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lammps/examples/comb/data.c-HfO2
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data.c-HfO2
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Comment line
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 25.3446300000000 xlo xhi
0.0000000E+00 25.3446300000000 ylo yhi
0.0000000E+00 25.3446300000000 zlo zhi
0.0000000 0.0000000 0.0000000 xy xz yz
Atoms
1 1 3.42000000 0.00000 0.00000 0.00000
2 1 3.42000000 2.53446 2.53446 0.00000
3 1 3.42000000 0.00000 2.53446 2.53446
4 1 3.42000000 2.53446 0.00000 2.53446
5 2 -1.71000000 1.26723 1.26723 1.26723
6 2 -1.71000000 1.26723 1.26723 3.80169
7 2 -1.71000000 1.26723 3.80169 1.26723
8 2 -1.71000000 3.80169 1.26723 1.26723
9 2 -1.71000000 3.80169 3.80169 3.80169
10 2 -1.71000000 3.80169 1.26723 3.80169
11 2 -1.71000000 3.80169 3.80169 1.26723
12 2 -1.71000000 1.26723 3.80169 3.80169
13 1 3.42000000 0.00000 0.00000 5.06893
14 1 3.42000000 2.53446 2.53446 5.06893
15 1 3.42000000 0.00000 2.53446 7.60339
16 1 3.42000000 2.53446 0.00000 7.60339
17 2 -1.71000000 1.26723 1.26723 6.33616
18 2 -1.71000000 1.26723 1.26723 8.87062
19 2 -1.71000000 1.26723 3.80169 6.33616
20 2 -1.71000000 3.80169 1.26723 6.33616
21 2 -1.71000000 3.80169 3.80169 8.87062
22 2 -1.71000000 3.80169 1.26723 8.87062
23 2 -1.71000000 3.80169 3.80169 6.33616
24 2 -1.71000000 1.26723 3.80169 8.87062
25 1 3.42000000 0.00000 0.00000 10.13785
26 1 3.42000000 2.53446 2.53446 10.13785
27 1 3.42000000 0.00000 2.53446 12.67232
28 1 3.42000000 2.53446 0.00000 12.67232
29 2 -1.71000000 1.26723 1.26723 11.40508
30 2 -1.71000000 1.26723 1.26723 13.93955
31 2 -1.71000000 1.26723 3.80169 11.40508
32 2 -1.71000000 3.80169 1.26723 11.40508
33 2 -1.71000000 3.80169 3.80169 13.93955
34 2 -1.71000000 3.80169 1.26723 13.93955
35 2 -1.71000000 3.80169 3.80169 11.40508
36 2 -1.71000000 1.26723 3.80169 13.93955
37 1 3.42000000 0.00000 0.00000 15.20678
38 1 3.42000000 2.53446 2.53446 15.20678
39 1 3.42000000 0.00000 2.53446 17.74124
40 1 3.42000000 2.53446 0.00000 17.74124
41 2 -1.71000000 1.26723 1.26723 16.47401
42 2 -1.71000000 1.26723 1.26723 19.00847
43 2 -1.71000000 1.26723 3.80169 16.47401
44 2 -1.71000000 3.80169 1.26723 16.47401
45 2 -1.71000000 3.80169 3.80169 19.00847
46 2 -1.71000000 3.80169 1.26723 19.00847
47 2 -1.71000000 3.80169 3.80169 16.47401
48 2 -1.71000000 1.26723 3.80169 19.00847
49 1 3.42000000 0.00000 0.00000 20.27570
50 1 3.42000000 2.53446 2.53446 20.27570
51 1 3.42000000 0.00000 2.53446 22.81017
52 1 3.42000000 2.53446 0.00000 22.81017
53 2 -1.71000000 1.26723 1.26723 21.54294
54 2 -1.71000000 1.26723 1.26723 24.07740
55 2 -1.71000000 1.26723 3.80169 21.54294
56 2 -1.71000000 3.80169 1.26723 21.54294
57 2 -1.71000000 3.80169 3.80169 24.07740
58 2 -1.71000000 3.80169 1.26723 24.07740
