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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
102 2 -1.80000000 -3.20527 9.56256 16.75409
103 2 -1.80000000 -2.75858 3.41594 14.10564
104 2 -1.80000000 -3.04841 6.01164 20.32421
105 2 -1.80000000 -0.81234 9.13167 18.43851
106 2 -1.80000000 -4.99464 6.53597 15.99134
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
110 1 3.60000000 -5.25407 8.01033 22.72900
111 1 3.60000000 -4.80738 4.96817 20.08055
112 1 3.60000000 -2.78637 7.56387 24.94310
113 2 -1.80000000 -3.49510 6.96686 22.97266
114 2 -1.80000000 -4.09865 9.56256 22.05099
115 2 -1.80000000 -3.65196 3.41594 19.40254
116 2 -1.80000000 -3.94179 6.01164 25.62111
117 2 -1.80000000 -1.70572 9.13167 23.73541
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
145 1 3.60000000 -0.55291 10.60603 11.70085
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
149 2 -1.80000000 -1.70833 12.15826 12.37886
150 2 -1.80000000 -2.31189 14.75396 11.45719
151 2 -1.80000000 -1.86520 8.60734 8.80874
152 2 -1.80000000 -2.15502 11.20304 15.02731
153 2 -1.80000000 0.08104 14.32307 13.14161
154 2 -1.80000000 -4.10126 11.72737 10.69444
155 2 -1.80000000 -3.65457 6.44253 8.04599
156 2 -1.80000000 -0.36565 9.03823 15.79006
157 1 3.60000000 -1.44630 10.60603 16.99775
158 1 3.60000000 -4.36069 13.20173 17.43210
159 1 3.60000000 -3.91400 10.15957 14.78365
160 1 3.60000000 -1.89299 12.75527 19.64620
161 2 -1.80000000 -2.60171 12.15826 17.67576
162 2 -1.80000000 -3.20527 14.75396 16.75409
163 2 -1.80000000 -2.75858 8.60734 14.10564
164 2 -1.80000000 -3.04841 11.20304 20.32421
165 2 -1.80000000 -0.81234 14.32307 18.43851
166 2 -1.80000000 -4.99464 11.72737 15.99134
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168 2 -1.80000000 -1.25903 9.03823 21.08696
169 1 3.60000000 -2.33968 10.60603 22.29465
170 1 3.60000000 -5.25407 13.20173 22.72900
171 1 3.60000000 -4.80738 10.15957 20.08055
172 1 3.60000000 -2.78637 12.75527 24.94310
173 2 -1.80000000 -3.49510 12.15826 22.97266
174 2 -1.80000000 -4.09865 14.75396 22.05099
175 2 -1.80000000 -3.65196 8.60734 19.40254
176 2 -1.80000000 -3.94179 11.20304 25.62111
177 2 -1.80000000 -1.70572 14.32307 23.73541
178 2 -1.80000000 -5.88803 11.72737 21.28824
179 2 -1.80000000 -5.44133 6.44253 18.63979
180 2 -1.80000000 -2.15241 9.03823 26.38386
181 1 3.60000000 1.23385 15.79743 1.10705
182 1 3.60000000 -1.68054 18.39313 1.54140
183 1 3.60000000 -1.23385 15.35097 -1.10705
184 1 3.60000000 0.78716 17.94667 3.75550
185 2 -1.80000000 0.07843 17.34966 1.78506
186 2 -1.80000000 -0.52512 19.94536 0.86339
187 2 -1.80000000 -0.07843 13.79874 -1.78506
188 2 -1.80000000 -0.36826 16.39444 4.43351
189 2 -1.80000000 1.86781 19.51447 2.54781
190 2 -1.80000000 -2.31450 16.91877 0.10064
191 2 -1.80000000 -1.86781 11.63393 -2.54781
192 2 -1.80000000 1.42112 14.22963 5.19626
193 1 3.60000000 0.34047 15.79743 6.40395
194 1 3.60000000 -2.57392 18.39313 6.83830
195 1 3.60000000 -2.12723 15.35097 4.18985
196 1 3.60000000 -0.10622 17.94667 9.05240
197 2 -1.80000000 -0.81495 17.34966 7.08196
198 2 -1.80000000 -1.41850 19.94536 6.16029
199 2 -1.80000000 -0.97181 13.79874 3.51184
200 2 -1.80000000 -1.26164 16.39444 9.73041
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204 2 -1.80000000 0.52773 14.22963 10.49316
