Triclinic periodic calculation

64 atoms
0.0 10.653812 xlo xhi
0.0 10.653812 ylo yhi
0.0 10.653812 zlo zhi
0.0 0.0 0.0 xy xz yz
1 atom types
 
Atoms
 
1 1 3.180696 2.883052 2.210396
2 1 1.9499889999999998 0.5148048000000001 5.073609
3 1 0.1960316 0.2092503 3.5207
4 1 3.726507 1.061643 3.6437240000000006
5 1 0.8157097999999999 3.777474 4.433079
6 1 2.563057 4.854239 3.3886749999999997
7 1 4.563141 1.004897 7.215366
8 1 2.208881 2.7064 5.937311
9 1 0.8889178000000001 3.610379 7.649404999999999
10 1 3.802175 4.357309 5.3476539999999995
11 1 4.070741 5.326056 7.569212000000001
12 1 0.05488959999999999 1.5018049999999998 8.144193
13 1 0.2001664 1.660769 10.436042000000002
14 1 2.406777 2.534311 10.638262
15 1 3.266728 0.8196492000000001 9.283270999999997
16 1 2.589299 4.328638 9.118915000000001
17 1 4.805804000000001 6.239905 1.586761
18 1 2.7520929999999995 7.347408 1.266655
19 1 2.632959 9.681890999999998 1.201071
20 1 4.685426999999999 9.995082 2.3630070000000005
21 1 4.693973 10.143382 -0.03256773
22 1 1.630587 7.055270999999999 3.3192769999999996
23 1 3.007165 7.674286000000001 5.153554
24 1 1.018234 7.238601000000001 6.5598220000000005
25 1 1.919717 8.964642999999999 7.858748
26 1 3.4164859999999995 9.771788999999998 6.251736
27 1 1.8329210000000002 6.360191 10.016222
28 1 3.4427160000000003 7.366390000000001 8.615495
29 1 1.2483940000000002 10.210592 9.860067999999997
30 1 8.698037999999999 0.6846327000000001 0.37684799999999996
31 1 7.673243 3.424225 1.626437
32 1 5.284053 3.8576009999999994 1.7083069999999998
33 1 9.819294999999999 4.523871 1.802069
34 1 5.574299 1.391658 5.055161
35 1 8.636206 2.554788 4.364419
36 1 10.436372 2.450287 2.844555
37 1 5.660764 3.5704969999999996 4.111349
38 1 9.36263 4.706713 4.944606
39 1 9.337477 0.48524599999999996 5.317943999999999
40 1 9.369928999999999 4.418332 7.211122999999999
41 1 6.8315850000000005 0.7961035000000001 7.948351
42 1 6.444545 1.07895 10.211722
43 1 8.566441999999999 2.4242129999999995 8.231551
44 1 7.839797 3.899764 9.968582
45 1 6.217084 4.963594 8.551431999999998
46 1 5.4610259999999995 3.2397789999999995 10.007322
47 1 9.738351 5.338129 10.214232
48 1 7.8307389999999995 5.628432 2.326948
49 1 8.20596 6.887997 0.37884539999999994
50 1 7.82538 9.166974999999999 0.8325483
51 1 5.389998 7.088418000000001 5.057369
52 1 5.745726 7.948956999999998 2.931321
53 1 7.081923 5.379492 4.577819
54 1 7.263172000000001 10.416522 4.454894
55 1 8.024626 8.671983999999998 3.1104789999999998
56 1 10.359812000000002 8.53525 3.5915740000000005
57 1 8.317056999999998 7.538668 6.564252
58 1 6.469674000000001 8.916993999999999 6.068724
59 1 10.089511999999997 8.880486999999999 5.880040999999999
60 1 6.043254 6.529905 10.275872000000001
61 1 9.88446 6.555433 8.080228
62 1 7.607516 9.191923 8.204424999999999
63 1 5.480155 8.465874 9.129171999999999
64 1 9.473483999999997 9.508893999999998 9.772130999999998
 
Masses
 
1 28.0855