59 2 -1.71000000 3.80169 3.80169 21.54294
60 2 -1.71000000 1.26723 3.80169 24.07740
61 1 3.42000000 0.00000 5.06893 0.00000
62 1 3.42000000 2.53446 7.60339 0.00000
63 1 3.42000000 0.00000 7.60339 2.53446
64 1 3.42000000 2.53446 5.06893 2.53446
65 2 -1.71000000 1.26723 6.33616 1.26723
66 2 -1.71000000 1.26723 6.33616 3.80169
67 2 -1.71000000 1.26723 8.87062 1.26723
68 2 -1.71000000 3.80169 6.33616 1.26723
69 2 -1.71000000 3.80169 8.87062 3.80169
70 2 -1.71000000 3.80169 6.33616 3.80169
71 2 -1.71000000 3.80169 8.87062 1.26723
72 2 -1.71000000 1.26723 8.87062 3.80169
73 1 3.42000000 0.00000 5.06893 5.06893
74 1 3.42000000 2.53446 7.60339 5.06893
75 1 3.42000000 0.00000 7.60339 7.60339
76 1 3.42000000 2.53446 5.06893 7.60339
77 2 -1.71000000 1.26723 6.33616 6.33616
78 2 -1.71000000 1.26723 6.33616 8.87062
79 2 -1.71000000 1.26723 8.87062 6.33616
80 2 -1.71000000 3.80169 6.33616 6.33616
81 2 -1.71000000 3.80169 8.87062 8.87062
82 2 -1.71000000 3.80169 6.33616 8.87062
83 2 -1.71000000 3.80169 8.87062 6.33616
84 2 -1.71000000 1.26723 8.87062 8.87062
85 1 3.42000000 0.00000 5.06893 10.13785
86 1 3.42000000 2.53446 7.60339 10.13785
87 1 3.42000000 0.00000 7.60339 12.67232
88 1 3.42000000 2.53446 5.06893 12.67232
89 2 -1.71000000 1.26723 6.33616 11.40508
90 2 -1.71000000 1.26723 6.33616 13.93955
91 2 -1.71000000 1.26723 8.87062 11.40508
92 2 -1.71000000 3.80169 6.33616 11.40508
93 2 -1.71000000 3.80169 8.87062 13.93955
94 2 -1.71000000 3.80169 6.33616 13.93955
95 2 -1.71000000 3.80169 8.87062 11.40508
96 2 -1.71000000 1.26723 8.87062 13.93955
97 1 3.42000000 0.00000 5.06893 15.20678
98 1 3.42000000 2.53446 7.60339 15.20678
99 1 3.42000000 0.00000 7.60339 17.74124
100 1 3.42000000 2.53446 5.06893 17.74124
101 2 -1.71000000 1.26723 6.33616 16.47401
102 2 -1.71000000 1.26723 6.33616 19.00847
103 2 -1.71000000 1.26723 8.87062 16.47401
104 2 -1.71000000 3.80169 6.33616 16.47401
105 2 -1.71000000 3.80169 8.87062 19.00847
106 2 -1.71000000 3.80169 6.33616 19.00847
107 2 -1.71000000 3.80169 8.87062 16.47401
108 2 -1.71000000 1.26723 8.87062 19.00847
109 1 3.42000000 0.00000 5.06893 20.27570
110 1 3.42000000 2.53446 7.60339 20.27570
111 1 3.42000000 0.00000 7.60339 22.81017
112 1 3.42000000 2.53446 5.06893 22.81017
113 2 -1.71000000 1.26723 6.33616 21.54294
114 2 -1.71000000 1.26723 6.33616 24.07740
115 2 -1.71000000 1.26723 8.87062 21.54294
116 2 -1.71000000 3.80169 6.33616 21.54294
117 2 -1.71000000 3.80169 8.87062 24.07740
118 2 -1.71000000 3.80169 6.33616 24.07740
119 2 -1.71000000 3.80169 8.87062 21.54294
120 2 -1.71000000 1.26723 8.87062 24.07740
121 1 3.42000000 0.00000 10.13785 0.00000
122 1 3.42000000 2.53446 12.67232 0.00000
123 1 3.42000000 0.00000 12.67232 2.53446
124 1 3.42000000 2.53446 10.13785 2.53446
125 2 -1.71000000 1.26723 11.40508 1.26723
126 2 -1.71000000 1.26723 11.40508 3.80169
