Triclinic periodic calculation

64 atoms
0.0 10.8883 xlo xhi
0.0 9.25118 ylo yhi
0.0 10.0599 zlo zhi
-5.08893 0.000292429 -0.0106915 xy xz yz
1 atom types
 
Atoms
 
1 1 0.016554599999999996 0.0046381 0.128623
2 1 -0.0234788 -0.0452155 2.5454800000000004
3 1 -0.00488727 -0.0046248 5.13702
4 1 -0.04473340000000001 -0.306647 7.45196
5 1 -1.2630600000000003 2.30575 0.363968
6 1 -1.3920800000000002 2.33654 2.5262999999999995
7 1 -1.17537 2.25364 4.90735
8 1 -1.4606200000000005 2.4080300000000006 7.6638
9 1 -2.65707 4.84171 -0.172878
10 1 -2.69521 4.914009999999999 2.7391099999999997
11 1 -2.7156200000000013 4.805840000000001 5.08926
12 1 -2.41811 4.759600000000001 7.570709999999999
13 1 -3.7869200000000003 6.962690000000001 -0.124184
14 1 -3.67368 6.798209999999999 2.28555
15 1 -3.6338399999999997 6.778719999999999 5.17021
16 1 -3.9087400000000008 6.889340000000001 7.63294
17 1 2.229080000000001 0.07672410000000003 0.0508547
18 1 2.66227 -0.030376600000000004 2.20661
19 1 2.68937 -0.14877 5.17388
20 1 2.6931099999999994 0.14126600000000003 7.96758
21 1 1.4830100000000002 2.08354 -0.37777399999999994
22 1 1.28213 2.1725 2.6238200000000003
23 1 1.2212599999999998 2.2261800000000003 5.08282
24 1 1.2193600000000002 2.44469 7.82317
25 1 0.11388600000000011 4.55562 -0.179321
26 1 0.08100820000000007 4.45019 2.6630999999999996
27 1 0.17980100000000035 4.814049999999999 5.52672
28 1 0.0944039999999999 4.565080000000001 7.946840000000001
29 1 -1.1856400000000007 6.749280000000001 0.170597
30 1 -1.0924600000000009 6.8959600000000005 2.51272
31 1 -1.0353900000000003 6.71682 5.11403
32 1 -1.2023800000000002 6.93517 7.660339999999999
33 1 5.602109999999998 -0.06121360000000001 0.339346
34 1 5.09974 -0.103113 2.43936
35 1 5.14881 -0.0708218 5.59289
36 1 5.383920000000001 -0.436684 7.94408
37 1 4.14454 2.22131 0.192156
38 1 4.3364 2.25585 2.61036
39 1 4.00854 2.3114900000000005 4.79378
40 1 4.15702 2.19838 8.05353
41 1 2.5392199999999994 4.31267 -0.130544
42 1 2.700289999999999 4.5149300000000006 2.3598999999999997
43 1 2.72561 4.393580000000001 4.819889999999999
44 1 2.3496699999999993 4.567260000000001 7.95271
45 1 1.3693899999999999 6.77949 0.133615
46 1 1.51397 6.809180000000001 2.22211
47 1 1.6183799999999984 7.057310000000001 5.27317
48 1 1.4023599999999998 6.747119999999999 8.09255
49 1 7.864120000000001 -0.18199499999999996 -0.31195
50 1 7.87067 -0.599447 2.5496099999999995
51 1 7.765060000000001 -0.0197608 5.58805
52 1 7.796420000000002 0.028380400000000004 7.680339999999999
53 1 6.643110000000001 2.1602299999999994 0.0035492299999999996
54 1 6.431 1.94137 2.84412
55 1 6.703559999999999 2.0474100000000006 5.160800000000001
56 1 6.740679999999999 1.7682500000000003 7.94802
57 1 5.378609999999999 4.505060000000001 -0.38415699999999997
58 1 5.1852599999999995 4.8805 2.50278
59 1 5.358779999999999 4.631890000000001 5.440520000000001
60 1 5.37541 4.435970000000001 7.87672
61 1 4.139789999999999 6.76291 -0.435976
62 1 3.98975 6.690939999999999 2.61181
63 1 4.382819999999999 6.87505 5.199859999999999
64 1 3.92995 7.041049999999999 8.086329999999998
 
Masses
 
1 28.0855