Triclinic periodic calculation

64 atoms
0.0 10.7433999 xlo xhi
0.0 10.7433999 ylo yhi
0.0 10.7433999 zlo zhi
0.0 0.0 0.0 xy xz yz
1 atom types
 
Atoms
 
1 1 2.7729719 1.9969118999999997 1.3471949
2 1 3.4444549 4.108199900000001 2.3119239
3 1 5.0762949 4.7134529 0.6245500999999999
4 1 2.2125089 2.5748289 5.1133239
5 1 1.0446889 0.9121603999999999 3.7832589000000003
6 1 3.5478219 1.4077169 6.6765029
7 1 0.1433706 3.3185439000000003 5.953228899999999
8 1 2.9122508999999996 4.848775900000001 5.673910899999999
9 1 4.2125189 5.094317899999999 7.685023899999999
10 1 2.4944709 1.7080078999999997 8.8528579
11 1 0.9651409 1.4588388999999997 10.6910099
12 1 4.2311379 2.5648719 10.3749599
13 1 1.1554879 5.1395839 10.5859799
14 1 2.8193769 4.0515169 9.253359900000001
15 1 1.4900869 7.389897900000001 0.6845395000000001
16 1 3.7683969 6.783521899999999 0.6015337000000001
17 1 1.5270309 9.833938899999998 0.3022891
18 1 3.3569378999999997 10.4284399 1.6152109
19 1 4.8116119 8.5489429 1.7208929
20 1 1.4715699 7.344532900000001 3.0327359
21 1 3.3613328999999994 6.055380899999999 3.6836278999999994
22 1 2.1006099 9.5918569 3.4377878999999996
23 1 0.6920094 5.5735989 6.0702189
24 1 5.0507178999999995 7.718003899999999 6.0898899
25 1 2.7005229 8.0018979 6.1190599
26 1 0.9269936000000001 9.3664049 5.4747779
27 1 4.0233878999999995 9.9191729 5.9104979
28 1 2.0277999 7.735941899999999 8.3204109
29 1 0.37096599999999996 5.8863599 8.4368129
30 1 4.1426719 7.0846459 9.0576049
31 1 2.4153438999999994 10.0016199 8.8948279
32 1 4.6815259 9.377988899999998 8.996272900000001
33 1 6.5723009 1.4427769000000001 1.9320619
34 1 8.8923929 1.8357549000000002 1.6829309
35 1 5.7042889 3.5773439 2.6315819
36 1 10.5046499 3.3923329 0.7632844000000001
37 1 9.4341159 0.5809774 3.6114269
38 1 6.426623899999999 5.2594649 4.0955299
39 1 8.980920900000001 2.7069538999999994 4.7398489
40 1 5.4260729 2.4266068999999995 5.5907789
41 1 6.8357889 0.5630398 5.6872839
42 1 9.1094269 0.6954044 5.9702899
43 1 8.8448639 1.9092059 7.9576719
44 1 7.257223900000001 3.9299259 5.883400900000001
45 1 5.8361549 3.3592498999999996 7.726772899999999
46 1 6.734257899999999 0.5312711999999999 10.5220099
47 1 7.2749319 2.6230809 9.5052749
48 1 10.616179899999999 3.4071238999999998 8.2529239
49 1 8.559718899999998 4.3472879 10.4893399
50 1 8.9065789 5.0921349 8.3128999
51 1 7.2095858999999995 6.003993899999999 0.7262439
52 1 8.901741900000001 10.619779900000001 0.4203008
53 1 5.3841299 7.413511899999999 3.7855189
54 1 8.221917900000001 6.032695899999999 2.8369929
55 1 10.5912499 7.4028229 4.781726900000001
56 1 7.6696679 8.1732539 3.7116738999999996
57 1 7.166051899999999 10.5108299 3.5127149
58 1 6.034706900000001 9.5744799 7.089290899999999
59 1 9.6984259 8.610999900000001 8.0041559
60 1 8.690546900000001 8.286666899999998 5.8725139
61 1 7.8631769 7.230091900000001 8.3655779
62 1 8.2891279 7.8469369 10.5282099
63 1 6.2462669 8.9743659 10.6799299
64 1 9.717841899999998 10.7502399 8.992828900000001
 
Masses
 
1 28.0855