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206 1 3.60000000 -3.46730 18.39313 12.13520
207 1 3.60000000 -3.02061 15.35097 9.48675
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209 2 -1.80000000 -1.70833 17.34966 12.37886
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211 2 -1.80000000 -1.86520 13.79874 8.80874
212 2 -1.80000000 -2.15502 16.39444 15.02731
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214 2 -1.80000000 -4.10126 16.91877 10.69444
215 2 -1.80000000 -3.65457 11.63393 8.04599
216 2 -1.80000000 -0.36565 14.22963 15.79006
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218 1 3.60000000 -4.36069 18.39313 17.43210
219 1 3.60000000 -3.91400 15.35097 14.78365
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223 2 -1.80000000 -2.75858 13.79874 14.10564
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227 2 -1.80000000 -4.54795 11.63393 13.34289
228 2 -1.80000000 -1.25903 14.22963 21.08696
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230 1 3.60000000 -5.25407 18.39313 22.72900
231 1 3.60000000 -4.80738 15.35097 20.08055
232 1 3.60000000 -2.78637 17.94667 24.94310
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238 2 -1.80000000 -5.88803 16.91877 21.28824
239 2 -1.80000000 -5.44133 11.63393 18.63979
240 2 -1.80000000 -2.15241 14.22963 26.38386
241 1 3.60000000 1.23385 20.98883 1.10705
242 1 3.60000000 -1.68054 23.58453 1.54140
243 1 3.60000000 -1.23385 20.54237 -1.10705
244 1 3.60000000 0.78716 23.13807 3.75550
245 2 -1.80000000 0.07843 22.54106 1.78506
246 2 -1.80000000 -0.52512 25.13676 0.86339
247 2 -1.80000000 -0.07843 18.99014 -1.78506
248 2 -1.80000000 -0.36826 21.58584 4.43351
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250 2 -1.80000000 -2.31450 22.11017 0.10064
251 2 -1.80000000 -1.86781 16.82533 -2.54781
252 2 -1.80000000 1.42112 19.42103 5.19626
253 1 3.60000000 0.34047 20.98883 6.40395
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255 1 3.60000000 -2.12723 20.54237 4.18985
256 1 3.60000000 -0.10622 23.13807 9.05240
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262 2 -1.80000000 -3.20788 22.11017 5.39754
263 2 -1.80000000 -2.76119 16.82533 2.74909
264 2 -1.80000000 0.52773 19.42103 10.49316
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266 1 3.60000000 -3.46730 23.58453 12.13520
267 1 3.60000000 -3.02061 20.54237 9.48675
268 1 3.60000000 -0.99961 23.13807 14.34930
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271 2 -1.80000000 -1.86520 18.99014 8.80874
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276 2 -1.80000000 -0.36565 19.42103 15.79006
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279 1 3.60000000 -3.91400 20.54237 14.78365
280 1 3.60000000 -1.89299 23.13807 19.64620
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283 2 -1.80000000 -2.75858 18.99014 14.10564
284 2 -1.80000000 -3.04841 21.58584 20.32421
285 2 -1.80000000 -0.81234 24.70587 18.43851
286 2 -1.80000000 -4.99464 22.11017 15.99134
287 2 -1.80000000 -4.54795 16.82533 13.34289
288 2 -1.80000000 -1.25903 19.42103 21.08696
289 1 3.60000000 -2.33968 20.98883 22.29465
290 1 3.60000000 -5.25407 23.58453 22.72900
291 1 3.60000000 -4.80738 20.54237 20.08055
292 1 3.60000000 -2.78637 23.13807 24.94310
293 2 -1.80000000 -3.49510 22.54106 22.97266
