Triclinic periodic calculation

64 atoms
0.0 10.5393 xlo xhi
0.0 9.05087 ylo yhi
0.0 10.5272 zlo zhi
-5.43887 -0.143218 -0.11479400000000001 xy xz yz
1 atom types
 
Atoms
 
1 1 0.04941250000000001 -0.132091 -0.111737
2 1 -0.184353 0.004309839999999997 2.18102
3 1 -0.11481999999999996 0.38029399999999997 5.257819999999999
4 1 -0.244788 0.01401519999999999 7.752049999999999
5 1 -1.3400899999999998 2.25547 0.00920874
6 1 -1.26592 1.82964 2.63403
7 1 -1.6022 2.11686 4.86106
8 1 -1.66796 2.19179 8.11251
9 1 -2.4686 4.65495 -0.00398125
10 1 -2.7623700000000007 4.737899999999999 2.14805
11 1 -2.4856300000000005 4.61278 5.504779999999999
12 1 -2.70397 4.514799999999999 8.08626
13 1 -3.9841200000000008 6.862210000000001 -0.0428531
14 1 -3.963309999999999 6.851939999999999 2.7730899999999994
15 1 -4.2696000000000005 6.9471 5.5551900000000005
16 1 -4.052630000000001 6.798820000000001 8.03872
17 1 2.63278 -0.0182738 -0.0925887
18 1 2.8623100000000004 -0.232189 2.37567
19 1 2.4736900000000004 0.049803999999999994 5.46796
20 1 2.47607 0.0805706 8.10722
21 1 1.18343 2.27877 -0.35760699999999995
22 1 0.9541500000000003 1.9747899999999998 2.6391300000000006
23 1 0.8386579999999997 2.26204 5.11571
24 1 1.1633900000000001 2.2786999999999997 7.757810000000001
25 1 0.008063540000000315 4.51638 -0.0238729
26 1 0.1400160000000001 4.434029999999999 2.84088
27 1 0.04080119999999997 4.367289999999999 5.1889199999999995
28 1 -0.25209700000000057 4.53274 7.855049999999999
29 1 -1.3368000000000009 6.84839 0.006185349999999999
30 1 -1.3651700000000002 6.606969999999999 2.65842
31 1 -1.6243899999999998 6.5698099999999995 5.42544
32 1 -1.4276500000000005 6.93185 7.96007
33 1 5.27133 -0.04179419999999999 0.548974
34 1 5.198229999999999 -0.120697 2.85717
35 1 5.161910000000001 0.008476309999999989 5.301829999999999
36 1 5.134790000000001 -0.021246900000000003 8.31225
37 1 3.6922399999999995 2.5513099999999995 0.051838
38 1 4.035760000000001 2.1284599999999996 2.49134
39 1 3.8690400000000005 2.26035 5.23367
40 1 3.71411 2.63676 8.09455
41 1 2.5580899999999995 4.50055 0.36649
42 1 2.6531100000000007 4.49618 2.73582
43 1 2.6615699999999998 4.48586 5.40926
44 1 2.52374 4.61279 7.85315
45 1 1.0318099999999997 6.80245 -0.22496600000000003
46 1 1.0954199999999996 6.799479999999999 2.63897
47 1 1.2676800000000004 6.900229999999999 5.34121
48 1 1.1981399999999998 6.81094 7.63642
49 1 7.894690000000001 -0.027893400000000002 0.33722100000000005
50 1 7.902110000000001 0.02172819999999999 2.6544399999999997
51 1 7.9669500000000015 0.20596199999999998 5.37915
52 1 7.723140000000001 -2.684160000001752e-05 7.90902
53 1 6.65304 2.2070499999999997 0.6296899999999999
54 1 6.29274 2.1576 3.08819
55 1 6.49406 2.29964 5.35531
56 1 6.706520000000001 2.22379 8.00048
57 1 5.2523599999999995 4.63023 0.1322
58 1 5.223049999999999 4.626250000000001 2.83966
59 1 5.1632 4.60289 5.34535
60 1 5.2165099999999995 4.836509999999999 7.70287
61 1 3.80398 6.65708 0.438012
62 1 3.6543199999999993 7.192699999999999 2.9594599999999995
63 1 3.6680100000000007 6.954989999999999 5.4583
64 1 3.732460000000001 6.78356 8.0622
 
Masses
 
1 28.0855