element(s): ['C'] AFLOW prototype label: A_cF240_202_h2i Parameter names: ['a', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901'] model name: MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]] spacegroup = 202 cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]] ========================================= Step Time Energy fmax BFGS: 0 14:15:16 -1629.764945 1.6831 BFGS: 1 14:15:16 -1633.772192 0.3944 BFGS: 2 14:15:17 -1633.976311 0.1962 BFGS: 3 14:15:18 -1634.082931 0.1645 BFGS: 4 14:15:19 -1634.219516 0.2404 BFGS: 5 14:15:20 -1634.264652 0.1087 BFGS: 6 14:15:22 -1634.277149 0.0865 BFGS: 7 14:15:23 -1634.279670 0.0873 BFGS: 8 14:15:26 -1634.280795 0.0886 BFGS: 9 14:15:27 -1634.281802 0.0900 BFGS: 10 14:15:28 -1634.282796 0.0910 BFGS: 11 14:15:30 -1634.285509 0.0926 BFGS: 12 14:15:32 -1634.292167 0.0950 BFGS: 13 14:15:33 -1634.300472 0.0995 BFGS: 14 14:15:35 -1634.309679 0.1157 BFGS: 15 14:15:37 -1634.319586 0.1278 BFGS: 16 14:15:39 -1634.330004 0.1373 BFGS: 17 14:15:40 -1634.340803 0.1452 BFGS: 18 14:15:41 -1634.351895 0.1520 BFGS: 19 14:15:43 -1634.363220 0.1579 BFGS: 20 14:15:45 -1634.374731 0.1632 BFGS: 21 14:15:46 -1634.386397 0.1679 BFGS: 22 14:15:47 -1634.398193 0.1723 BFGS: 23 14:15:49 -1634.410097 0.1764 BFGS: 24 14:15:51 -1634.422095 0.1802 BFGS: 25 14:15:53 -1634.434173 0.1837 BFGS: 26 14:15:54 -1634.446320 0.1871 BFGS: 27 14:15:56 -1634.458528 0.1903 BFGS: 28 14:15:58 -1634.470787 0.1934 BFGS: 29 14:15:59 -1634.483091 0.1964 BFGS: 30 14:16:01 -1634.495433 0.1993 BFGS: 31 14:16:02 -1634.507807 0.2022 BFGS: 32 14:16:04 -1634.520208 0.2049 BFGS: 33 14:16:06 -1634.532631 0.2076 BFGS: 34 14:16:07 -1634.545069 0.2103 BFGS: 35 14:16:08 -1634.557519 0.2130 BFGS: 36 14:16:10 -1634.569972 0.2156 BFGS: 37 14:16:12 -1634.582382 0.2183 BFGS: 38 14:16:14 -1634.594684 0.2213 BFGS: 39 14:16:16 -1634.606784 0.2245 BFGS: 40 14:16:18 -1634.618541 0.2283 BFGS: 41 14:16:19 -1634.629708 0.2330 BFGS: 42 14:16:20 -1634.639906 0.2390 BFGS: 43 14:16:22 -1634.653023 0.2372 BFGS: 44 14:16:24 -1634.665184 0.2387 BFGS: 45 14:16:26 -1634.677519 0.2400 BFGS: 46 14:16:27 -1634.689984 0.2412 BFGS: 47 14:16:29 -1634.702548 0.2423 BFGS: 48 14:16:30 -1634.715187 0.2434 BFGS: 49 14:16:32 -1634.727883 0.2444 BFGS: 50 14:16:34 -1634.740623 0.2454 BFGS: 51 14:16:35 -1634.753391 0.2463 BFGS: 52 14:16:38 -1634.766177 0.2472 BFGS: 53 14:16:40 -1634.778967 0.2482 BFGS: 54 14:16:41 -1634.791772 0.2491 BFGS: 55 14:16:43 -1634.804599 0.2500 BFGS: 56 14:16:44 -1634.817457 0.2509 BFGS: 57 14:16:46 -1634.830352 0.2517 BFGS: 58 14:16:47 -1634.843291 0.2526 BFGS: 59 14:16:49 -1634.856279 0.2533 BFGS: 60 14:16:51 -1634.869322 0.2541 BFGS: 61 14:16:52 -1634.882423 0.2548 BFGS: 62 14:16:54 -1634.895586 0.2554 BFGS: 63 14:16:55 -1634.908813 0.2561 BFGS: 64 14:16:57 -1634.922107 0.2566 BFGS: 65 14:16:58 -1634.935468 0.2572 BFGS: 66 14:17:00 -1634.948898 0.2576 BFGS: 67 14:17:01 -1634.962396 0.2581 BFGS: 68 14:17:03 -1634.975963 0.2585 BFGS: 69 14:17:04 -1634.989598 0.2589 BFGS: 70 14:17:06 -1635.003299 0.2592 BFGS: 71 14:17:08 -1635.017067 0.2595 BFGS: 72 14:17:09 -1635.030898 0.2598 BFGS: 73 14:17:10 -1635.044792 0.2600 BFGS: 74 14:17:12 -1635.058747 0.2602 BFGS: 75 14:17:13 -1635.072761 0.2604 BFGS: 76 14:17:14 -1635.086833 0.2605 BFGS: 77 14:17:15 -1635.100960 0.2606 BFGS: 78 14:17:16 -1635.115140 0.2607 BFGS: 79 14:17:17 -1635.129372 0.2608 BFGS: 80 14:17:18 -1635.143655 0.2608 BFGS: 81 14:17:20 -1635.157985 0.2609 BFGS: 82 14:17:21 -1635.172361 0.2609 BFGS: 83 14:17:22 -1635.186782 0.2608 BFGS: 84 14:17:24 -1635.201246 0.2608 BFGS: 85 14:17:26 -1635.215752 0.2608 BFGS: 86 14:17:28 -1635.230297 0.2607 BFGS: 87 14:17:29 -1635.244881 0.2606 BFGS: 88 14:17:31 -1635.259502 0.2605 BFGS: 89 14:17:32 -1635.274159 0.2604 