Triclinic periodic calculation

64 atoms
0.0 10.6893572 xlo xhi
0.0 10.6893572 ylo yhi
0.0 10.6893572 zlo zhi
0.0 0.0 0.0 xy xz yz
1 atom types
 
Atoms
 
1 1 1.8041072 1.4525752 1.7389132
2 1 3.7755692 1.8618252000000004 0.43017880000000003
3 1 0.9716442000000002 3.3492292 0.5609447000000002
4 1 4.8887712 3.0125812 2.1375262000000004
5 1 2.0887912 2.4729812000000004 3.9494921999999995
6 1 3.8175632000000004 0.8939750000000001 4.047542200000001
7 1 1.4260132000000003 4.819745200000001 3.8843002000000006
8 1 0.19708680000000003 3.1542512000000005 5.271383200000001
9 1 3.8322832 4.9168412 3.1384452
10 1 0.5072257 0.6030915000000002 7.740278200000002
11 1 3.4619432000000003 2.1655272 5.961065200000001
12 1 1.7706442000000004 3.4129932000000003 6.990520200000001
13 1 4.776700200000002 4.0794522 5.3646262
14 1 5.306091200000001 4.3723092 7.813006200000001
15 1 3.2271512000000007 5.2146662 6.8869432
16 1 0.3003482 2.8906862 8.902814200000002
17 1 4.1118032000000015 3.9278842000000003 9.8794332
18 1 2.8180662 6.399420200000002 1.5210082000000003
19 1 5.0157792 6.885407200000001 0.9178782000000002
20 1 1.4816102000000002 9.853015200000002 2.4661042000000006
21 1 3.5835682000000006 8.7216672 1.7555872
22 1 4.654460200000001 10.3208372 0.1727738
23 1 2.3886272 6.5818002 5.192646200000001
24 1 1.0191762 10.3174072 4.732830200000001
25 1 4.6830752 8.5656002 3.9085102000000007
26 1 1.3708222 8.4330822 6.121260200000001
27 1 3.2247712000000006 9.7333242 5.359230200000002
28 1 2.5457862 5.7137672 9.951607200000002
29 1 0.2455317 5.407142200000001 8.9415582
30 1 4.119278200000001 7.3673822000000015 9.478289199999999
31 1 0.42701720000000004 8.5484122 9.5131332
32 1 2.4768632 8.623639200000001 8.262002200000001
33 1 1.7300662000000002 10.5697672 9.6545052
34 1 3.9984602000000002 10.4269472 8.5769622
35 1 6.627394200000001 1.3565192 2.1015402
36 1 10.675867200000003 1.2885102 0.1134848
37 1 7.1824082 5.1748782 2.6562912
38 1 5.870562200000001 4.605875200000002 0.7083980000000002
39 1 9.1265392 4.104731200000001 1.9863282
40 1 8.154285199999999 0.43284540000000005 4.825086200000001
41 1 8.538084200000002 2.1092032 3.2154162
42 1 7.142480200000001 3.6073522000000002 4.4727572
43 1 9.5267522 1.5587132000000001 6.405124200000001
44 1 6.541602200000001 2.6696412 6.642310200000001
45 1 9.060151200000002 4.628064200000001 5.5034442000000015
46 1 8.4815412 1.1342382 9.7559872
47 1 8.5773832 2.8571062000000005 8.1014692
48 1 10.5234572 7.600282200000002 0.9154392000000001
49 1 9.497216199999999 5.5870872 0.1445513
50 1 8.306685199999999 7.605686200000001 0.014637300000000011
51 1 7.581190200000001 8.8173412 1.9196902000000002
52 1 6.991922200000001 10.500117200000002 0.38018740000000006
53 1 9.8117512 9.5914512 1.9956702
54 1 9.8841892 5.6316932 3.543887200000001
55 1 8.284031200000001 7.6926472000000015 5.339167200000001
56 1 6.447367200000001 10.1493572 3.5051112
57 1 9.6063522 9.367583199999999 4.311788200000001
58 1 5.7990532 6.737039200000001 7.918083200000002
59 1 5.900346200000001 7.289022200000002 5.5450152
60 1 9.732929200000001 6.4126622000000015 6.911007200000001
61 1 5.649537200000001 9.013031199999999 7.223780200000001
62 1 7.957818200000001 9.0495722 7.2052252
63 1 8.061006200000001 7.062605200000001 8.425613199999999
64 1 9.4647672 10.0003172 8.666889200000002
 
Masses
 
1 28.0855