# CO2 lattice example 324 atoms 2 atom types 0 18.000 xlo xhi 0 18.000 ylo yhi 0 18.000 zlo zhi Masses 1 12.0107 2 15.9994 Atoms 1 2 0 -0.677809 -0.677809 -0.677809 2 1 0 0.000000 0.000000 0.000000 3 2 0 0.677809 0.677809 0.677809 4 2 0 3.677809 2.322191 -0.677809 5 1 0 3.000000 3.000000 0.000000 6 2 0 2.322191 3.677809 0.677809 7 2 0 2.322191 -0.677809 3.677809 8 1 0 3.000000 0.000000 3.000000 9 2 0 3.677809 0.677809 2.322191 10 2 0 0.677809 2.322191 3.677809 11 1 0 0.000000 3.000000 3.000000 12 2 0 -0.677809 3.677809 2.322191 13 2 0 -0.677809 -0.677809 5.322191 14 1 0 0.000000 0.000000 6.000000 15 2 0 0.677809 0.677809 6.677809 16 2 0 3.677809 2.322191 5.322191 17 1 0 3.000000 3.000000 6.000000 18 2 0 2.322191 3.677809 6.677809 19 2 0 2.322191 -0.677809 9.677809 20 1 0 3.000000 0.000000 9.000000 21 2 0 3.677809 0.677809 8.322191 22 2 0 0.677809 2.322191 9.677809 23 1 0 0.000000 3.000000 9.000000 24 2 0 -0.677809 3.677809 8.322191 25 2 0 -0.677809 -0.677809 11.322191 26 1 0 0.000000 0.000000 12.000000 27 2 0 0.677809 0.677809 12.677809 28 2 0 3.677809 2.322191 11.322191 29 1 0 3.000000 3.000000 12.000000 30 2 0 2.322191 3.677809 12.677809 31 2 0 2.322191 -0.677809 15.677809 32 1 0 3.000000 0.000000 15.000000 33 2 0 3.677809 0.677809 14.322191 34 2 0 0.677809 2.322191 15.677809 35 1 0 0.000000 3.000000 15.000000 36 2 0 -0.677809 3.677809 14.322191 37 2 0 -0.677809 5.322191 -0.677809 38 1 0 0.000000 6.000000 0.000000 39 2 0 0.677809 6.677809 0.677809 40 2 0 3.677809 8.322191 -0.677809 41 1 0 3.000000 9.000000 0.000000 42 2 0 2.322191 9.677809 0.677809 43 2 0 2.322191 5.322191 3.677809 44 1 0 3.000000 6.000000 3.000000 45 2 0 3.677809 6.677809 2.322191 46 2 0 0.677809 8.322191 3.677809 47 1 0 0.000000 9.000000 3.000000 48 2 0 -0.677809 9.677809 2.322191 49 2 0 -0.677809 5.322191 5.322191 50 1 0 0.000000 6.000000 6.000000 51 2 0 0.677809 6.677809 6.677809 52 2 0 3.677809 8.322191 5.322191 53 1 0 3.000000 9.000000 6.000000 54 2 0 2.322191 9.677809 6.677809 55 2 0 2.322191 5.322191 9.677809 56 1 0 3.000000 6.000000 9.000000 57 2 0 3.677809 6.677809 8.322191 58 2 0 0.677809 8.322191 9.677809 59 1 0 0.000000 9.000000 9.000000 60 2 0 -0.677809 9.677809 8.322191 61 2 0 -0.677809 5.322191 11.322191 62 1 0 0.000000 6.000000 12.000000 63 2 0 0.677809 6.677809 12.677809 64 2 0 3.677809 8.322191 11.322191 65 1 0 3.000000 9.000000 12.000000 66 2 0 2.322191 9.677809 12.677809 67 2 0 2.322191 5.322191 15.677809 68 1 0 3.000000 6.000000 15.000000 69 2 0 3.677809 6.677809 14.322191 70 2 0 0.677809 8.322191 15.677809 71 1 0 0.000000 9.000000 15.000000 72 2 0 -0.677809 9.677809 14.322191 73 2 0 -0.677809 11.322191 -0.677809 74 1 0 0.000000 12.000000 0.000000 75 2 0 0.677809 12.677809 0.677809 76 2 0 3.677809 14.322191 -0.677809 77 1 0 3.000000 15.000000 0.000000 78 2 0 2.322191 15.677809 0.677809 79 2 0 2.322191 11.322191 3.677809 80 1 0 3.000000 12.000000 3.000000 81 2 0 3.677809 12.677809 2.322191 82 