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lammps/examples/comb/data.Cu2O

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4536 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-20 08:22:52 +08:00
Comment line
1296 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 25.6200000000000 xlo xhi
0.0000000E+00 25.6200000000000 ylo yhi
0.0000000E+00 25.6200000000000 zlo zhi
0.0 0.0 0.0 xy xz yz
Atoms
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2 1 0.70000 0.00000 2.13500 2.13500
3 1 0.70000 2.13500 0.00000 2.13500
4 1 0.70000 2.13500 2.13500 0.00000
5 2 -1.40000 1.06750 1.06750 1.06750
6 2 -1.40000 3.20250 3.20250 3.20250
7 1 0.70000 0.00000 0.00000 4.27000
8 1 0.70000 0.00000 2.13500 6.40500
9 1 0.70000 2.13500 0.00000 6.40500
10 1 0.70000 2.13500 2.13500 4.27000
11 2 -1.40000 1.06750 1.06750 5.33750
12 2 -1.40000 3.20250 3.20250 7.47250
13 1 0.70000 0.00000 0.00000 8.54000
14 1 0.70000 0.00000 2.13500 10.67500
15 1 0.70000 2.13500 0.00000 10.67500
16 1 0.70000 2.13500 2.13500 8.54000
17 2 -1.40000 1.06750 1.06750 9.60750
18 2 -1.40000 3.20250 3.20250 11.74250
19 1 0.70000 0.00000 0.00000 12.81000
20 1 0.70000 0.00000 2.13500 14.94500
21 1 0.70000 2.13500 0.00000 14.94500
22 1 0.70000 2.13500 2.13500 12.81000
23 2 -1.40000 1.06750 1.06750 13.87750
24 2 -1.40000 3.20250 3.20250 16.01250
25 1 0.70000 0.00000 0.00000 17.08000
26 1 0.70000 0.00000 2.13500 19.21500
27 1 0.70000 2.13500 0.00000 19.21500
28 1 0.70000 2.13500 2.13500 17.08000
29 2 -1.40000 1.06750 1.06750 18.14750
30 2 -1.40000 3.20250 3.20250 20.28250
31 1 0.70000 0.00000 0.00000 21.35000
32 1 0.70000 0.00000 2.13500 23.48500
33 1 0.70000 2.13500 0.00000 23.48500
34 1 0.70000 2.13500 2.13500 21.35000
35 2 -1.40000 1.06750 1.06750 22.41750
36 2 -1.40000 3.20250 3.20250 24.55250
37 1 0.70000 0.00000 4.27000 0.00000
38 1 0.70000 0.00000 6.40500 2.13500
39 1 0.70000 2.13500 4.27000 2.13500
40 1 0.70000 2.13500 6.40500 0.00000
41 2 -1.40000 1.06750 5.33750 1.06750
42 2 -1.40000 3.20250 7.47250 3.20250
43 1 0.70000 0.00000 4.27000 4.27000
44 1 0.70000 0.00000 6.40500 6.40500
45 1 0.70000 2.13500 4.27000 6.40500
46 1 0.70000 2.13500 6.40500 4.27000
47 2 -1.40000 1.06750 5.33750 5.33750
48 2 -1.40000 3.20250 7.47250 7.47250
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51 1 0.70000 2.13500 4.27000 10.67500
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54 2 -1.40000 3.20250 7.47250 11.74250
55 1 0.70000 0.00000 4.27000 12.81000
56 1 0.70000 0.00000 6.40500 14.94500
57 1 0.70000 2.13500 4.27000 14.94500
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59 2 -1.40000 1.06750 5.33750 13.87750
60 2 -1.40000 3.20250 7.47250 16.01250
61 1 0.70000 0.00000 4.27000 17.08000
62 1 0.70000 0.00000 6.40500 19.21500
63 1 0.70000 2.13500 4.27000 19.21500
64 1 0.70000 2.13500 6.40500 17.08000
65 2 -1.40000 1.06750 5.33750 18.14750
66 2 -1.40000 3.20250 7.47250 20.28250
67 1 0.70000 0.00000 4.27000 21.35000
68 1 0.70000 0.00000 6.40500 23.48500
69 1 0.70000 2.13500 4.27000 23.48500
70 1 0.70000 2.13500 6.40500 21.35000
71 2 -1.40000 1.06750 5.33750 22.41750
72 2 -1.40000 3.20250 7.47250 24.55250
73 1 0.70000 0.00000 8.54000 0.00000
