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lammps/examples/comb/data.t-HfO2
e07d86e93fb8lammm-master

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data.t-HfO2
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1500 atoms
0 bonds
0 angles
0 dihedrals
0 impropers
2 atom types
0 bond types
0 angle types
0 dihedral types
0 improper types
0.0000000E+00 25.3573125000000 xlo xhi
0.0000000E+00 25.3573125000000 ylo yhi
0.0000000E+00 26.0602875000000 zlo zhi
0.0000000 0.0000000 0.0000000 xy xz yz
Atoms
1 1 3.40000000 2.53573 2.53573 2.60603
2 1 3.40000000 2.53573 0.00000 0.00000
3 1 3.40000000 0.00000 2.53573 0.00000
4 1 3.40000000 0.00000 0.00000 2.60603
5 2 -1.70000000 1.26787 1.26787 1.58968
6 2 -1.70000000 1.26787 1.26787 4.19571
7 2 -1.70000000 1.26787 3.80360 1.01635
8 2 -1.70000000 1.26787 3.80360 3.62238
9 2 -1.70000000 3.80360 1.26787 1.01635
10 2 -1.70000000 3.80360 1.26787 3.62238
11 2 -1.70000000 3.80360 3.80360 1.58968
12 2 -1.70000000 3.80360 3.80360 4.19571
13 1 3.40000000 2.53573 2.53573 7.81809
14 1 3.40000000 2.53573 0.00000 5.21206
15 1 3.40000000 0.00000 2.53573 5.21206
16 1 3.40000000 0.00000 0.00000 7.81809
17 2 -1.70000000 1.26787 1.26787 6.80174
18 2 -1.70000000 1.26787 1.26787 9.40776
19 2 -1.70000000 1.26787 3.80360 6.22841
20 2 -1.70000000 1.26787 3.80360 8.83444
21 2 -1.70000000 3.80360 1.26787 6.22841
22 2 -1.70000000 3.80360 1.26787 8.83444
23 2 -1.70000000 3.80360 3.80360 6.80174
24 2 -1.70000000 3.80360 3.80360 9.40776
25 1 3.40000000 2.53573 2.53573 13.03014
26 1 3.40000000 2.53573 0.00000 10.42412
27 1 3.40000000 0.00000 2.53573 10.42412
28 1 3.40000000 0.00000 0.00000 13.03014
29 2 -1.70000000 1.26787 1.26787 12.01379
30 2 -1.70000000 1.26787 1.26787 14.61982
31 2 -1.70000000 1.26787 3.80360 11.44047
32 2 -1.70000000 1.26787 3.80360 14.04649
33 2 -1.70000000 3.80360 1.26787 11.44047
34 2 -1.70000000 3.80360 1.26787 14.04649
35 2 -1.70000000 3.80360 3.80360 12.01379
36 2 -1.70000000 3.80360 3.80360 14.61982
37 1 3.40000000 2.53573 2.53573 18.24220
38 1 3.40000000 2.53573 0.00000 15.63617
39 1 3.40000000 0.00000 2.53573 15.63617
40 1 3.40000000 0.00000 0.00000 18.24220
41 2 -1.70000000 1.26787 1.26787 17.22585
42 2 -1.70000000 1.26787 1.26787 19.83188
43 2 -1.70000000 1.26787 3.80360 16.65252
44 2 -1.70000000 1.26787 3.80360 19.25855
45 2 -1.70000000 3.80360 1.26787 16.65252
46 2 -1.70000000 3.80360 1.26787 19.25855
47 2 -1.70000000 3.80360 3.80360 17.22585
48 2 -1.70000000 3.80360 3.80360 19.83188
49 1 3.40000000 2.53573 2.53573 23.45426
50 1 3.40000000 2.53573 0.00000 20.84823
51 1 3.40000000 0.00000 2.53573 20.84823
52 1 3.40000000 0.00000 0.00000 23.45426
53 2 -1.70000000 1.26787 1.26787 22.43791
54 2 -1.70000000 1.26787 1.26787 25.04394
55 2 -1.70000000 1.26787 3.80360 21.86458
56 2 -1.70000000 1.26787 3.80360 24.47061
57 2 -1.70000000 3.80360 1.26787 21.86458
58 2 -1.70000000 3.80360 1.26787 24.47061
59 2 -1.70000000 3.80360 3.80360 22.43791
60 2 -1.70000000 3.80360 3.80360 25.04394
61 1 3.40000000 2.53573 7.60719 2.60603
62 1 3.40000000 2.53573 5.07146 0.00000
63 1 3.40000000 0.00000 7.60719 0.00000
64 1 3.40000000 0.00000 5.07146 2.60603