2 0 0.677809 14.322191 3.677809 83 1 0 0.000000 15.000000 3.000000 84 2 0 -0.677809 15.677809 2.322191 85 2 0 -0.677809 11.322191 5.322191 86 1 0 0.000000 12.000000 6.000000 87 2 0 0.677809 12.677809 6.677809 88 2 0 3.677809 14.322191 5.322191 89 1 0 3.000000 15.000000 6.000000 90 2 0 2.322191 15.677809 6.677809 91 2 0 2.322191 11.322191 9.677809 92 1 0 3.000000 12.000000 9.000000 93 2 0 3.677809 12.677809 8.322191 94 2 0 0.677809 14.322191 9.677809 95 1 0 0.000000 15.000000 9.000000 96 2 0 -0.677809 15.677809 8.322191 97 2 0 -0.677809 11.322191 11.322191 98 1 0 0.000000 12.000000 12.000000 99 2 0 0.677809 12.677809 12.677809 100 2 0 3.677809 14.322191 11.322191 101 1 0 3.000000 15.000000 12.000000 102 2 0 2.322191 15.677809 12.677809 103 2 0 2.322191 11.322191 15.677809 104 1 0 3.000000 12.000000 15.000000 105 2 0 3.677809 12.677809 14.322191 106 2 0 0.677809 14.322191 15.677809 107 1 0 0.000000 15.000000 15.000000 108 2 0 -0.677809 15.677809 14.322191 109 2 0 5.322191 -0.677809 -0.677809 110 1 0 6.000000 0.000000 0.000000 111 2 0 6.677809 0.677809 0.677809 112 2 0 9.677809 2.322191 -0.677809 113 1 0 9.000000 3.000000 0.000000 114 2 0 8.322191 3.677809 0.677809 115 2 0 8.322191 -0.677809 3.677809 116 1 0 9.000000 0.000000 3.000000 117 2 0 9.677809 0.677809 2.322191 118 2 0 6.677809 2.322191 3.677809 119 1 0 6.000000 3.000000 3.000000 120 2 0 5.322191 3.677809 2.322191 121 2 0 5.322191 -0.677809 5.322191 122 1 0 6.000000 0.000000 6.000000 123 2 0 6.677809 0.677809 6.677809 124 2 0 9.677809 2.322191 5.322191 125 1 0 9.000000 3.000000 6.000000 126 2 0 8.322191 3.677809 6.677809 127 2 0 8.322191 -0.677809 9.677809 128 1 0 9.000000 0.000000 9.000000 129 2 0 9.677809 0.677809 8.322191 130 2 0 6.677809 2.322191 9.677809 131 1 0 6.000000 3.000000 9.000000 132 2 0 5.322191 3.677809 8.322191 133 2 0 5.322191 -0.677809 11.322191 134 1 0 6.000000 0.000000 12.000000 135 2 0 6.677809 0.677809 12.677809 136 2 0 9.677809 2.322191 11.322191 137 1 0 9.000000 3.000000 12.000000 138 2 0 8.322191 3.677809 12.677809 139 2 0 8.322191 -0.677809 15.677809 140 1 0 9.000000 0.000000 15.000000 141 2 0 9.677809 0.677809 14.322191 142 2 0 6.677809 2.322191 15.677809 143 1 0 6.000000 3.000000 15.000000 144 2 0 5.322191 3.677809 14.322191 145 2 0 5.322191 5.322191 -0.677809 146 1 0 6.000000 6.000000 0.000000 147 2 0 6.677809 6.677809 0.677809 148 2 0 9.677809 8.322191 -0.677809 149 1 0 9.000000 9.000000 0.000000 150 2 0 8.322191 9.677809 0.677809 151 2 0 8.322191 5.322191 3.677809 152 1 0 9.000000 6.000000 3.000000 153 2 0 9.677809 6.677809 2.322191 154 2 0 6.677809 8.322191 3.677809 155 1 0 6.000000 9.000000 3.000000 156 2 0 5.322191 9.677809 2.322191 157 2 0 5.322191 5.322191 5.322191 158 1 0 6.000000 6.000000 6.000000 159 2 0 6.677809 6.677809 6.677809 160 2 0 9.677809 8.322191 5.322191 161 1 0 9.000000 9.000000 6.000000 162 2 0 8.322191 9.677809 6.677809 163 2 0 8.322191 5.322191 9.677809 164 1 0 9.000000 