BFGS: 90 14:17:34 -1635.288850 0.2603 BFGS: 91 14:17:36 -1635.303574 0.2602 BFGS: 92 14:17:37 -1635.318331 0.2601 BFGS: 93 14:17:39 -1635.333118 0.2599 BFGS: 94 14:17:41 -1635.347936 0.2598 BFGS: 95 14:17:43 -1635.362783 0.2596 BFGS: 96 14:17:44 -1635.377658 0.2594 BFGS: 97 14:17:45 -1635.392560 0.2593 BFGS: 98 14:17:47 -1635.407489 0.2591 BFGS: 99 14:17:48 -1635.422444 0.2589 BFGS: 100 14:17:49 -1635.437423 0.2587 BFGS: 101 14:17:50 -1635.452427 0.2585 BFGS: 102 14:17:51 -1635.467455 0.2583 BFGS: 103 14:17:53 -1635.482505 0.2581 BFGS: 104 14:17:55 -1635.497578 0.2579 BFGS: 105 14:17:56 -1635.512673 0.2576 BFGS: 106 14:17:57 -1635.527790 0.2574 BFGS: 107 14:17:59 -1635.542927 0.2572 BFGS: 108 14:18:00 -1635.558085 0.2570 BFGS: 109 14:18:01 -1635.573263 0.2567 BFGS: 110 14:18:02 -1635.588460 0.2565 BFGS: 111 14:18:04 -1635.603677 0.2563 BFGS: 112 14:18:05 -1635.618912 0.2560 BFGS: 113 14:18:07 -1635.634167 0.2558 BFGS: 114 14:18:08 -1635.649439 0.2556 BFGS: 115 14:18:10 -1635.664729 0.2553 BFGS: 116 14:18:12 -1635.680037 0.2551 BFGS: 117 14:18:13 -1635.695362 0.2548 BFGS: 118 14:18:14 -1635.710704 0.2546 BFGS: 119 14:18:15 -1635.726064 0.2543 BFGS: 120 14:18:16 -1635.741439 0.2541 BFGS: 121 14:18:17 -1635.756831 0.2538 BFGS: 122 14:18:18 -1635.772240 0.2536 BFGS: 123 14:18:20 -1635.787664 0.2533 BFGS: 124 14:18:21 -1635.803104 0.2531 BFGS: 125 14:18:22 -1635.818560 0.2528 BFGS: 126 14:18:24 -1635.834031 0.2526 BFGS: 127 14:18:25 -1635.849517 0.2523 BFGS: 128 14:18:26 -1635.865019 0.2520 BFGS: 129 14:18:28 -1635.880535 0.2518 BFGS: 130 14:18:29 -1635.896067 0.2515 BFGS: 131 14:18:30 -1635.911613 0.2513 BFGS: 132 14:18:32 -1635.927174 0.2510 BFGS: 133 14:18:33 -1635.942749 0.2508 BFGS: 134 14:18:34 -1635.958339 0.2505 BFGS: 135 14:18:36 -1635.973943 0.2503 BFGS: 136 14:18:38 -1635.989561 0.2500 BFGS: 137 14:18:40 -1636.005194 0.2498 BFGS: 138 14:18:41 -1636.020840 0.2495 BFGS: 139 14:18:42 -1636.036500 0.2493 BFGS: 140 14:18:44 -1636.052175 0.2490 BFGS: 141 14:18:44 -1636.067863 0.2488 BFGS: 142 14:18:46 -1636.083564 0.2485 BFGS: 143 14:18:47 -1636.099280 0.2483 BFGS: 144 14:18:49 -1636.115008 0.2480 BFGS: 145 14:18:50 -1636.130751 0.2478 BFGS: 146 14:18:52 -1636.146507 0.2475 BFGS: 147 14:18:53 -1636.162276 0.2473 BFGS: 148 14:18:55 -1636.178058 0.2470 BFGS: 149 14:18:56 -1636.193854 0.2468 BFGS: 150 14:18:57 -1636.209663 0.2465 BFGS: 151 14:18:59 -1636.225486 0.2463 BFGS: 152 14:19:00 -1636.241321 0.2460 BFGS: 153 14:19:01 -1636.257169 0.2458 BFGS: 154 14:19:03 -1636.273031 0.2455 BFGS: 155 14:19:04 -1636.288905 0.2453 BFGS: 156 14:19:05 -1636.304793 0.2450 BFGS: 157 14:19:06 -1636.320693 0.2448 BFGS: 158 14:19:07 -1636.336607 0.2446 BFGS: 159 14:19:09 -1636.352533 0.2443 BFGS: 160 14:19:10 -1636.368472 0.2441 BFGS: 161 14:19:11 -1636.384424 0.2438 BFGS: 162 14:19:12 -1636.400388 0.2436 BFGS: 163 14:19:14 -1636.416366 0.2434 BFGS: 164 14:19:15 -1636.432356 0.2431 BFGS: 165 14:19:16 -1636.448359 0.2429 BFGS: 166 14:19:17 -1636.464374 0.2426 BFGS: 167 14:19:18 -1636.480402 0.2424 BFGS: 168 14:19:20 -1636.496443 0.2422 BFGS: 169 14:19:21 -1636.512496 0.2419 BFGS: 170 14:19:22 -1636.528562 0.2417 BFGS: 171 14:19:23 -1636.544640 0.2415 BFGS: 172 14:19:24 -1636.560731 0.2412 BFGS: 173 14:19:25 -1636.576835 0.2410 BFGS: 174 14:19:27 -1636.592950 0.2408 BFGS: 175 14:19:28 -1636.609079 0.2406 BFGS: 176 14:19:29 -1636.625220 0.2403 BFGS: 177 14:19:31 -1636.641373 0.2401 BFGS: 178 14:19:32 -1636.657539 0.2399 BFGS: 179 14:19:34 -1636.673717 0.2396 BFGS: 180 14:19:35 -1636.689908 0.2394 BFGS: 181 14:19:36 -1636.706111 0.2392 BFGS: 182 14:19:37 -1636.722326 0.2390 BFGS: 183 14:19:39 -1636.738554 0.2387 BFGS: 184 14:19:40 -1636.754794 0.2385 BFGS: 185 14:19:41 -1636.771046 0.2383 BFGS: 186 14:19:43 -1636.787311 0.2381 BFGS: 187 14:19:44 -1636.803588 0.2378 BFGS: 188 14:19:45 -1636.819878 0.2376 BFGS: 189 14:19:46 -1636.836179 0.2374 BFGS: 190 14:19:47 -1636.852493 0.2372 BFGS: 191 14:19:48 -1636.868820 0.2370 BFGS: 192 14:19:49 -1636.885159 0.2367 BFGS: 193 14:19:50 -1636.901510 0.2365 BFGS: 194 14:19:51 -1636.917873 0.2363 BFGS: 195 14:19:52 -1636.934248 0.2361 BFGS: 196 14:19:53 -1636.950636 0.2359 BFGS: 197 14:19:54 -1636.967036 0.2357 BFGS: 198 14:19:55 -1636.983449 0.2354 BFGS: 199 14:19:56 -1636.999874 0.2352 BFGS: 200 14:19:57 -1637.016311 0.2350 BFGS: 201 14:19:58 -1637.032760 0.2348 BFGS: 202 14:19:59 -1637.049221 0.2346 BFGS: 203 14:20:00 -1637.065695 0.2344 BFGS: 204 14:20:01 -1637.082181 0.2342 BFGS: 205 14:20:02 -1637.098680 0.2339 BFGS: 206 14:20:03 -1637.115191 0.2337 BFGS: 207 14:20:04 -1637.131714 0.2335 BFGS: 208 14:20:05 -1637.148249 0.2333 BFGS: 209 14:20:06 -1637.164797 0.2331 BFGS: 210 14:20:07 -1637.181357 0.2329 BFGS: 211 14:20:08 -1637.197929 0.2327 BFGS: 212 14:20:09 -1637.214514 0.2325 BFGS: 213 14:20:10 -1637.231111 0.2323 BFGS: 214 14:20:11 -1637.247720 0.2321 BFGS: 215 14:20:12 -1637.264342 0.2319 BFGS: 216 14:20:14 -1637.280976 0.2317 BFGS: 217 14:20:15 -1637.297622 0.2315 BFGS: 218 14:20:16 -1637.314281 0.2312 BFGS: 219 14:20:17 -1637.330952 0.2310 BFGS: 220 14:20:18 -1637.347636 0.2308 BFGS: 221 14:20:19 -1637.364332 0.2306 BFGS: 222 14:20:20 -1637.381040 0.2304 BFGS: 223 14:20:21 -1637.397761 0.2302 BFGS: 224 14:20:22 -1637.414495 0.2300 BFGS: 225 14:20:24 -1637.431241 0.2298 BFGS: 226 14:20:25 -1637.447999 0.2296 BFGS: 227 14:20:27 -1637.464770 0.2294 BFGS: 228 14:20:29 -1637.481554 0.2292 BFGS: 229 14:20:30 -1637.498350 0.2290 BFGS: 230 14:20:31 -1637.515158 0.2288 BFGS: 231 14:20:32 -1637.531980 0.2286 BFGS: 232 14:20:34 -1637.548814 0.2284 BFGS: 233 14:20:35 -1637.565660 0.2282 BFGS: 234 14:20:36 -1637.582519 0.2280 BFGS: 235 14:20:38 -1637.599391 0.2278 BFGS: 236 14:20:39 -1637.616276 0.2276 BFGS: 237 14:20:40 -1637.633173 0.2274 BFGS: 238 14:20:41 -1637.650084 0.2272 BFGS: 239 14:20:43 -1637.667006 0.2270 BFGS: 240 14:20:44 -1637.683942 0.2268 BFGS: 241 14:20:45 -1637.700891 0.2266 BFGS: 242 14:20:46 -1637.717852 0.2264 BFGS: 243 14:20:46 -1637.734827 0.2263 BFGS: 244 14:20:48 -1637.751814 0.2261 BFGS: 245 14:20:49 -1637.768815 0.2259 BFGS: 246 14:20:50 -1637.785828 0.2257 BFGS: 247 14:20:51 -1637.802855 0.2255 BFGS: 248 14:20:51 -1637.819894 0.2253 BFGS: 249 14:20:53 -1637.836947 0.2251 BFGS: 250 14:20:54 -1637.854013 0.2249 BFGS: 251 14:20:55 -1637.871092 0.2247 BFGS: 252 14:20:56 -1637.888184 0.2245 BFGS: 253 14:20:57 -1637.905289 0.2243 BFGS: 254 14:20:58 -1637.922408 0.2241 BFGS: 255 14:20:59 -1637.939540 0.2239 BFGS: 256 14:21:00 -1637.956686 0.2237 BFGS: 257 14:21:01 -1637.973845 0.2235 BFGS: 258 14:21:02 -1637.991018 0.2233 BFGS: 259 14:21:03 -1638.008204 0.2231 BFGS: 260 14:21:04 -1638.025403 0.2230 BFGS: 261 14:21:04 -1638.042616 0.2228 BFGS: 262 14:21:05 -1638.059843 0.2226 BFGS: 263 14:21:06 -1638.077084 0.2224 BFGS: 264 14:21:07 -1638.094338 0.2222 BFGS: 265 14:21:08 -1638.111607 0.2220 BFGS: 266 14:21:09 -1638.128889 0.2218 BFGS: 267 14:21:10 -1638.146185 0.2216 BFGS: 268 14:21:11 -1638.163495 0.2214 BFGS: 269 14:21:12 -1638.180819 0.2212 BFGS: 270 14:21:13 -1638.198157 0.2210 BFGS: 271 14:21:14 -1638.215509 0.2208 BFGS: 272 14:21:15 -1638.232876 0.2206 BFGS: 273 14:21:16 -1638.250256 0.2205 BFGS: 274 14:21:17 -1638.267651 0.2203 BFGS: 275 14:21:19 -1638.285061 0.2201 BFGS: 276 14:21:20 -1638.302485 0.2199 BFGS: 277 14:21:21 -1638.319923 0.2197 BFGS: 278 14:21:22 -1638.337376 0.2195 BFGS: 279 14:21:23 -1638.354844 0.2193 BFGS: 280 14:21:24 -1638.372326 0.2191 BFGS: 281 14:21:25 -1638.389823 0.2189 BFGS: 282 14:21:26 -1638.407335 0.2187 