74 1 0.70000 0.00000 10.67500 2.13500
75 1 0.70000 2.13500 8.54000 2.13500
76 1 0.70000 2.13500 10.67500 0.00000
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92 1 0.70000 0.00000 10.67500 14.94500
93 1 0.70000 2.13500 8.54000 14.94500
94 1 0.70000 2.13500 10.67500 12.81000
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96 2 -1.40000 3.20250 11.74250 16.01250
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98 1 0.70000 0.00000 10.67500 19.21500
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102 2 -1.40000 3.20250 11.74250 20.28250
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135 1 0.70000 2.13500 12.81000 19.21500
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138 2 -1.40000 3.20250 16.01250 20.28250
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142 1 0.70000 2.13500 14.94500 21.35000
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148 1 0.70000 2.13500 19.21500 0.00000
149 2 -1.40000 1.06750 18.14750 1.06750
150 2 -1.40000 3.20250 20.28250 3.20250
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153 1 0.70000 2.13500 17.08000 6.40500
154 1 0.70000 2.13500 19.21500 4.27000
155 2 -1.40000 1.06750 18.14750 5.33750
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1176 2 -1.40000 24.55250 11.74250 16.01250
1177 1 0.70000 21.35000 8.54000 17.08000
1178 1 0.70000 21.35000 10.67500 19.21500
1179 1 0.70000 23.48500 8.54000 19.21500
1180 1 0.70000 23.48500 10.67500 17.08000
1181 2 -1.40000 22.41750 9.60750 18.14750
1182 2 -1.40000 24.55250 11.74250 20.28250
1183 1 0.70000 21.35000 8.54000 21.35000
1184 1 0.70000 21.35000 10.67500 23.48500
1185 1 0.70000 23.48500 8.54000 23.48500
1186 1 0.70000 23.48500 10.67500 21.35000
1187 2 -1.40000 22.41750 9.60750 22.41750
1188 2 -1.40000 24.55250 11.74250 24.55250
1189 1 0.70000 21.35000 12.81000 0.00000
1190 1 0.70000 21.35000 14.94500 2.13500
1191 1 0.70000 23.48500 12.81000 2.13500
1192 1 0.70000 23.48500 14.94500 0.00000
1193 2 -1.40000 22.41750 13.87750 1.06750
1194 2 -1.40000 24.55250 16.01250 3.20250
1195 1 0.70000 21.35000 12.81000 4.27000
1196 1 0.70000 21.35000 14.94500 6.40500
1197 1 0.70000 23.48500 12.81000 6.40500
1198 1 0.70000 23.48500 14.94500 4.27000
1199 2 -1.40000 22.41750 13.87750 5.33750
1200 2 -1.40000 24.55250 16.01250 7.47250
1201 1 0.70000 21.35000 12.81000 8.54000
1202 1 0.70000 21.35000 14.94500 10.67500
1203 1 0.70000 23.48500 12.81000 10.67500
1204 1 0.70000 23.48500 14.94500 8.54000
1205 2 -1.40000 22.41750 13.87750 9.60750
1206 2 -1.40000 24.55250 16.01250 11.74250
1207 1 0.70000 21.35000 12.81000 12.81000
1208 1 0.70000 21.35000 14.94500 14.94500
1209 1 0.70000 23.48500 12.81000 14.94500
1210 1 0.70000 23.48500 14.94500 12.81000
1211 2 -1.40000 22.41750 13.87750 13.87750
1212 2 -1.40000 24.55250 16.01250 16.01250
1213 1 0.70000 21.35000 12.81000 17.08000
1214 1 0.70000 21.35000 14.94500 19.21500
1215 1 0.70000 23.48500 12.81000 19.21500
1216 1 0.70000 23.48500 14.94500 17.08000
1217 2 -1.40000 22.41750 13.87750 18.14750
1218 2 -1.40000 24.55250 16.01250 20.28250
1219 1 0.70000 21.35000 12.81000 21.35000
1220 1 0.70000 21.35000 14.94500 23.48500
1221 1 0.70000 23.48500 12.81000 23.48500