6.000000 9.000000 165 2 0 9.677809 6.677809 8.322191 166 2 0 6.677809 8.322191 9.677809 167 1 0 6.000000 9.000000 9.000000 168 2 0 5.322191 9.677809 8.322191 169 2 0 5.322191 5.322191 11.322191 170 1 0 6.000000 6.000000 12.000000 171 2 0 6.677809 6.677809 12.677809 172 2 0 9.677809 8.322191 11.322191 173 1 0 9.000000 9.000000 12.000000 174 2 0 8.322191 9.677809 12.677809 175 2 0 8.322191 5.322191 15.677809 176 1 0 9.000000 6.000000 15.000000 177 2 0 9.677809 6.677809 14.322191 178 2 0 6.677809 8.322191 15.677809 179 1 0 6.000000 9.000000 15.000000 180 2 0 5.322191 9.677809 14.322191 181 2 0 5.322191 11.322191 -0.677809 182 1 0 6.000000 12.000000 0.000000 183 2 0 6.677809 12.677809 0.677809 184 2 0 9.677809 14.322191 -0.677809 185 1 0 9.000000 15.000000 0.000000 186 2 0 8.322191 15.677809 0.677809 187 2 0 8.322191 11.322191 3.677809 188 1 0 9.000000 12.000000 3.000000 189 2 0 9.677809 12.677809 2.322191 190 2 0 6.677809 14.322191 3.677809 191 1 0 6.000000 15.000000 3.000000 192 2 0 5.322191 15.677809 2.322191 193 2 0 5.322191 11.322191 5.322191 194 1 0 6.000000 12.000000 6.000000 195 2 0 6.677809 12.677809 6.677809 196 2 0 9.677809 14.322191 5.322191 197 1 0 9.000000 15.000000 6.000000 198 2 0 8.322191 15.677809 6.677809 199 2 0 8.322191 11.322191 9.677809 200 1 0 9.000000 12.000000 9.000000 201 2 0 9.677809 12.677809 8.322191 202 2 0 6.677809 14.322191 9.677809 203 1 0 6.000000 15.000000 9.000000 204 2 0 5.322191 15.677809 8.322191 205 2 0 5.322191 11.322191 11.322191 206 1 0 6.000000 12.000000 12.000000 207 2 0 6.677809 12.677809 12.677809 208 2 0 9.677809 14.322191 11.322191 209 1 0 9.000000 15.000000 12.000000 210 2 0 8.322191 15.677809 12.677809 211 2 0 8.322191 11.322191 15.677809 212 1 0 9.000000 12.000000 15.000000 213 2 0 9.677809 12.677809 14.322191 214 2 0 6.677809 14.322191 15.677809 215 1 0 6.000000 15.000000 15.000000 216 2 0 5.322191 15.677809 14.322191 217 2 0 11.322191 -0.677809 -0.677809 218 1 0 12.000000 0.000000 0.000000 219 2 0 12.677809 0.677809 0.677809 220 2 0 15.677809 2.322191 -0.677809 221 1 0 15.000000 3.000000 0.000000 222 2 0 14.322191 3.677809 0.677809 223 2 0 14.322191 -0.677809 3.677809 224 1 0 15.000000 0.000000 3.000000 225 2 0 15.677809 0.677809 2.322191 226 2 0 12.677809 2.322191 3.677809 227 1 0 12.000000 3.000000 3.000000 228 2 0 11.322191 3.677809 2.322191 229 2 0 11.322191 -0.677809 5.322191 230 1 0 12.000000 0.000000 6.000000 231 2 0 12.677809 0.677809 6.677809 232 2 0 15.677809 2.322191 5.322191 233 1 0 15.000000 3.000000 6.000000 234 2 0 14.322191 3.677809 6.677809 235 2 0 14.322191 -0.677809 9.677809 236 1 0 15.000000 0.000000 9.000000 237 2 0 15.677809 0.677809 8.322191 238 2 0 12.677809 2.322191 9.677809 239 1 0 12.000000 3.000000 9.000000 240 2 0 11.322191 3.677809 8.322191 241 2 0 11.322191 -0.677809 11.322191 242 1 0 12.000000 0.000000 12.000000 243 2 0 12.677809 0.677809 12.677809 244 2 0 15.677809 2.322191 11.322191 245 1 0 15.000000 