Triclinic periodic calculation

64 atoms
0.0 10.7458163 xlo xhi
0.0 10.7458163 ylo yhi
0.0 10.7458163 zlo zhi
0.0 0.0 0.0 xy xz yz
1 atom types
 
Atoms
 
1 1 3.63039228442 2.6485433 2.3817393
2 1 4.698451436399999 2.0602883 0.3632915
3 1 0.10428263251999999 3.7024723 0.6365344000000001
4 1 2.2649721410400003 4.3373503 1.3896072999999998
5 1 0.432178958826 0.34673469999999995 4.1902713
6 1 2.34943552441 0.7078505 2.8475953
7 1 1.9448100639999997 3.0032843 5.1249333
8 1 0.14166964785 3.8126313000000005 3.8562603
9 1 3.53047778706 4.3272873 3.9955753000000005
10 1 5.292828189439999 3.4576103 5.201192299999999
11 1 1.44399030003 0.9382018 6.229993299999999
12 1 4.85691426034 0.9936422999999999 7.8140553
13 1 3.6134583696799996 0.0430865 6.0798273
14 1 1.72064122524 4.6080453 6.8217153
15 1 5.187500245079999 5.200839299999999 6.7618483
16 1 0.9362983716900001 0.9676872999999999 8.6200563
17 1 2.74943117208 0.9728223 10.2159763
18 1 5.36765395045 3.7555163 9.5952353
19 1 3.5276875148399998 4.5544333 8.3320783
20 1 2.11157193762 7.870365299999999 2.0705083
21 1 3.39853456462 6.3443863 0.7409701000000001
22 1 2.0164285452199997 10.0669763 1.0022873
23 1 1.0369110830299997 5.7863633 2.8237423
24 1 0.594501663127 8.8077483 3.7058963
25 1 4.21693933299 10.4111663 3.8279043000000006
26 1 3.9211573806299995 8.097474299999998 3.6241042999999995
27 1 1.9989736821899997 6.9541823 6.866130299999999
28 1 0.053999851252 7.5134603 5.6338943
29 1 5.15988426156 7.2518153 5.474779299999999
30 1 3.73582100213 8.552062300000001 6.7599573
31 1 0.540970309666 7.017661299999999 8.803051300000002
32 1 2.89973847863 6.6789703 9.174192300000001
33 1 4.89646859585 7.9527013 8.7021203
34 1 4.30583526728 10.1130463 9.477583300000001
35 1 7.841683120809999 2.6966873 2.2543023
36 1 6.028868495149999 0.10489299999999999 0.21175309999999997
37 1 10.1285674978 2.3011742999999996 2.3009652999999997
38 1 8.066494867480001 5.1844903 1.9420572999999999
39 1 7.73801655118 1.0806073 4.0161663
40 1 7.150075266259999 4.2086723 3.9459892999999995
41 1 9.019207111910001 3.8868193 5.2787383
42 1 6.4469581502099995 1.5118583 6.0015583
43 1 8.38036936764 2.4231813 7.013414300000001
44 1 7.06999671548 4.2413483 7.9547283
45 1 10.4469038569 5.0246153 7.896002300000001
46 1 7.89557313072 0.439383 9.472140300000001
47 1 8.365633612100002 2.7359462999999997 9.3626413
48 1 10.6689504885 3.0376633 9.145142300000003
49 1 5.90675851139 8.096836300000001 2.4096163
50 1 6.3948298781 5.3712862999999995 0.2308239
51 1 5.40521207524 7.4696243 0.22585589999999997
52 1 10.1873685741 5.882821299999999 1.1240492999999998
53 1 6.330628388429999 10.4216663 2.6369272999999995
54 1 9.570826217150001 8.518025300000001 2.1835613
55 1 10.4445247054 10.4368063 1.0591543
56 1 7.88842304849 7.2200513 3.2928043
57 1 8.247550902310001 9.489265300000001 4.0459903
58 1 8.13043379956 7.5664853 7.691683299999999
59 1 9.10033604674 6.0173143 6.2341493
60 1 6.96691004229 8.6919243 5.9605783
61 1 6.784462603189999 10.4535363 7.5206113
62 1 10.177649946199999 8.7066633 7.5881043
63 1 7.981005237049999 5.9216803 9.3765653
64 1 10.0615685932 10.1980863 9.479536300000001
 
Masses
 
1 28.0855