Triclinic periodic calculation

64 atoms
0.0 10.7511 xlo xhi
0.0 8.98999 ylo yhi
0.0 10.0731 zlo zhi
-5.54664 -0.388053 -0.11722600000000001 xy xz yz
1 atom types
 
Atoms
 
1 1 -0.16654599999999997 -0.017694399999999996 -0.0891954
2 1 -0.0801454 -0.006871230000000006 2.5670699999999997
3 1 -0.139186 0.0037650499999999807 5.21165
4 1 -0.07792429999999997 0.13365499999999994 8.23057
5 1 -1.4275999999999998 2.272379999999999 -0.0839582
6 1 -1.5903999999999998 2.4488899999999996 2.49939
7 1 -1.3720299999999999 2.443729999999999 5.09418
8 1 -1.4283399999999995 2.0374799999999995 7.707399999999999
9 1 -2.86888 4.319599999999999 -0.0783759
10 1 -2.95266 4.47468 2.6613699999999993
11 1 -2.7669599999999996 4.814509999999999 4.9491
12 1 -2.896469999999999 4.572949999999998 7.65896
13 1 -4.171869999999999 6.750429999999999 -0.0184919
14 1 -4.262999999999999 6.731969999999999 2.57204
15 1 -4.323699999999999 6.7532999999999985 5.11108
16 1 -4.097129999999999 6.787789999999999 7.845359999999999
17 1 2.6008499999999994 0.0434026 0.544478
18 1 2.5572899999999996 0.11016699999999999 2.6674200000000003
19 1 2.52133 0.026905699999999973 5.74083
20 1 2.47204 0.302688 8.06951
21 1 1.2745099999999998 2.30791 0.133273
22 1 1.1104799999999997 2.19455 2.64609
23 1 0.9140669999999997 2.34107 5.207099999999999
24 1 1.0499599999999998 2.65497 7.65514
25 1 -0.1054559999999996 4.63483 -0.0897397
26 1 -0.43574799999999986 4.265469999999999 2.6907199999999993
27 1 -0.45662299999999945 4.234229999999999 5.37017
28 1 -0.434687999999999 4.779749999999999 7.89267
29 1 -1.7236799999999999 7.0927999999999995 0.16869799999999996
30 1 -1.6162499999999993 6.812599999999998 2.96357
31 1 -1.6270599999999993 6.675329999999998 5.62778
32 1 -1.9884899999999999 7.047399999999999 7.948559999999999
33 1 5.36331 0.15067899999999998 0.017012399999999997
34 1 5.058349999999999 -0.18762 2.5787599999999995
35 1 5.11868 0.15558099999999994 5.385509999999999
36 1 5.119449999999999 0.18031599999999995 7.87744
37 1 3.4622199999999994 2.4885499999999996 0.087702
38 1 3.836869999999999 2.3982000000000006 2.48518
39 1 3.4831400000000006 2.66269 5.14157
40 1 3.6050300000000006 2.4458599999999997 8.03153
41 1 2.507040000000001 4.650659999999999 -0.254655
42 1 2.69693 4.57759 2.6154499999999996
43 1 2.3462900000000007 4.65143 5.356749999999999
44 1 2.0352500000000004 4.781959999999999 7.5446599999999995
45 1 0.9939709999999992 6.961479999999998 -0.14961099999999997
46 1 1.0447999999999995 6.93212 2.87759
47 1 0.9624809999999996 6.886309999999999 5.21805
48 1 0.8004159999999992 6.53349 7.92678
49 1 7.664269999999999 0.44708500000000007 0.37531699999999996
50 1 7.807419999999998 0.20903799999999997 2.8303099999999994
51 1 7.59486 0.0906671 5.5093499999999995
52 1 7.65951 0.272012 8.526129999999998
53 1 6.50408 2.5304499999999996 0.700283
54 1 6.464089999999999 2.49648 3.1932
55 1 6.41771 2.46292 5.4027
56 1 6.34526 2.4910599999999996 7.770649999999999
57 1 5.376379999999999 4.73646 0.51975
58 1 5.056729999999998 4.72759 2.60401
59 1 5.043620000000001 4.68387 5.39048
60 1 4.72881 4.779879999999999 7.8303899999999995
61 1 3.779240000000001 6.93132 0.307909
62 1 3.818330000000001 6.815989999999998 3.16615
63 1 3.6038499999999996 6.9713899999999995 5.46765
64 1 3.5988100000000007 6.9444 7.906009999999999
 
Masses
 
1 28.0855