3.000000 12.000000 246 2 0 14.322191 3.677809 12.677809 247 2 0 14.322191 -0.677809 15.677809 248 1 0 15.000000 0.000000 15.000000 249 2 0 15.677809 0.677809 14.322191 250 2 0 12.677809 2.322191 15.677809 251 1 0 12.000000 3.000000 15.000000 252 2 0 11.322191 3.677809 14.322191 253 2 0 11.322191 5.322191 -0.677809 254 1 0 12.000000 6.000000 0.000000 255 2 0 12.677809 6.677809 0.677809 256 2 0 15.677809 8.322191 -0.677809 257 1 0 15.000000 9.000000 0.000000 258 2 0 14.322191 9.677809 0.677809 259 2 0 14.322191 5.322191 3.677809 260 1 0 15.000000 6.000000 3.000000 261 2 0 15.677809 6.677809 2.322191 262 2 0 12.677809 8.322191 3.677809 263 1 0 12.000000 9.000000 3.000000 264 2 0 11.322191 9.677809 2.322191 265 2 0 11.322191 5.322191 5.322191 266 1 0 12.000000 6.000000 6.000000 267 2 0 12.677809 6.677809 6.677809 268 2 0 15.677809 8.322191 5.322191 269 1 0 15.000000 9.000000 6.000000 270 2 0 14.322191 9.677809 6.677809 271 2 0 14.322191 5.322191 9.677809 272 1 0 15.000000 6.000000 9.000000 273 2 0 15.677809 6.677809 8.322191 274 2 0 12.677809 8.322191 9.677809 275 1 0 12.000000 9.000000 9.000000 276 2 0 11.322191 9.677809 8.322191 277 2 0 11.322191 5.322191 11.322191 278 1 0 12.000000 6.000000 12.000000 279 2 0 12.677809 6.677809 12.677809 280 2 0 15.677809 8.322191 11.322191 281 1 0 15.000000 9.000000 12.000000 282 2 0 14.322191 9.677809 12.677809 283 2 0 14.322191 5.322191 15.677809 284 1 0 15.000000 6.000000 15.000000 285 2 0 15.677809 6.677809 14.322191 286 2 0 12.677809 8.322191 15.677809 287 1 0 12.000000 9.000000 15.000000 288 2 0 11.322191 9.677809 14.322191 289 2 0 11.322191 11.322191 -0.677809 290 1 0 12.000000 12.000000 0.000000 291 2 0 12.677809 12.677809 0.677809 292 2 0 15.677809 14.322191 -0.677809 293 1 0 15.000000 15.000000 0.000000 294 2 0 14.322191 15.677809 0.677809 295 2 0 14.322191 11.322191 3.677809 296 1 0 15.000000 12.000000 3.000000 297 2 0 15.677809 12.677809 2.322191 298 2 0 12.677809 14.322191 3.677809 299 1 0 12.000000 15.000000 3.000000 300 2 0 11.322191 15.677809 2.322191 301 2 0 11.322191 11.322191 5.322191 302 1 0 12.000000 12.000000 6.000000 303 2 0 12.677809 12.677809 6.677809 304 2 0 15.677809 14.322191 5.322191 305 1 0 15.000000 15.000000 6.000000 306 2 0 14.322191 15.677809 6.677809 307 2 0 14.322191 11.322191 9.677809 308 1 0 15.000000 12.000000 9.000000 309 2 0 15.677809 12.677809 8.322191 310 2 0 12.677809 14.322191 9.677809 311 1 0 12.000000 15.000000 9.000000 312 2 0 11.322191 15.677809 8.322191 313 2 0 11.322191 11.322191 11.322191 314 1 0 12.000000 12.000000 12.000000 315 2 0 12.677809 12.677809 12.677809 316 2 0 15.677809 14.322191 11.322191 317 1 0 15.000000 15.000000 12.000000 318 2 0 14.322191 15.677809 12.677809 319 2 0 14.322191 11.322191 15.677809 320 1 0 15.000000 12.000000 15.000000 321 2 0 15.677809 12.677809 14.322191 322 2 0 12.677809 14.322191 15.677809 323 1 0 12.000000 15.000000 15.000000 324 2 0 11.322191 15.677809 14.322191