BFGS: 283 14:21:26 -1638.424862 0.2185 BFGS: 284 14:21:27 -1638.442404 0.2183 BFGS: 285 14:21:29 -1638.459961 0.2182 BFGS: 286 14:21:30 -1638.477533 0.2180 BFGS: 287 14:21:31 -1638.495120 0.2178 BFGS: 288 14:21:32 -1638.512722 0.2176 BFGS: 289 14:21:34 -1638.530340 0.2174 BFGS: 290 14:21:36 -1638.547973 0.2172 BFGS: 291 14:21:37 -1638.565622 0.2170 BFGS: 292 14:21:39 -1638.583287 0.2168 BFGS: 293 14:21:40 -1638.600967 0.2166 BFGS: 294 14:21:42 -1638.618663 0.2164 BFGS: 295 14:21:43 -1638.636374 0.2162 BFGS: 296 14:21:45 -1638.654102 0.2160 BFGS: 297 14:21:46 -1638.671846 0.2158 BFGS: 298 14:21:47 -1638.689605 0.2156 BFGS: 299 14:21:48 -1638.707381 0.2154 BFGS: 300 14:21:49 -1638.725173 0.2153 BFGS: 301 14:21:50 -1638.742982 0.2151 BFGS: 302 14:21:51 -1638.760807 0.2149 BFGS: 303 14:21:52 -1638.778648 0.2147 BFGS: 304 14:21:53 -1638.796507 0.2145 BFGS: 305 14:21:54 -1638.814381 0.2143 BFGS: 306 14:21:55 -1638.832273 0.2141 BFGS: 307 14:21:56 -1638.850182 0.2139 BFGS: 308 14:21:58 -1638.868108 0.2137 BFGS: 309 14:21:59 -1638.886051 0.2135 BFGS: 310 14:22:00 -1638.904011 0.2133 BFGS: 311 14:22:01 -1638.921988 0.2131 BFGS: 312 14:22:03 -1638.939983 0.2129 BFGS: 313 14:22:04 -1638.957995 0.2127 BFGS: 314 14:22:05 -1638.976026 0.2125 BFGS: 315 14:22:06 -1638.994073 0.2123 BFGS: 316 14:22:07 -1639.012139 0.2121 BFGS: 317 14:22:09 -1639.030223 0.2119 BFGS: 318 14:22:10 -1639.048325 0.2117 BFGS: 319 14:22:11 -1639.066444 0.2115 BFGS: 320 14:22:12 -1639.084583 0.2113 BFGS: 321 14:22:13 -1639.102739 0.2111 BFGS: 322 14:22:14 -1639.120915 0.2109 BFGS: 323 14:22:15 -1639.139109 0.2107 BFGS: 324 14:22:16 -1639.157321 0.2105 BFGS: 325 14:22:18 -1639.175553 0.2103 BFGS: 326 14:22:18 -1639.193804 0.2101 BFGS: 327 14:22:20 -1639.212073 0.2099 BFGS: 328 14:22:21 -1639.230362 0.2097 BFGS: 329 14:22:21 -1639.248671 0.2095 BFGS: 330 14:22:22 -1639.266999 0.2093 BFGS: 331 14:22:23 -1639.285346 0.2091 BFGS: 332 14:22:25 -1639.303714 0.2089 BFGS: 333 14:22:25 -1639.322101 0.2087 BFGS: 334 14:22:26 -1639.340508 0.2085 BFGS: 335 14:22:27 -1639.358936 0.2083 BFGS: 336 14:22:28 -1639.377383 0.2081 BFGS: 337 14:22:30 -1639.395851 0.2079 BFGS: 338 14:22:31 -1639.414340 0.2077 BFGS: 339 14:22:31 -1639.432850 0.2074 BFGS: 340 14:22:32 -1639.451380 0.2072 BFGS: 341 14:22:33 -1639.469931 0.2070 BFGS: 342 14:22:34 -1639.488503 0.2068 BFGS: 343 14:22:35 -1639.507097 0.2066 BFGS: 344 14:22:36 -1639.525712 0.2064 BFGS: 345 14:22:36 -1639.544348 0.2062 BFGS: 346 14:22:37 -1639.563006 0.2060 BFGS: 347 14:22:39 -1639.581686 0.2058 BFGS: 348 14:22:40 -1639.600388 0.2056 BFGS: 349 14:22:41 -1639.619112 0.2054 BFGS: 350 14:22:42 -1639.637859 0.2052 BFGS: 351 14:22:43 -1639.656627 0.2049 BFGS: 352 14:22:44 -1639.675419 0.2047 BFGS: 353 14:22:45 -1639.694233 0.2045 BFGS: 354 14:22:47 -1639.713069 0.2043 BFGS: 355 14:22:48 -1639.731929 0.2041 BFGS: 356 14:22:49 -1639.750812 0.2039 BFGS: 357 14:22:51 -1639.769719 0.2037 BFGS: 358 14:22:52 -1639.788648 0.2035 BFGS: 359 14:22:53 -1639.807602 0.2032 BFGS: 360 14:22:55 -1639.826579 0.2030 BFGS: 361 14:22:56 -1639.845580 0.2028 BFGS: 362 14:22:58 -1639.864605 0.2026 BFGS: 363 14:22:59 -1639.883655 0.2024 BFGS: 364 14:23:00 -1639.902729 0.2022 BFGS: 365 14:23:01 -1639.921827 0.2019 BFGS: 366 14:23:02 -1639.940950 0.2017 BFGS: 367 14:23:03 -1639.960098 0.2015 BFGS: 368 14:23:04 -1639.979271 0.2013 BFGS: 369 14:23:05 -1639.998470 0.2011 BFGS: 370 14:23:06 -1640.017693 0.2009 BFGS: 371 14:23:07 -1640.036943 0.2006 BFGS: 372 14:23:08 -1640.056217 0.2004 BFGS: 373 14:23:09 -1640.075518 0.2002 BFGS: 374 14:23:10 -1640.094845 0.2000 BFGS: 375 14:23:10 -1640.114198 0.1998 BFGS: 376 14:23:11 -1640.133578 0.1995 BFGS: 377 14:23:12 -1640.152984 0.1993 BFGS: 378 14:23:13 -1640.172416 0.1991 BFGS: 379 