Triclinic periodic calculation

64 atoms
0.0 10.6945724 xlo xhi
0.0 10.6945724 ylo yhi
0.0 10.6945724 zlo zhi
0.0 0.0 0.0 xy xz yz
1 atom types
 
Atoms
 
1 1 4.37986716151 0.8229497 1.2200584000000003
2 1 0.8710906333270001 3.3472754 2.5123054000000002
3 1 1.36400381061 2.8929394000000004 0.26354410000000006
4 1 4.242087945570002 5.153213400000001 0.5688467
5 1 4.583748451110001 3.1138344 1.7270944000000001
6 1 2.6803857892 1.0081904 4.4560764000000015
7 1 2.9886468741000005 3.1200254 3.4817754
8 1 4.858544381460002 1.2919524000000002 5.352619400000001
9 1 0.6499876527670001 3.4900974000000002 7.384421400000002
10 1 1.9498448948400005 4.0096234000000015 5.4453914
11 1 3.89640567625 3.9568204000000002 6.791961400000001
12 1 2.96513119472 1.3005314000000001 10.0992224
13 1 3.0614178237700003 0.1844851 8.072203400000001
14 1 2.0856929475500006 5.0395424 10.2774924
15 1 3.9906408905900004 2.8985104000000006 8.853548400000003
16 1 0.860142434207 6.286417400000001 1.2173184
17 1 4.53696399989 7.182718400000002 1.7461654000000002
18 1 0.9949331361500001 8.548064400000003 0.3039335000000001
19 1 1.2616214606200002 10.5213224 1.5264784000000002
20 1 1.5824024485300001 6.3016234 5.035657400000001
21 1 4.592299440040001 6.2307434000000015 3.9663784
22 1 1.8325562972100002 9.458881400000001 4.748924400000002
23 1 5.15348595726 8.3626124 4.906501400000001
24 1 3.1465402768 10.1169824 2.7894934000000005
25 1 0.25256169719300003 6.849596400000001 6.9865224
26 1 4.300179415000001 6.129607400000001 7.572045400000001
27 1 0.426356285132 9.049028400000001 7.906697400000002
28 1 0.214191176268 10.5545924 6.134507400000001
29 1 4.76337551677 10.035432400000001 6.627594400000001
30 1 0.23001249626400003 5.323137400000001 8.805198400000002
31 1 2.4504367189300003 8.810713400000003 9.1103944
32 1 4.42199699156 8.167330400000003 10.2665024
33 1 6.811510441070001 3.5113464 2.3926344000000004
34 1 9.199742877490003 3.0760704 2.2442454000000005
35 1 6.692700069800002 1.7513584000000002 3.9186074000000004
36 1 10.432706234200001 1.4580904000000001 3.4213294
37 1 6.413635072040001 2.0192744000000005 7.062634400000001
38 1 9.800853335400001 1.7241974000000002 7.0643364
39 1 8.20257562462 2.5669464000000004 5.5673694000000005
40 1 7.533445676980001 4.174795400000002 7.163098400000002
41 1 5.78637312828 5.0371934 5.7692174000000005
42 1 10.3731160862 4.9139414000000015 5.599737400000001
43 1 7.6207506582 1.8982364000000003 10.4419024
44 1 8.691019306780003 0.610769 8.808194400000001
45 1 6.3024465363400015 3.3145944000000003 9.081090400000003
46 1 9.704728224260002 3.0182724 10.6504224
47 1 6.8658418808200015 7.287835400000002 1.9961204000000001
48 1 6.497696601930001 10.6992224 0.5676766000000001
49 1 9.781182945530002 10.2925124 2.1933554000000006
50 1 6.83373813049 5.532843400000002 3.5908464000000007
51 1 10.535090902000002 6.2378124 3.451193400000001
52 1 7.26016184743 8.6703154 3.9140054000000006
53 1 7.499075397100001 10.619872400000002 2.6938484
54 1 10.552125089900002 8.610451400000002 3.6633014000000004
55 1 6.19023623027 7.202099400000001 6.653628400000002
56 1 8.592656121940001 7.282323400000001 6.7826024
57 1 6.97685771248 10.4330324 7.414711400000001
58 1 9.07984220812 9.1630284 5.408842400000001
59 1 7.532808289730001 6.3452744 10.605792400000002
60 1 5.647349866460001 5.5484464 9.430462400000001
61 1 8.16766046124 7.962225400000002 9.049068400000001
62 1 9.661447012020002 5.366831400000001 10.790622400000002
63 1 6.258374784570002 9.320837400000002 9.359385400000003
64 1 9.801871172290003 9.437632400000002 9.803732400000001
 
Masses
 
1 28.0855