127 2 -1.71000000 1.26723 13.93955 1.26723
128 2 -1.71000000 3.80169 11.40508 1.26723
129 2 -1.71000000 3.80169 13.93955 3.80169
130 2 -1.71000000 3.80169 11.40508 3.80169
131 2 -1.71000000 3.80169 13.93955 1.26723
132 2 -1.71000000 1.26723 13.93955 3.80169
133 1 3.42000000 0.00000 10.13785 5.06893
134 1 3.42000000 2.53446 12.67232 5.06893
135 1 3.42000000 0.00000 12.67232 7.60339
136 1 3.42000000 2.53446 10.13785 7.60339
137 2 -1.71000000 1.26723 11.40508 6.33616
138 2 -1.71000000 1.26723 11.40508 8.87062
139 2 -1.71000000 1.26723 13.93955 6.33616
140 2 -1.71000000 3.80169 11.40508 6.33616
141 2 -1.71000000 3.80169 13.93955 8.87062
142 2 -1.71000000 3.80169 11.40508 8.87062
143 2 -1.71000000 3.80169 13.93955 6.33616
144 2 -1.71000000 1.26723 13.93955 8.87062
145 1 3.42000000 0.00000 10.13785 10.13785
146 1 3.42000000 2.53446 12.67232 10.13785
147 1 3.42000000 0.00000 12.67232 12.67232
148 1 3.42000000 2.53446 10.13785 12.67232
149 2 -1.71000000 1.26723 11.40508 11.40508
150 2 -1.71000000 1.26723 11.40508 13.93955
151 2 -1.71000000 1.26723 13.93955 11.40508
152 2 -1.71000000 3.80169 11.40508 11.40508
153 2 -1.71000000 3.80169 13.93955 13.93955
154 2 -1.71000000 3.80169 11.40508 13.93955
155 2 -1.71000000 3.80169 13.93955 11.40508
156 2 -1.71000000 1.26723 13.93955 13.93955
157 1 3.42000000 0.00000 10.13785 15.20678
158 1 3.42000000 2.53446 12.67232 15.20678
159 1 3.42000000 0.00000 12.67232 17.74124
160 1 3.42000000 2.53446 10.13785 17.74124
161 2 -1.71000000 1.26723 11.40508 16.47401
162 2 -1.71000000 1.26723 11.40508 19.00847
163 2 -1.71000000 1.26723 13.93955 16.47401
164 2 -1.71000000 3.80169 11.40508 16.47401
165 2 -1.71000000 3.80169 13.93955 19.00847
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167 2 -1.71000000 3.80169 13.93955 16.47401
168 2 -1.71000000 1.26723 13.93955 19.00847
169 1 3.42000000 0.00000 10.13785 20.27570
170 1 3.42000000 2.53446 12.67232 20.27570
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174 2 -1.71000000 1.26723 11.40508 24.07740
175 2 -1.71000000 1.26723 13.93955 21.54294
176 2 -1.71000000 3.80169 11.40508 21.54294
177 2 -1.71000000 3.80169 13.93955 24.07740
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179 2 -1.71000000 3.80169 13.93955 21.54294
180 2 -1.71000000 1.26723 13.93955 24.07740
181 1 3.42000000 0.00000 15.20678 0.00000
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184 1 3.42000000 2.53446 15.20678 2.53446
185 2 -1.71000000 1.26723 16.47401 1.26723
186 2 -1.71000000 1.26723 16.47401 3.80169
187 2 -1.71000000 1.26723 19.00847 1.26723
188 2 -1.71000000 3.80169 16.47401 1.26723
189 2 -1.71000000 3.80169 19.00847 3.80169
190 2 -1.71000000 3.80169 16.47401 3.80169
191 2 -1.71000000 3.80169 19.00847 1.26723
192 2 -1.71000000 1.26723 19.00847 3.80169
193 1 3.42000000 0.00000 15.20678 5.06893
194 1 3.42000000 2.53446 17.74124 5.06893
