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lammps/examples/comb/data.m-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 25.6420000000000 xlo xhi
0.0000000E+00 25.9570000000000 ylo yhi
0.0000000E+00 26.4845000000000 zlo zhi
0.0000000 -4.4669100 0.0000000 xy xz yz
Atoms
1 1 3.60000000 1.23385 0.22323 1.10705
2 1 3.60000000 -1.68054 2.81893 1.54140
3 1 3.60000000 -1.23385 -0.22323 -1.10705
4 1 3.60000000 0.78716 2.37247 3.75550
5 2 -1.80000000 0.07843 1.77546 1.78506
6 2 -1.80000000 -0.52512 4.37116 0.86339
7 2 -1.80000000 -0.07843 -1.77546 -1.78506
8 2 -1.80000000 -0.36826 0.82024 4.43351
9 2 -1.80000000 1.86781 3.94027 2.54781
10 2 -1.80000000 -2.31450 1.34457 0.10064
11 2 -1.80000000 -1.86781 -3.94027 -2.54781
12 2 -1.80000000 1.42112 -1.34457 5.19626
13 1 3.60000000 0.34047 0.22323 6.40395
14 1 3.60000000 -2.57392 2.81893 6.83830
15 1 3.60000000 -2.12723 -0.22323 4.18985
16 1 3.60000000 -0.10622 2.37247 9.05240
17 2 -1.80000000 -0.81495 1.77546 7.08196
18 2 -1.80000000 -1.41850 4.37116 6.16029
19 2 -1.80000000 -0.97181 -1.77546 3.51184
20 2 -1.80000000 -1.26164 0.82024 9.73041
21 2 -1.80000000 0.97442 3.94027 7.84471
22 2 -1.80000000 -3.20788 1.34457 5.39754
23 2 -1.80000000 -2.76119 -3.94027 2.74909
24 2 -1.80000000 0.52773 -1.34457 10.49316
25 1 3.60000000 -0.55291 0.22323 11.70085
26 1 3.60000000 -3.46730 2.81893 12.13520
27 1 3.60000000 -3.02061 -0.22323 9.48675
28 1 3.60000000 -0.99961 2.37247 14.34930
29 2 -1.80000000 -1.70833 1.77546 12.37886
30 2 -1.80000000 -2.31189 4.37116 11.45719
31 2 -1.80000000 -1.86520 -1.77546 8.80874
32 2 -1.80000000 -2.15502 0.82024 15.02731
33 2 -1.80000000 0.08104 3.94027 13.14161
34 2 -1.80000000 -4.10126 1.34457 10.69444
35 2 -1.80000000 -3.65457 -3.94027 8.04599
36 2 -1.80000000 -0.36565 -1.34457 15.79006
37 1 3.60000000 -1.44630 0.22323 16.99775
38 1 3.60000000 -4.36069 2.81893 17.43210
39 1 3.60000000 -3.91400 -0.22323 14.78365
40 1 3.60000000 -1.89299 2.37247 19.64620
41 2 -1.80000000 -2.60171 1.77546 17.67576
42 2 -1.80000000 -3.20527 4.37116 16.75409
43 2 -1.80000000 -2.75858 -1.77546 14.10564
44 2 -1.80000000 -3.04841 0.82024 20.32421
45 2 -1.80000000 -0.81234 3.94027 18.43851
46 2 -1.80000000 -4.99464 1.34457 15.99134
47 2 -1.80000000 -4.54795 -3.94027 13.34289
48 2 -1.80000000 -1.25903 -1.34457 21.08696
49 1 3.60000000 -2.33968 0.22323 22.29465
50 1 3.60000000 -5.25407 2.81893 22.72900
51 1 3.60000000 -4.80738 -0.22323 20.08055
52 1 3.60000000 -2.78637 2.37247 24.94310
53 2 -1.80000000 -3.49510 1.77546 22.97266
54 2 -1.80000000 -4.09865 4.37116 22.05099
55 2 -1.80000000 -3.65196 -1.77546 19.40254
56 2 -1.80000000 -3.94179 0.82024 25.62111
57 2 -1.80000000 -1.70572 3.94027 23.73541
58 2 -1.80000000 -5.88803 1.34457 21.28824
59 2 -1.80000000 -5.44133 -3.94027 18.63979
60 2 -1.80000000 -2.15241 -1.34457 26.38386
61 1 3.60000000 1.23385 5.41463 1.10705
62 1 3.60000000 -1.68054 8.01033 1.54140
63 1 3.60000000 -1.23385 4.96817 -1.10705
64 1 3.60000000 0.78716 7.56387 3.75550
65 2 -1.80000000 0.07843 6.96686 1.78506
66 2 -1.80000000 -0.52512 9.56256 0.86339
67 2 -1.80000000 -0.07843 3.41594 -1.78506
68 2 -1.80000000 -0.36826 6.01164 4.43351
69 2 -1.80000000 1.86781 9.13167 2.54781
70 2 -1.80000000 -2.31450 6.53597 0.10064
71 2 -1.80000000 -1.86781 1.25113 -2.54781
72 2 -1.80000000 1.42112 3.84683 5.19626
73 1 3.60000000 0.34047 5.41463 6.40395
74 1 3.60000000 -2.57392 8.01033 6.83830
75 1 3.60000000 -2.12723 4.96817 4.18985