14:23:14 -1640.191876 0.1989 BFGS: 380 14:23:15 -1640.211362 0.1987 BFGS: 381 14:23:16 -1640.230876 0.1984 BFGS: 382 14:23:17 -1640.250417 0.1982 BFGS: 383 14:23:18 -1640.269986 0.1980 BFGS: 384 14:23:19 -1640.289582 0.1978 BFGS: 385 14:23:20 -1640.309206 0.1976 BFGS: 386 14:23:21 -1640.328858 0.1973 BFGS: 387 14:23:22 -1640.348539 0.1971 BFGS: 388 14:23:23 -1640.368247 0.1969 BFGS: 389 14:23:24 -1640.387985 0.1967 BFGS: 390 14:23:25 -1640.407751 0.1965 BFGS: 391 14:23:26 -1640.427545 0.1962 BFGS: 392 14:23:27 -1640.447369 0.1960 BFGS: 393 14:23:28 -1640.467222 0.1958 BFGS: 394 14:23:29 -1640.487105 0.1956 BFGS: 395 14:23:31 -1640.507016 0.1954 BFGS: 396 14:23:32 -1640.526958 0.1951 BFGS: 397 14:23:33 -1640.546929 0.1949 BFGS: 398 14:23:34 -1640.566931 0.1947 BFGS: 399 14:23:35 -1640.586962 0.1945 BFGS: 400 14:23:36 -1640.607024 0.1943 BFGS: 401 14:23:37 -1640.627116 0.1940 BFGS: 402 14:23:38 -1640.647239 0.1938 BFGS: 403 14:23:39 -1640.667393 0.1936 BFGS: 404 14:23:40 -1640.687577 0.1934 BFGS: 405 14:23:41 -1640.707793 0.1932 BFGS: 406 14:23:42 -1640.728040 0.1929 BFGS: 407 14:23:42 -1640.748318 0.1927 BFGS: 408 14:23:44 -1640.768628 0.1925 BFGS: 409 14:23:45 -1640.788969 0.1923 BFGS: 410 14:23:46 -1640.809342 0.1921 BFGS: 411 14:23:47 -1640.829748 0.1919 BFGS: 412 14:23:48 -1640.850185 0.1916 BFGS: 413 14:23:49 -1640.870654 0.1914 BFGS: 414 14:23:50 -1640.891156 0.1912 BFGS: 415 14:23:51 -1640.911691 0.1910 BFGS: 416 14:23:51 -1640.932258 0.1908 BFGS: 417 14:23:53 -1640.952857 0.1906 BFGS: 418 14:23:54 -1640.973490 0.1904 BFGS: 419 14:23:55 -1640.994156 0.1901 BFGS: 420 14:23:56 -1641.014854 0.1899 BFGS: 421 14:23:57 -1641.035586 0.1897 BFGS: 422 14:23:58 -1641.056352 0.1895 BFGS: 423 14:23:59 -1641.077150 0.1893 BFGS: 424 14:24:00 -1641.097983 0.1891 BFGS: 425 14:24:01 -1641.118848 0.1889 BFGS: 426 14:24:02 -1641.139748 0.1887 BFGS: 427 14:24:03 -1641.160682 0.1885 BFGS: 428 14:24:05 -1641.181649 0.1883 BFGS: 429 14:24:06 -1641.202650 0.1881 BFGS: 430 14:24:07 -1641.223686 0.1879 BFGS: 431 14:24:09 -1641.244756 0.1877 BFGS: 432 14:24:10 -1641.265859 0.1875 BFGS: 433 14:24:10 -1641.286998 0.1873 BFGS: 434 14:24:11 -1641.308170 0.1871 BFGS: 435 14:24:13 -1641.329377 0.1869 BFGS: 436 14:24:13 -1641.350618 0.1867 BFGS: 437 14:24:14 -1641.371894 0.1865 BFGS: 438 14:24:16 -1641.393204 0.1863 BFGS: 439 14:24:16 -1641.414549 0.1862 BFGS: 440 14:24:18 -1641.435928 0.1860 BFGS: 441 14:24:18 -1641.457342 0.1858 BFGS: 442 14:24:19 -1641.478791 0.1856 BFGS: 443 14:24:20 -1641.500274 0.1854 BFGS: 444 14:24:21 -1641.521792 0.1853 BFGS: 445 14:24:22 -1641.543344 0.1851 BFGS: 446 14:24:23 -1641.564931 0.1849 BFGS: 447 14:24:24 -1641.586552 0.1847 BFGS: 448 14:24:25 -1641.608208 0.1846 BFGS: 449 14:24:26 -1641.629898 0.1844 BFGS: 450 14:24:26 -1641.651622 0.1842 BFGS: 451 14:24:27 -1641.673381 0.1841 BFGS: 452 14:24:28 -1641.695174 0.1839 BFGS: 453 14:24:29 -1641.717001 0.1838 BFGS: 454 14:24:31 -1641.738862 0.1836 BFGS: 455 14:24:32 -1641.760757 0.1835 BFGS: 456 14:24:34 -1641.782685 0.1833 BFGS: 457 14:24:35 -1641.804648 0.1832 BFGS: 458 14:24:36 -1641.826643 0.1831 BFGS: 459 14:24:37 -1641.848673 0.1829 BFGS: 460 14:24:37 -1641.870735 0.1828 BFGS: 461 14:24:38 -1641.892830 0.1827 BFGS: 462 14:24:39 -1641.914958 0.1825 BFGS: 463 14:24:40 -1641.937119 0.1824 BFGS: 464 14:24:41 -1641.959312 0.1823 BFGS: 465 14:24:42 -1641.981537 0.1822 BFGS: 466 14:24:43 -1642.003794 0.1821 BFGS: 467 14:24:44 -1642.026082 0.1820 BFGS: 468 14:24:45 -1642.048402 0.1819 BFGS: 469 14:24:46 -1642.070753 0.1818 BFGS: 470 14:24:47 -1642.093134 0.1817 BFGS: 471 14:24:48 -1642.115546 0.1816 BFGS: 472 14:24:50 -1642.137988 0.1815 BFGS: 473 14:24:51 -1642.160459 0.1814 BFGS: 474 14:24:51 -1642.182960 0.1814 BFGS: 475 14:24:52 -1642.205489 0.1813 BFGS: 476 14:24:53 -1642.228047 0.1812 BFGS: 477 14:24:54 -1642.250633 0.1812 BFGS: 478 14:24:55 -1642.273246 0.1811 BFGS: 479 14:24:56 -1642.295886 0.1811 BFGS: 480 14:24:57 -1642.318553 0.1810 BFGS: 481 14:24:58 -1642.341245 0.1810 BFGS: 482 14:24:59 -1642.363963 0.1810 BFGS: 483 14:25:01 -1642.386706 0.1809 BFGS: 484 14:25:01 -1642.409473 0.1809 BFGS: 485 14:25:03 -1642.432264 0.1809 BFGS: 486 14:25:04 -1642.455077 0.1809 BFGS: 487 14:25:05 -1642.477913 0.1809 BFGS: 488 14:25:07 -1642.500770 0.1809 BFGS: 489 14:25:09 -1642.523648 0.1810 BFGS: 490 14:25:11 -1642.546546 0.1810 BFGS: 491 14:25:12 -1642.569463 0.1810 BFGS: 492 14:25:13 -1642.592398 0.1811 BFGS: 493 14:25:14 -1642.615351 0.1811 BFGS: 494 14:25:16 -1642.638321 0.1812 BFGS: 495 14:25:17 -1642.661306 0.1812 BFGS: 496 14:25:18 -1642.684307 0.1813 BFGS: 497 14:25:20 -1642.707321 0.1814 BFGS: 498 14:25:21 -1642.730347 0.1815 BFGS: 499 14:25:22 -1642.753386 0.1816 BFGS: 500 14:25:23 -1642.776435 0.1817 BFGS: 501 14:25:24 -1642.799494 0.1818 BFGS: 502 14:25:26 -1642.822561 0.1819 BFGS: 503 14:25:27 -1642.845637 0.1821 BFGS: 504 14:25:28 -1642.868721 0.1822 BFGS: 505 14:25:29 -1642.891813 0.1824 BFGS: 506 14:25:30 -1642.914914 0.1825 BFGS: 507 14:25:31 -1642.938022 0.1826 BFGS: 508 14:25:33 -1642.961137 0.1828 BFGS: 509 14:25:34 -1642.984258 0.1829 BFGS: 510 14:25:37 -1643.007385 0.1830 BFGS: 511 14:25:38 -1643.030515 0.1832 BFGS: 512 14:25:40 -1643.053648 0.1833 BFGS: 513 14:25:41 -1643.076784 0.1834 BFGS: 514 14:25:43 -1643.099921 0.1835 BFGS: 515 14:25:44 -1643.123059 0.1837 BFGS: 516 14:25:45 -1643.146195 0.1838 BFGS: 517 14:25:47 -1643.169329 0.1839 BFGS: 518 14:25:48 -1643.192460 0.1840 BFGS: 519 14:25:49 -1643.215586 0.1840 BFGS: 520 14:25:50 -1643.238707 0.1841 BFGS: 521 14:25:51 -1643.261820 0.1842 BFGS: 522 14:25:52 -1643.284924 0.1843 BFGS: 523 14:25:53 -1643.308019 0.1843 BFGS: 524 14:25:54 -1643.331102 0.1844 BFGS: 525 14:25:55 -1643.354172 0.1844 BFGS: 526 14:25:56 -1643.377228 0.1844 BFGS: 527 14:25:57 -1643.400267 0.1844 BFGS: 528 14:25:58 -1643.423288 0.1844 BFGS: 529 14:25:59 -1643.446290 0.1844 BFGS: 530 14:26:00 -1643.469271 0.1844 BFGS: 531 14:26:00 -1643.492228 0.1844 BFGS: 532 14:26:01 -1643.515161 0.1843 BFGS: 533 14:26:02 -1643.538066 0.1843 BFGS: 534 14:26:03 -1643.560943 0.1842 BFGS: 535 14:26:04 -1643.583789 0.1841 BFGS: 536 14:26:05 -1643.606602 0.1840 BFGS: 537 14:26:06 -1643.629381 0.1839 BFGS: 538 14:26:07 -1643.652122 0.1838 BFGS: 539 14:26:08 -1643.674824 0.1836 BFGS: 540 14:26:09 -1643.697484 0.1835 BFGS: 541 14:26:10 -1643.720100 0.1833 BFGS: 542 14:26:11 -1643.742671 0.1831 BFGS: 543 14:26:12 -1643.765192 0.1829 BFGS: 544 14:26:13 -1643.787662 0.1826 BFGS: 545 14:26:14 -1643.810079 0.1824 BFGS: 546 14:26:15 -1643.832440 0.1821 BFGS: 547 14:26:16 -1643.854741 0.1818 BFGS: 548 14:26:17 -1643.876981 0.1815 BFGS: 549 14:26:18 -1643.899157 0.1811 BFGS: 550 14:26:19 -1643.921265 0.1808 BFGS: 551 14:26:20 -1643.943304 0.1804 BFGS: 552 14:26:20 -1643.965269 0.1800 BFGS: 553 14:26:21 -1643.987159 0.1795 BFGS: 554 14:26:22 -1644.008969 0.1791 BFGS: 555 14:26:23 -1644.030698 0.1786 BFGS: 556 14:26:24 -1644.052341 0.1781 BFGS: 557 14:26:25 -1644.073895 0.1775 BFGS: 558 14:26:26 -1644.095358 0.1770 BFGS: 559 14:26:28 -1644.116726 0.1764 BFGS: 560 14:26:29 -1644.137995 0.1758 BFGS: 561 14:26:30 -1644.159161 0.1751 BFGS: 562 14:26:31 -1644.180222 0.1744 BFGS: 563 14:26:33 -1644.201174 0.1737 BFGS: 564 14:26:34 -1644.222013 0.1730 BFGS: 565 14:26:35 -1644.242734 0.1722 BFGS: 566 14:26:36 -1644.263336 0.1714 BFGS: 567 14:26:37 -1644.283812 0.1705 BFGS: 568 14:26:38 -1644.304160 0.1696 BFGS: 569 14:26:39 -1644.324376 0.1687 BFGS: 570 14:26:40 -1644.344455 0.1678 BFGS: 571 14:26:41 -1644.364392 0.1668 