1222 1 0.70000 23.48500 14.94500 21.35000
1223 2 -1.40000 22.41750 13.87750 22.41750
1224 2 -1.40000 24.55250 16.01250 24.55250
1225 1 0.70000 21.35000 17.08000 0.00000
1226 1 0.70000 21.35000 19.21500 2.13500
1227 1 0.70000 23.48500 17.08000 2.13500
1228 1 0.70000 23.48500 19.21500 0.00000
1229 2 -1.40000 22.41750 18.14750 1.06750
1230 2 -1.40000 24.55250 20.28250 3.20250
1231 1 0.70000 21.35000 17.08000 4.27000
1232 1 0.70000 21.35000 19.21500 6.40500
1233 1 0.70000 23.48500 17.08000 6.40500
1234 1 0.70000 23.48500 19.21500 4.27000
1235 2 -1.40000 22.41750 18.14750 5.33750
1236 2 -1.40000 24.55250 20.28250 7.47250
1237 1 0.70000 21.35000 17.08000 8.54000
1238 1 0.70000 21.35000 19.21500 10.67500
1239 1 0.70000 23.48500 17.08000 10.67500
1240 1 0.70000 23.48500 19.21500 8.54000
1241 2 -1.40000 22.41750 18.14750 9.60750
1242 2 -1.40000 24.55250 20.28250 11.74250
1243 1 0.70000 21.35000 17.08000 12.81000
1244 1 0.70000 21.35000 19.21500 14.94500
1245 1 0.70000 23.48500 17.08000 14.94500
1246 1 0.70000 23.48500 19.21500 12.81000
1247 2 -1.40000 22.41750 18.14750 13.87750
1248 2 -1.40000 24.55250 20.28250 16.01250
1249 1 0.70000 21.35000 17.08000 17.08000
1250 1 0.70000 21.35000 19.21500 19.21500
1251 1 0.70000 23.48500 17.08000 19.21500
1252 1 0.70000 23.48500 19.21500 17.08000
1253 2 -1.40000 22.41750 18.14750 18.14750
1254 2 -1.40000 24.55250 20.28250 20.28250
1255 1 0.70000 21.35000 17.08000 21.35000
1256 1 0.70000 21.35000 19.21500 23.48500
1257 1 0.70000 23.48500 17.08000 23.48500
1258 1 0.70000 23.48500 19.21500 21.35000
1259 2 -1.40000 22.41750 18.14750 22.41750
1260 2 -1.40000 24.55250 20.28250 24.55250
1261 1 0.70000 21.35000 21.35000 0.00000
1262 1 0.70000 21.35000 23.48500 2.13500
1263 1 0.70000 23.48500 21.35000 2.13500
1264 1 0.70000 23.48500 23.48500 0.00000
1265 2 -1.40000 22.41750 22.41750 1.06750
1266 2 -1.40000 24.55250 24.55250 3.20250
1267 1 0.70000 21.35000 21.35000 4.27000
1268 1 0.70000 21.35000 23.48500 6.40500
1269 1 0.70000 23.48500 21.35000 6.40500
1270 1 0.70000 23.48500 23.48500 4.27000
1271 2 -1.40000 22.41750 22.41750 5.33750
1272 2 -1.40000 24.55250 24.55250 7.47250
1273 1 0.70000 21.35000 21.35000 8.54000
1274 1 0.70000 21.35000 23.48500 10.67500
1275 1 0.70000 23.48500 21.35000 10.67500
1276 1 0.70000 23.48500 23.48500 8.54000
1277 2 -1.40000 22.41750 22.41750 9.60750
1278 2 -1.40000 24.55250 24.55250 11.74250
1279 1 0.70000 21.35000 21.35000 12.81000
1280 1 0.70000 21.35000 23.48500 14.94500
1281 1 0.70000 23.48500 21.35000 14.94500
1282 1 0.70000 23.48500 23.48500 12.81000
1283 2 -1.40000 22.41750 22.41750 13.87750
1284 2 -1.40000 24.55250 24.55250 16.01250
1285 1 0.70000 21.35000 21.35000 17.08000
1286 1 0.70000 21.35000 23.48500 19.21500
1287 1 0.70000 23.48500 21.35000 19.21500
1288 1 0.70000 23.48500 23.48500 17.08000
1289 2 -1.40000 22.41750 22.41750 18.14750
1290 2 -1.40000 24.55250 24.55250 20.28250
1291 1 0.70000 21.35000 21.35000 21.35000
1292 1 0.70000 21.35000 23.48500 23.48500
1293 1 0.70000 23.48500 21.35000 23.48500
1294 1 0.70000 23.48500 23.48500 21.35000
1295 2 -1.40000 22.41750 22.41750 22.41750
1296 2 -1.40000 24.55250 24.55250 24.55250