195 1 3.42000000 0.00000 17.74124 7.60339
196 1 3.42000000 2.53446 15.20678 7.60339
197 2 -1.71000000 1.26723 16.47401 6.33616
198 2 -1.71000000 1.26723 16.47401 8.87062
199 2 -1.71000000 1.26723 19.00847 6.33616
200 2 -1.71000000 3.80169 16.47401 6.33616
201 2 -1.71000000 3.80169 19.00847 8.87062
202 2 -1.71000000 3.80169 16.47401 8.87062
203 2 -1.71000000 3.80169 19.00847 6.33616
204 2 -1.71000000 1.26723 19.00847 8.87062
205 1 3.42000000 0.00000 15.20678 10.13785
206 1 3.42000000 2.53446 17.74124 10.13785
207 1 3.42000000 0.00000 17.74124 12.67232
208 1 3.42000000 2.53446 15.20678 12.67232
209 2 -1.71000000 1.26723 16.47401 11.40508
210 2 -1.71000000 1.26723 16.47401 13.93955
211 2 -1.71000000 1.26723 19.00847 11.40508
212 2 -1.71000000 3.80169 16.47401 11.40508
213 2 -1.71000000 3.80169 19.00847 13.93955
214 2 -1.71000000 3.80169 16.47401 13.93955
215 2 -1.71000000 3.80169 19.00847 11.40508
216 2 -1.71000000 1.26723 19.00847 13.93955
217 1 3.42000000 0.00000 15.20678 15.20678
218 1 3.42000000 2.53446 17.74124 15.20678
219 1 3.42000000 0.00000 17.74124 17.74124
220 1 3.42000000 2.53446 15.20678 17.74124
221 2 -1.71000000 1.26723 16.47401 16.47401
222 2 -1.71000000 1.26723 16.47401 19.00847
223 2 -1.71000000 1.26723 19.00847 16.47401
224 2 -1.71000000 3.80169 16.47401 16.47401
225 2 -1.71000000 3.80169 19.00847 19.00847
226 2 -1.71000000 3.80169 16.47401 19.00847
227 2 -1.71000000 3.80169 19.00847 16.47401
228 2 -1.71000000 1.26723 19.00847 19.00847
229 1 3.42000000 0.00000 15.20678 20.27570
230 1 3.42000000 2.53446 17.74124 20.27570
231 1 3.42000000 0.00000 17.74124 22.81017
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234 2 -1.71000000 1.26723 16.47401 24.07740
235 2 -1.71000000 1.26723 19.00847 21.54294
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237 2 -1.71000000 3.80169 19.00847 24.07740
238 2 -1.71000000 3.80169 16.47401 24.07740
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243 1 3.42000000 0.00000 22.81017 2.53446
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247 2 -1.71000000 1.26723 24.07740 1.26723
248 2 -1.71000000 3.80169 21.54294 1.26723
249 2 -1.71000000 3.80169 24.07740 3.80169
250 2 -1.71000000 3.80169 21.54294 3.80169
251 2 -1.71000000 3.80169 24.07740 1.26723
252 2 -1.71000000 1.26723 24.07740 3.80169
253 1 3.42000000 0.00000 20.27570 5.06893
254 1 3.42000000 2.53446 22.81017 5.06893
255 1 3.42000000 0.00000 22.81017 7.60339
256 1 3.42000000 2.53446 20.27570 7.60339
257 2 -1.71000000 1.26723 21.54294 6.33616
258 2 -1.71000000 1.26723 21.54294 8.87062
259 2 -1.71000000 1.26723 24.07740 6.33616
260 2 -1.71000000 3.80169 21.54294 6.33616
261 2 -1.71000000 3.80169 24.07740 8.87062
262 2 -1.71000000 3.80169 21.54294 8.87062
263 2 -1.71000000 3.80169 24.07740 6.33616
264 2 -1.71000000 1.26723 24.07740 8.87062
