
14 1 1.0 10.392304845413264 0.0
15 1 2.0 0.0 0.0
16 1 2.0 1.7320508075688774 0.0
17 1 2.0 3.464101615137755 0.0
18 1 2.0 5.196152422706632 0.0
19 1 2.0 6.92820323027551 0.0
20 1 2.0 8.660254037844387 0.0
21 1 2.0 10.392304845413264 0.0
22 1 3.0 0.0 0.0
23 1 3.0 1.7320508075688774 0.0
24 1 3.0 3.464101615137755 0.0
25 1 3.0 5.196152422706632 0.0
26 1 3.0 6.92820323027551 0.0
27 1 3.0 8.660254037844387 0.0
28 1 3.0 10.392304845413264 0.0
29 1 4.0 0.0 0.0
30 1 4.0 1.7320508075688774 0.0
31 1 4.0 3.464101615137755 0.0
32 1 4.0 5.196152422706632 0.0
33 1 4.0 6.92820323027551 0.0
34 1 4.0 8.660254037844387 0.0
35 1 4.0 10.392304845413264 0.0
36 1 5.0 0.0 0.0
37 1 5.0 1.7320508075688774 0.0
38 1 5.0 3.464101615137755 0.0
39 1 5.0 5.196152422706632 0.0
40 1 5.0 6.92820323027551 0.0
41 1 5.0 8.660254037844387 0.0
42 1 5.0 10.392304845413264 0.0
43 1 6.0 0.0 0.0
44 1 6.0 1.7320508075688774 0.0
45 1 6.0 3.464101615137755 0.0
46 1 6.0 5.196152422706632 0.0
47 1 6.0 6.92820323027551 0.0
48 1 6.0 8.660254037844387 0.0
49 1 6.0 10.392304845413264 0.0
50 1 7.0 0.0 0.0
51 1 7.0 1.7320508075688774 0.0
52 1 7.0 3.464101615137755 0.0
53 1 7.0 5.196152422706632 0.0
54 1 7.0 6.92820323027551 0.0
55 1 7.0 8.660254037844387 0.0
56 1 7.0 10.392304845413264 0.0
57 1 8.0 0.0 0.0
58 1 8.0 1.7320508075688774 0.0
59 1 8.0 3.464101615137755 0.0
60 1 8.0 5.196152422706632 0.0
61 1 8.0 6.92820323027551 0.0
62 1 8.0 8.660254037844387 0.0
63 1 8.0 10.392304845413264 0.0
64 1 9.0 0.0 0.0
65 1 9.0 1.7320508075688774 0.0
66 1 9.0 3.464101615137755 0.0
67 1 9.0 5.196152422706632 0.0
68 1 9.0 6.92820323027551 0.0
69 1 9.0 8.660254037844387 0.0
70 1 9.0 10.392304845413264 0.0
71 1 10.0 0.0 0.0
72 1 10.0 1.7320508075688774 0.0
73 1 10.0 3.464101615137755 0.0
74 1 10.0 5.196152422706632 0.0
75 1 10.0 6.92820323027551 0.0
76 1 10.0 8.660254037844387 0.0
77 1 10.0 10.392304845413264 0.0
78 1 11.0 0.0 0.0
79 1 11.0 1.7320508075688774 0.0
80 1 11.0 3.464101615137755 0.0
81 1 11.0 5.196152422706632 0.0
82 1 11.0 6.92820323027551 0.0
83 1 11.0 8.660254037844387 0.0
84 1 11.0 10.392304845413264 0.0
85 1 12.0 0.0 0.0
86 1 12.0 1.7320508075688774 0.0
87 1 12.0 3.464101615137755 0.0
88 1 12.0 5.196152422706632 0.0
89 1 12.0 6.92820323027551 0.0
90 1 12.0 8.660254037844387 0.0
91 1 12.0 10.392304845413264 0.0
92 1 13.0 0.0 0.0
93 1 13.0 1.7320508075688774 0.0
94 1 13.0 3.464101615137755 0.0
95 1 13.0 5.196152422706632 0.0
96 1 13.0 6.92820323027551 0.0
97 1 13.0 8.660254037844387 0.0
98 1 13.0 10.392304845413264 0.0
99 1 0.5 0.8660254037844386 0.0
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103 1 0.5 7.794228634059948 0.0
104 1 0.5 9.526279441628827 0.0
105 1 0.5 11.258330249197703 0.0
106 1 1.5 0.8660254037844386 0.0
107 1 1.5 2.598076211353316 0.0
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109 1 1.5 6.06217782649107 0.0
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