76 1 3.60000000 -0.10622 7.56387 9.05240
77 2 -1.80000000 -0.81495 6.96686 7.08196
78 2 -1.80000000 -1.41850 9.56256 6.16029
79 2 -1.80000000 -0.97181 3.41594 3.51184
80 2 -1.80000000 -1.26164 6.01164 9.73041
81 2 -1.80000000 0.97442 9.13167 7.84471
82 2 -1.80000000 -3.20788 6.53597 5.39754
83 2 -1.80000000 -2.76119 1.25113 2.74909
84 2 -1.80000000 0.52773 3.84683 10.49316
85 1 3.60000000 -0.55291 5.41463 11.70085
86 1 3.60000000 -3.46730 8.01033 12.13520
87 1 3.60000000 -3.02061 4.96817 9.48675
88 1 3.60000000 -0.99961 7.56387 14.34930
89 2 -1.80000000 -1.70833 6.96686 12.37886
90 2 -1.80000000 -2.31189 9.56256 11.45719
91 2 -1.80000000 -1.86520 3.41594 8.80874
92 2 -1.80000000 -2.15502 6.01164 15.02731
93 2 -1.80000000 0.08104 9.13167 13.14161
94 2 -1.80000000 -4.10126 6.53597 10.69444
95 2 -1.80000000 -3.65457 1.25113 8.04599
96 2 -1.80000000 -0.36565 3.84683 15.79006
97 1 3.60000000 -1.44630 5.41463 16.99775
98 1 3.60000000 -4.36069 8.01033 17.43210
99 1 3.60000000 -3.91400 4.96817 14.78365
100 1 3.60000000 -1.89299 7.56387 19.64620
101 2 -1.80000000 -2.60171 6.96686 17.67576
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107 2 -1.80000000 -4.54795 1.25113 13.34289
108 2 -1.80000000 -1.25903 3.84683 21.08696
109 1 3.60000000 -2.33968 5.41463 22.29465
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111 1 3.60000000 -4.80738 4.96817 20.08055
112 1 3.60000000 -2.78637 7.56387 24.94310
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118 2 -1.80000000 -5.88803 6.53597 21.28824
119 2 -1.80000000 -5.44133 1.25113 18.63979
120 2 -1.80000000 -2.15241 3.84683 26.38386
121 1 3.60000000 1.23385 10.60603 1.10705
122 1 3.60000000 -1.68054 13.20173 1.54140
123 1 3.60000000 -1.23385 10.15957 -1.10705
124 1 3.60000000 0.78716 12.75527 3.75550
125 2 -1.80000000 0.07843 12.15826 1.78506
126 2 -1.80000000 -0.52512 14.75396 0.86339
127 2 -1.80000000 -0.07843 8.60734 -1.78506
128 2 -1.80000000 -0.36826 11.20304 4.43351
129 2 -1.80000000 1.86781 14.32307 2.54781
130 2 -1.80000000 -2.31450 11.72737 0.10064
131 2 -1.80000000 -1.86781 6.44253 -2.54781
132 2 -1.80000000 1.42112 9.03823 5.19626
133 1 3.60000000 0.34047 10.60603 6.40395
134 1 3.60000000 -2.57392 13.20173 6.83830
135 1 3.60000000 -2.12723 10.15957 4.18985
136 1 3.60000000 -0.10622 12.75527 9.05240
137 2 -1.80000000 -0.81495 12.15826 7.08196
138 2 -1.80000000 -1.41850 14.75396 6.16029
139 2 -1.80000000 -0.97181 8.60734 3.51184
140 2 -1.80000000 -1.26164 11.20304 9.73041
141 2 -1.80000000 0.97442 14.32307 7.84471
142 2 -1.80000000 -3.20788 11.72737 5.39754
143 2 -1.80000000 -2.76119 6.44253 2.74909
144 2 -1.80000000 0.52773 9.03823 10.49316
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146 1 3.60000000 -3.46730 13.20173 12.13520
147 1 3.60000000 -3.02061 10.15957 9.48675
148 1 3.60000000 -0.99961 12.75527 14.34930
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181 1 3.60000000 1.23385 15.79743 1.10705
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184 1 3.60000000 0.78716 17.94667 3.75550
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192 2 -1.80000000 1.42112 14.22963 5.19626
193 1 3.60000000 0.34047 15.79743 6.40395
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195 1 3.60000000 -2.12723 15.35097 4.18985
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1499 2 -1.80000000 15.07227 16.82533 18.63979
1500 2 -1.80000000 18.36119 19.42103 26.38386
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