Triclinic periodic calculation

64 atoms
0.0 10.5568 xlo xhi
0.0 9.41279 ylo yhi
0.0 10.1428 zlo zhi
-5.18164 -0.19777 -0.416057 xy xz yz
1 atom types
 
Atoms
 
1 1 0.170347 0.03958509999999999 -0.319205
2 1 0.22785500000000003 0.13312699999999997 2.4408000000000003
3 1 -0.44431100000000007 -0.236145 5.06773
4 1 -0.019222300000000015 -0.305099 7.837600000000001
5 1 -1.3929800000000003 1.939 0.0124242
6 1 -1.34227 2.19592 2.30102
7 1 -1.2658 2.0044 5.701790000000001
8 1 -1.3147800000000003 1.9872099999999995 7.908810000000001
9 1 -2.6174499999999994 4.5631699999999995 -0.30321100000000006
10 1 -2.6758399999999996 4.41075 2.74274
11 1 -2.94095 4.35732 5.521420000000001
12 1 -2.5904500000000006 4.328 8.31475
13 1 -3.9590800000000006 6.82218 0.6726910000000001
14 1 -3.91652 6.71616 3.0215300000000003
15 1 -4.18768 6.72907 5.09251
16 1 -4.223840000000001 6.664209999999999 7.980110000000001
17 1 2.5797700000000003 -0.0008768109999999999 0.010356200000000001
18 1 2.19289 -0.30101400000000006 2.60846
19 1 2.6091600000000006 -0.20787399999999998 5.20426
20 1 2.8440799999999995 0.10555599999999994 7.675670000000001
21 1 1.1004000000000005 2.2343900000000003 0.2843860000000001
22 1 1.31555 2.18302 2.63662
23 1 1.2622100000000005 2.03515 5.1832
24 1 1.32006 1.98522 7.8874200000000005
25 1 -0.011984400000000357 4.54741 0.6270710000000002
26 1 0.11884399999999959 4.594029999999999 2.71885
27 1 -0.2724340000000004 4.24709 5.10605
28 1 0.1125449999999995 4.318 7.883140000000002
29 1 -1.6058999999999997 6.8528699999999985 -0.0668236
30 1 -1.1865700000000003 6.85496 2.7377900000000004
31 1 -1.48508 6.8235 5.6370700000000005
32 1 -1.34908 6.602619999999999 8.080290000000002
33 1 5.503289999999999 0.23211099999999998 -0.17183600000000002
34 1 5.276500000000001 0.056267300000000006 2.51722
35 1 5.2763300000000015 -0.16460200000000003 5.192350000000001
36 1 5.31964 -0.33134299999999994 7.5002200000000006
37 1 3.73541 2.14247 -0.16795400000000002
38 1 3.9523600000000005 2.19739 2.83858
39 1 4.0036000000000005 2.1143300000000003 5.110900000000001
40 1 4.03554 1.6105899999999997 8.09438
41 1 2.73928 4.64855 -0.2955420000000001
42 1 2.6155700000000004 4.46237 2.94374
43 1 2.75766 4.5643 5.1222
44 1 2.7112700000000003 4.117469999999999 8.3385
45 1 1.3063199999999995 6.85992 0.284588
46 1 1.2728000000000002 6.83667 2.7361500000000003
47 1 1.4017700000000006 6.6926 5.45244
48 1 1.4625699999999993 6.688290000000001 7.72435
49 1 7.94087 0.0028899799999999995 0.031375200000000006
50 1 7.905910000000001 -0.0869976 2.6741600000000005
51 1 7.905429999999999 -0.14174199999999998 5.663660000000001
52 1 7.91265 -0.28677499999999995 7.80284
53 1 6.64658 2.3077 0.34181200000000006
54 1 6.62054 2.32307 2.37553
55 1 6.551629999999999 2.12148 5.038850000000001
56 1 6.66232 2.28584 8.219310000000002
57 1 5.27943 4.449589999999999 0.19491600000000003
58 1 5.1980699999999995 4.41159 2.8947100000000003
59 1 5.32788 4.20402 5.49705
60 1 5.43548 4.11274 8.00614
61 1 4.293240000000001 6.68044 0.40183800000000003
62 1 3.942109999999999 6.78559 2.87363
63 1 3.92348 6.68764 5.26752
64 1 3.92782 6.786570000000001 7.986030000000001
 
Masses
 
1 28.0855