265 1 3.42000000 0.00000 20.27570 10.13785
266 1 3.42000000 2.53446 22.81017 10.13785
267 1 3.42000000 0.00000 22.81017 12.67232
268 1 3.42000000 2.53446 20.27570 12.67232
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297 2 -1.71000000 3.80169 24.07740 24.07740
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300 2 -1.71000000 1.26723 24.07740 24.07740
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308 2 -1.71000000 8.87062 1.26723 1.26723
309 2 -1.71000000 8.87062 3.80169 3.80169
310 2 -1.71000000 8.87062 1.26723 3.80169
311 2 -1.71000000 8.87062 3.80169 1.26723
312 2 -1.71000000 6.33616 3.80169 3.80169
313 1 3.42000000 5.06893 0.00000 5.06893
314 1 3.42000000 7.60339 2.53446 5.06893
315 1 3.42000000 5.06893 2.53446 7.60339
316 1 3.42000000 7.60339 0.00000 7.60339
317 2 -1.71000000 6.33616 1.26723 6.33616
318 2 -1.71000000 6.33616 1.26723 8.87062
319 2 -1.71000000 6.33616 3.80169 6.33616
320 2 -1.71000000 8.87062 1.26723 6.33616
321 2 -1.71000000 8.87062 3.80169 8.87062
322 2 -1.71000000 8.87062 1.26723 8.87062
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334 2 -1.71000000 8.87062 1.26723 13.93955
335 2 -1.71000000 8.87062 3.80169 11.40508
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346 2 -1.71000000 8.87062 1.26723 19.00847
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351 1 3.42000000 5.06893 2.53446 22.81017
352 1 3.42000000 7.60339 0.00000 22.81017
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354 2 -1.71000000 6.33616 1.26723 24.07740
355 2 -1.71000000 6.33616 3.80169 21.54294
356 2 -1.71000000 8.87062 1.26723 21.54294
357 2 -1.71000000 8.87062 3.80169 24.07740
358 2 -1.71000000 8.87062 1.26723 24.07740
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360 2 -1.71000000 6.33616 3.80169 24.07740
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363 1 3.42000000 5.06893 7.60339 2.53446
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367 2 -1.71000000 6.33616 8.87062 1.26723
368 2 -1.71000000 8.87062 6.33616 1.26723
369 2 -1.71000000 8.87062 8.87062 3.80169
370 2 -1.71000000 8.87062 6.33616 3.80169
371 2 -1.71000000 8.87062 8.87062 1.26723
372 2 -1.71000000 6.33616 8.87062 3.80169
373 1 3.42000000 5.06893 5.06893 5.06893
374 1 3.42000000 7.60339 7.60339 5.06893
375 1 3.42000000 5.06893 7.60339 7.60339
376 1 3.42000000 7.60339 5.06893 7.60339
377 2 -1.71000000 6.33616 6.33616 6.33616
378 2 -1.71000000 6.33616 6.33616 8.87062
379 2 -1.71000000 6.33616 8.87062 6.33616
380 2 -1.71000000 8.87062 6.33616 6.33616
381 2 -1.71000000 8.87062 8.87062 8.87062
382 2 -1.71000000 8.87062 6.33616 8.87062
383 2 -1.71000000 8.87062 8.87062 6.33616
384 2 -1.71000000 6.33616 8.87062 8.87062
385 1 3.42000000 5.06893 5.06893 10.13785
386 1 3.42000000 7.60339 7.60339 10.13785
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