BFGS: 572 14:26:42 -1644.384185 0.1658 BFGS: 573 14:26:43 -1644.403828 0.1647 BFGS: 574 14:26:44 -1644.423317 0.1636 BFGS: 575 14:26:46 -1644.442648 0.1624 BFGS: 576 14:26:47 -1644.461815 0.1613 BFGS: 577 14:26:48 -1644.480815 0.1600 BFGS: 578 14:26:49 -1644.499642 0.1588 BFGS: 579 14:26:50 -1644.518292 0.1574 BFGS: 580 14:26:52 -1644.536760 0.1561 BFGS: 581 14:26:53 -1644.555040 0.1547 BFGS: 582 14:26:55 -1644.573128 0.1532 BFGS: 583 14:26:55 -1644.591019 0.1517 BFGS: 584 14:26:57 -1644.608706 0.1502 BFGS: 585 14:26:57 -1644.626185 0.1486 BFGS: 586 14:26:58 -1644.643451 0.1469 BFGS: 587 14:26:59 -1644.660497 0.1452 BFGS: 588 14:27:00 -1644.677318 0.1435 BFGS: 589 14:27:02 -1644.693909 0.1417 BFGS: 590 14:27:03 -1644.710263 0.1398 BFGS: 591 14:27:04 -1644.726374 0.1379 BFGS: 592 14:27:05 -1644.742236 0.1360 BFGS: 593 14:27:07 -1644.757844 0.1339 BFGS: 594 14:27:08 -1644.773190 0.1318 BFGS: 595 14:27:10 -1644.788269 0.1297 BFGS: 596 14:27:10 -1644.803073 0.1275 BFGS: 597 14:27:11 -1644.817597 0.1252 BFGS: 598 14:27:12 -1644.831832 0.1229 BFGS: 599 14:27:13 -1644.845773 0.1205 BFGS: 600 14:27:14 -1644.859411 0.1180 BFGS: 601 14:27:15 -1644.872741 0.1155 BFGS: 602 14:27:16 -1644.885753 0.1129 BFGS: 603 14:27:18 -1644.898441 0.1102 BFGS: 604 14:27:19 -1644.910797 0.1075 BFGS: 605 14:27:20 -1644.922813 0.1047 BFGS: 606 14:27:21 -1644.934480 0.1018 BFGS: 607 14:27:23 -1644.945790 0.0988 BFGS: 608 14:27:24 -1644.956735 0.0957 BFGS: 609 14:27:25 -1644.967306 0.0926 BFGS: 610 14:27:27 -1644.977493 0.0894 BFGS: 611 14:27:28 -1644.987288 0.0861 BFGS: 612 14:27:29 -1644.996680 0.0827 BFGS: 613 14:27:30 -1645.005660 0.0792 BFGS: 614 14:27:31 -1645.014216 0.0756 BFGS: 615 14:27:32 -1645.022339 0.0719 BFGS: 616 14:27:33 -1645.030017 0.0681 BFGS: 617 14:27:34 -1645.037237 0.0641 BFGS: 618 14:27:35 -1645.043989 0.0601 BFGS: 619 14:27:36 -1645.050258 0.0559 BFGS: 620 14:27:37 -1645.056032 0.0516 BFGS: 621 14:27:38 -1645.061295 0.0472 BFGS: 622 14:27:39 -1645.066031 0.0426 BFGS: 623 14:27:40 -1645.070224 0.0385 BFGS: 624 14:27:41 -1645.073854 0.0358 BFGS: 625 14:27:42 -1645.076901 0.0328 BFGS: 626 14:27:43 -1645.079340 0.0293 BFGS: 627 14:27:44 -1645.081147 0.0251 BFGS: 628 14:27:45 -1645.082294 0.0195 BFGS: 629 14:27:47 -1645.082749 0.0151 BFGS: 630 14:27:48 -1645.083272 0.0097 BFGS: 631 14:27:49 -1645.083963 0.0039 BFGS: 632 14:27:50 -1645.084268 0.0026 BFGS: 633 14:27:51 -1645.084331 0.0018 BFGS: 634 14:27:52 -1645.084338 0.0016 BFGS: 635 14:27:53 -1645.084342 0.0014 BFGS: 636 14:27:54 -1645.084348 0.0008 BFGS: 637 14:27:55 -1645.084351 0.0003 BFGS: 638 14:27:56 -1645.084351 0.0001 BFGS: 639 14:27:57 -1645.084351 0.0000 BFGS: 640 14:27:58 -1645.084351 0.0000 BFGS: 641 14:27:59 -1645.084351 0.0000 BFGS: 642 14:28:00 -1645.084351 0.0000 BFGS: 643 14:28:01 -1645.084351 0.0000 BFGS: 644 14:28:02 -1645.084351 0.0000 BFGS: 645 14:28:03 -1645.084351 0.0000 BFGS: 646 14:28:03 -1645.084351 0.0000 BFGS: 647 14:28:04 -1645.084351 0.0000 Minimization converged after 647 steps. Maximum force component: 6.4965999478176346e-09 eV/Angstrom Maximum stress component: 7.812252464463065e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 5.16592489e-02 7.34867272e-01] [8.36517066e-36 9.48340751e-01 7.34867272e-01] [0.00000000e+00 5.16592489e-02 2.65132728e-01] [0.00000000e+00 9.48340751e-01 2.65132728e-01] [7.34867272e-01 1.00000000e+00 5.16592489e-02] [7.34867272e-01 1.00000000e+00 9.48340751e-01] [2.65132728e-01 1.00000000e+00 5.16592489e-02] [2.65132728e-01 1.00000000e+00 9.48340751e-01] [5.16592489e-02 7.34867272e-01 0.00000000e+00] [9.48340751e-01 7.34867272e-01 7.56255115e-36] [5.16592489e-02 2.65132728e-01 0.00000000e+00] [9.48340751e-01 2.65132728e-01 0.00000000e+00] [0.00000000e+00 5.51659249e-01 