65 2 -1.70000000 1.26787 6.33933 1.58968
66 2 -1.70000000 1.26787 6.33933 4.19571
67 2 -1.70000000 1.26787 8.87506 1.01635
68 2 -1.70000000 1.26787 8.87506 3.62238
69 2 -1.70000000 3.80360 6.33933 1.01635
70 2 -1.70000000 3.80360 6.33933 3.62238
71 2 -1.70000000 3.80360 8.87506 1.58968
72 2 -1.70000000 3.80360 8.87506 4.19571
73 1 3.40000000 2.53573 7.60719 7.81809
74 1 3.40000000 2.53573 5.07146 5.21206
75 1 3.40000000 0.00000 7.60719 5.21206
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77 2 -1.70000000 1.26787 6.33933 6.80174
78 2 -1.70000000 1.26787 6.33933 9.40776
79 2 -1.70000000 1.26787 8.87506 6.22841
80 2 -1.70000000 1.26787 8.87506 8.83444
81 2 -1.70000000 3.80360 6.33933 6.22841
82 2 -1.70000000 3.80360 6.33933 8.83444
83 2 -1.70000000 3.80360 8.87506 6.80174
84 2 -1.70000000 3.80360 8.87506 9.40776
85 1 3.40000000 2.53573 7.60719 13.03014
86 1 3.40000000 2.53573 5.07146 10.42412
87 1 3.40000000 0.00000 7.60719 10.42412
88 1 3.40000000 0.00000 5.07146 13.03014
89 2 -1.70000000 1.26787 6.33933 12.01379
90 2 -1.70000000 1.26787 6.33933 14.61982
91 2 -1.70000000 1.26787 8.87506 11.44047
92 2 -1.70000000 1.26787 8.87506 14.04649
93 2 -1.70000000 3.80360 6.33933 11.44047
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95 2 -1.70000000 3.80360 8.87506 12.01379
96 2 -1.70000000 3.80360 8.87506 14.61982
97 1 3.40000000 2.53573 7.60719 18.24220
98 1 3.40000000 2.53573 5.07146 15.63617
99 1 3.40000000 0.00000 7.60719 15.63617
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101 2 -1.70000000 1.26787 6.33933 17.22585
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103 2 -1.70000000 1.26787 8.87506 16.65252
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105 2 -1.70000000 3.80360 6.33933 16.65252
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113 2 -1.70000000 1.26787 6.33933 22.43791
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115 2 -1.70000000 1.26787 8.87506 21.86458
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121 1 3.40000000 2.53573 12.67866 2.60603
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125 2 -1.70000000 1.26787 11.41079 1.58968
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127 2 -1.70000000 1.26787 13.94652 1.01635
128 2 -1.70000000 1.26787 13.94652 3.62238
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133 1 3.40000000 2.53573 12.67866 7.81809
134 1 3.40000000 2.53573 10.14292 5.21206
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137 2 -1.70000000 1.26787 11.41079 6.80174
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139 2 -1.70000000 1.26787 13.94652 6.22841
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144 2 -1.70000000 3.80360 13.94652 9.40776
145 1 3.40000000 2.53573 12.67866 13.03014
146 1 3.40000000 2.53573 10.14292 10.42412
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148 1 3.40000000 0.00000 10.14292 13.03014
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150 2 -1.70000000 1.26787 11.41079 14.61982
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1499 2 -1.70000000 24.08945 24.08945 22.43791
1500 2 -1.70000000 24.08945 24.08945 25.04394
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