294 2 -1.80000000 -4.09865 25.13676 22.05099
295 2 -1.80000000 -3.65196 18.99014 19.40254
296 2 -1.80000000 -3.94179 21.58584 25.62111
297 2 -1.80000000 -1.70572 24.70587 23.73541
298 2 -1.80000000 -5.88803 22.11017 21.28824
299 2 -1.80000000 -5.44133 16.82533 18.63979
300 2 -1.80000000 -2.15241 19.42103 26.38386
301 1 3.60000000 6.36225 0.22323 1.10705
302 1 3.60000000 3.44786 2.81893 1.54140
303 1 3.60000000 3.89455 -0.22323 -1.10705
304 1 3.60000000 5.91556 2.37247 3.75550
305 2 -1.80000000 5.20683 1.77546 1.78506
306 2 -1.80000000 4.60328 4.37116 0.86339
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308 2 -1.80000000 4.76014 0.82024 4.43351
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310 2 -1.80000000 2.81390 1.34457 0.10064
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312 2 -1.80000000 6.54952 -1.34457 5.19626
313 1 3.60000000 5.46887 0.22323 6.40395
314 1 3.60000000 2.55448 2.81893 6.83830
315 1 3.60000000 3.00117 -0.22323 4.18985
316 1 3.60000000 5.02218 2.37247 9.05240
317 2 -1.80000000 4.31345 1.77546 7.08196
318 2 -1.80000000 3.70990 4.37116 6.16029
319 2 -1.80000000 4.15659 -1.77546 3.51184
320 2 -1.80000000 3.86676 0.82024 9.73041
321 2 -1.80000000 6.10282 3.94027 7.84471
322 2 -1.80000000 1.92052 1.34457 5.39754
323 2 -1.80000000 2.36721 -3.94027 2.74909
324 2 -1.80000000 5.65613 -1.34457 10.49316
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326 1 3.60000000 1.66110 2.81893 12.13520
327 1 3.60000000 2.10779 -0.22323 9.48675
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329 2 -1.80000000 3.42007 1.77546 12.37886
330 2 -1.80000000 2.81651 4.37116 11.45719
331 2 -1.80000000 3.26320 -1.77546 8.80874
332 2 -1.80000000 2.97338 0.82024 15.02731
333 2 -1.80000000 5.20944 3.94027 13.14161
334 2 -1.80000000 1.02714 1.34457 10.69444
335 2 -1.80000000 1.47383 -3.94027 8.04599
336 2 -1.80000000 4.76275 -1.34457 15.79006
337 1 3.60000000 3.68210 0.22323 16.99775
338 1 3.60000000 0.76771 2.81893 17.43210
339 1 3.60000000 1.21440 -0.22323 14.78365
340 1 3.60000000 3.23541 2.37247 19.64620
341 2 -1.80000000 2.52669 1.77546 17.67576
342 2 -1.80000000 1.92313 4.37116 16.75409
343 2 -1.80000000 2.36982 -1.77546 14.10564
344 2 -1.80000000 2.07999 0.82024 20.32421
345 2 -1.80000000 4.31606 3.94027 18.43851
346 2 -1.80000000 0.13376 1.34457 15.99134
347 2 -1.80000000 0.58045 -3.94027 13.34289
348 2 -1.80000000 3.86937 -1.34457 21.08696
349 1 3.60000000 2.78872 0.22323 22.29465
350 1 3.60000000 -0.12567 2.81893 22.72900
351 1 3.60000000 0.32102 -0.22323 20.08055
352 1 3.60000000 2.34203 2.37247 24.94310
353 2 -1.80000000 1.63330 1.77546 22.97266
354 2 -1.80000000 1.02975 4.37116 22.05099
355 2 -1.80000000 1.47644 -1.77546 19.40254
356 2 -1.80000000 1.18661 0.82024 25.62111
357 2 -1.80000000 3.42268 3.94027 23.73541
358 2 -1.80000000 -0.75963 1.34457 21.28824
359 2 -1.80000000 -0.31293 -3.94027 18.63979
360 2 -1.80000000 2.97599 -1.34457 26.38386
361 1 3.60000000 6.36225 5.41463 1.10705
362 1 3.60000000 3.44786 8.01033 1.54140
363 1 3.60000000 3.89455 4.96817 -1.10705
364 1 3.60000000 5.91556 7.56387 3.75550
365 2 -1.80000000 5.20683 6.96686 1.78506
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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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