Triclinic periodic calculation

64 atoms
0.0 10.6918135 xlo xhi
0.0 10.6918135 ylo yhi
0.0 10.6918135 zlo zhi
0.0 0.0 0.0 xy xz yz
1 atom types
 
Atoms
 
1 1 1.16800036147 2.1070625 1.8076035
2 1 2.73995327948 0.383781 1.6819345
3 1 2.9827971826 3.4748875 2.4087685
4 1 4.5129331312 3.0762035 0.6528642
5 1 0.663015851293 0.1889434 4.6107535
6 1 4.3755303149 0.8042952 3.3728025
7 1 3.44984878095 4.4798205 4.4571185
8 1 1.46436017067 0.4223032 6.8435285
9 1 5.29837187931 1.0662005 5.5332725
10 1 1.63338069532 2.8475735 6.4635595
11 1 1.53395240116 5.0773655 5.5728155
12 1 3.50130831276 3.5996135 7.7578475
13 1 4.93586909094 3.3526415 5.8481685
14 1 1.15753848424 2.5132555 10.1291335
15 1 2.18622398529 0.2960209 10.0500635
16 1 3.80530048971 1.4175585 8.7402775
17 1 0.036569893703 3.3497745 8.1031155
18 1 2.86444461635 4.2240855 10.0260635
19 1 1.20592138488 7.5191575 0.4495201
20 1 2.09098058323 5.4350825 1.3546225
21 1 3.94970498636 6.5132805 2.3249515
22 1 4.3388629933 8.4133775 1.0604515
23 1 0.642500599022 5.4467425 3.2998535
24 1 3.40476149937 8.0370435 4.0586475
25 1 1.71859661529 9.4751485 3.0566815
26 1 5.1629115254 9.3393095 3.1300675
27 1 1.71066002713 7.8789175 7.9158145
28 1 4.580622465 7.0578205 5.8929585
29 1 2.95826505038 5.9474755 7.2429025
30 1 0.534180713243 8.9858225 6.0908595
31 1 3.81771582421 10.6261235 6.9125755
32 1 0.087663290896 6.7554575 9.2413725
33 1 2.83297366295 8.6906155 9.8796515
34 1 5.97325576415 1.4934605 1.7648885
35 1 7.67631180718 2.9570985 1.0387225
36 1 6.17647646957 4.7508595 0.8890508
37 1 9.60884206143 5.2731795 -0.00429389
38 1 9.05352670528 0.565288 4.1954595
39 1 9.03930344512 2.7023585 5.1509225
40 1 6.16514864381 4.6952435 3.2077605
41 1 8.36193373431 3.8617695 3.1143055
42 1 10.6663821584 3.2371885 3.5114545
43 1 7.30419566039 2.3243995 7.7963345
44 1 10.1385075679 1.0079125 7.8899595
45 1 7.24667047232 4.0641875 6.1054035
46 1 6.05070580736 0.9913915 9.2673505
47 1 9.82939581597 1.1949985 10.2107335
48 1 6.77436313894 4.5082925 8.4654155
49 1 8.68729752589 3.3067315 9.5336025
50 1 6.52932227469 7.9947605 0.5750025
51 1 9.23132443747 5.9017545 2.2816045
52 1 6.77896513224 10.3541735 0.425886
53 1 10.4864331782 8.7925485 1.8873705
54 1 9.07836602105 9.7723735 0.2206551
55 1 6.36934981912 6.6801755 4.3742585
56 1 9.2598390209 7.8079165 3.7307415
57 1 7.58045749071 9.4991905 3.6778385
58 1 6.84031139477 7.1596575 6.6835965
59 1 8.41949516475 6.1148125 5.3583265
60 1 5.87826567141 9.9598735 7.7446875
61 1 7.33570836414 9.3536375 6.0413285
62 1 9.31179593709 9.5397845 7.3083485
63 1 7.54354720921 6.2443135 10.0159935
64 1 8.91983368356 8.1545785 9.1960885
 
Masses
 
1 28.0855