Triclinic periodic calculation

64 atoms
0.0 10.3266 xlo xhi
0.0 9.07163 ylo yhi
0.0 10.0183 zlo zhi
-5.46418 -0.100466 -0.019929800000000004 xy xz yz
1 atom types
 
Atoms
 
1 1 0.07795129999999996 0.18938500000000003 0.181226
2 1 -0.0571419 0.0184695 2.66513
3 1 -0.09265149999999998 -0.043112199999999996 4.80401
4 1 -0.123731 0.006854279999999998 7.757489999999999
5 1 -1.38977 2.19543 -0.36593200000000004
6 1 -1.3734900000000003 2.2720300000000004 2.59697
7 1 -1.40342 2.26383 5.12911
8 1 -1.50591 2.32681 7.79007
9 1 -2.45126 4.36314 -0.23005800000000004
10 1 -2.6214700000000004 4.445320000000001 2.61212
11 1 -2.7461700000000007 4.5467200000000005 5.26836
12 1 -2.7987700000000006 4.62104 7.939429999999999
13 1 -4.02377 6.8603499999999995 -0.35710600000000003
14 1 -4.026559999999999 6.82079 2.7766000000000006
15 1 -3.877250000000001 6.73954 4.85516
16 1 -4.01886 6.73891 7.59605
17 1 2.66218 0.0031472999999999996 -0.247979
18 1 2.55392 0.0719378 2.77134
19 1 2.6743500000000004 0.0955452 4.89714
20 1 2.40711 -0.040842500000000004 8.0857
21 1 1.13065 2.19353 0.162515
22 1 1.27678 2.01757 2.50584
23 1 1.1471499999999997 1.9044599999999998 5.42692
24 1 1.2151999999999998 2.2442900000000003 7.78517
25 1 -0.11408200000000011 4.52362 0.0212361
26 1 -0.08150589999999978 4.57243 2.68469
27 1 -0.10977200000000065 4.571760000000001 5.23031
28 1 -0.2756370000000005 4.54323 7.422470000000001
29 1 -1.4958599999999997 6.896110000000001 -0.00662913
30 1 -1.5072899999999996 6.78556 2.77017
31 1 -1.1253000000000006 6.61949 4.99733
32 1 -1.6791800000000001 6.7994 7.98521
33 1 5.33202 0.007788089999999999 0.17151900000000003
34 1 4.904469999999999 -0.19488100000000003 2.90291
35 1 5.46164 0.34280900000000003 5.27141
36 1 5.28219 0.192856 7.80647
37 1 3.892199999999999 1.96262 -0.0655306
38 1 3.84639 2.27134 2.66975
39 1 3.922870000000001 2.5935699999999997 5.05067
40 1 3.8326100000000003 2.33167 7.916530000000001
41 1 2.6165599999999998 4.6132 -0.28943
42 1 2.337569999999999 4.80677 2.67606
43 1 2.4837599999999997 4.57722 5.21093
44 1 2.50842 4.59193 7.851510000000001
45 1 0.998102999999999 7.061960000000001 0.0810863
46 1 1.4107299999999994 6.8687700000000005 2.3328
47 1 0.844097999999999 6.609990000000001 5.10135
48 1 1.3531200000000003 6.95955 7.62211
49 1 7.941160000000001 -0.0477541 0.110086
50 1 8.012189999999999 -0.11898200000000002 2.63786
51 1 7.9914700000000005 -0.238257 5.581030000000001
52 1 7.77754 0.24369399999999997 7.422079999999999
53 1 6.589249999999998 2.36008 0.282285
54 1 6.54864 2.26214 3.15629
55 1 6.5125 2.7017400000000005 5.05537
56 1 6.58229 2.41464 7.909509999999999
57 1 5.192120000000001 4.52418 0.138194
58 1 5.167260000000001 4.632219999999999 3.11064
59 1 5.480599999999997 4.46265 5.57399
60 1 4.92052 4.63093 7.629480000000001
61 1 3.9238999999999993 6.683799999999999 -0.0487774
62 1 3.7866699999999986 6.77732 2.60113
63 1 3.80215 6.839629999999999 5.602310000000001
64 1 3.7910799999999996 6.8896500000000005 8.230770000000001
 
Masses
 
1 28.0855