2.34867272e-01] [2.84640208e-35 4.48340751e-01 2.34867272e-01] [0.00000000e+00 5.51659249e-01 7.65132728e-01] [1.41757173e-35 4.48340751e-01 7.65132728e-01] [7.34867272e-01 5.00000000e-01 5.51659249e-01] [7.34867272e-01 5.00000000e-01 4.48340751e-01] [2.65132728e-01 5.00000000e-01 5.51659249e-01] [2.65132728e-01 5.00000000e-01 4.48340751e-01] [5.16592489e-02 2.34867272e-01 5.00000000e-01] [9.48340751e-01 2.34867272e-01 5.00000000e-01] [5.16592489e-02 7.65132728e-01 5.00000000e-01] [9.48340751e-01 7.65132728e-01 5.00000000e-01] [5.00000000e-01 5.16592489e-02 2.34867272e-01] [5.00000000e-01 9.48340751e-01 2.34867272e-01] [5.00000000e-01 5.16592489e-02 7.65132728e-01] [5.00000000e-01 9.48340751e-01 7.65132728e-01] [2.34867272e-01 1.00000000e+00 5.51659249e-01] [2.34867272e-01 1.00000000e+00 4.48340751e-01] [7.65132728e-01 1.00000000e+00 5.51659249e-01] [7.65132728e-01 1.00000000e+00 4.48340751e-01] [5.51659249e-01 7.34867272e-01 5.00000000e-01] [4.48340751e-01 7.34867272e-01 5.00000000e-01] [5.51659249e-01 2.65132728e-01 5.00000000e-01] [4.48340751e-01 2.65132728e-01 5.00000000e-01] [5.00000000e-01 5.51659249e-01 7.34867272e-01] [5.00000000e-01 4.48340751e-01 7.34867272e-01] [5.00000000e-01 5.51659249e-01 2.65132728e-01] [5.00000000e-01 4.48340751e-01 2.65132728e-01] [2.34867272e-01 5.00000000e-01 5.16592489e-02] [2.34867272e-01 5.00000000e-01 9.48340751e-01] [7.65132728e-01 5.00000000e-01 5.16592489e-02] [7.65132728e-01 5.00000000e-01 9.48340751e-01] [5.51659249e-01 2.34867272e-01 0.00000000e+00] [4.48340751e-01 2.34867272e-01 7.56581438e-36] [5.51659249e-01 7.65132728e-01 0.00000000e+00] [4.48340751e-01 7.65132728e-01 0.00000000e+00] [6.09368373e-01 7.65872686e-01 5.93041361e-01] [3.90631627e-01 2.34127314e-01 5.93041361e-01] [3.90631627e-01 7.65872686e-01 4.06958639e-01] [6.09368373e-01 2.34127314e-01 4.06958639e-01] [5.93041361e-01 6.09368373e-01 7.65872686e-01] [5.93041361e-01 3.90631627e-01 2.34127314e-01] [4.06958639e-01 3.90631627e-01 7.65872686e-01] [4.06958639e-01 6.09368373e-01 2.34127314e-01] [7.65872686e-01 5.93041361e-01 6.09368373e-01] [2.34127314e-01 5.93041361e-01 3.90631627e-01] [7.65872686e-01 4.06958639e-01 3.90631627e-01] [2.34127314e-01 4.06958639e-01 6.09368373e-01] [6.09368373e-01 2.65872686e-01 9.30413609e-02] [3.90631627e-01 7.34127314e-01 9.30413609e-02] [3.90631627e-01 2.65872686e-01 9.06958639e-01] [6.09368373e-01 7.34127314e-01 9.06958639e-01] [5.93041361e-01 1.09368373e-01 2.65872686e-01] [5.93041361e-01 8.90631627e-01 7.34127314e-01] [4.06958639e-01 8.90631627e-01 2.65872686e-01] [4.06958639e-01 1.09368373e-01 7.34127314e-01] [7.65872686e-01 9.30413609e-02 1.09368373e-01] [2.34127314e-01 9.30413609e-02 8.90631627e-01] [7.65872686e-01 9.06958639e-01 8.90631627e-01] [2.34127314e-01 9.06958639e-01 1.09368373e-01] [1.09368373e-01 7.65872686e-01 9.30413609e-02] [8.90631627e-01 2.34127314e-01 9.30413609e-02] [8.90631627e-01 7.65872686e-01 9.06958639e-01] [1.09368373e-01 2.34127314e-01 9.06958639e-01] [9.30413609e-02 6.09368373e-01 2.65872686e-01] [9.30413609e-02 3.90631627e-01 7.34127314e-01] [9.06958639e-01 3.90631627e-01 2.65872686e-01] [9.06958639e-01 6.09368373e-01 7.34127314e-01] [2.65872686e-01 5.93041361e-01 1.09368373e-01] [7.34127314e-01 5.93041361e-01 8.90631627e-01] [2.65872686e-01 4.06958639e-01 8.90631627e-01] [7.34127314e-01 4.06958639e-01 1.09368373e-01] [1.09368373e-01 2.65872686e-01 5.93041361e-01] [8.90631627e-01 7.34127314e-01 5.93041361e-01] [8.90631627e-01 2.65872686e-01 4.06958639e-01] [1.09368373e-01 7.34127314e-01 4.06958639e-01] [9.30413609e-02 1.09368373e-01 7.65872686e-01] [9.30413609e-02 8.90631627e-01 2.34127314e-01] [9.06958639e-01 8.90631627e-01 7.65872686e-01] [9.06958639e-01 1.09368373e-01 2.34127314e-01] [2.65872686e-01 9.30413609e-02 6.09368373e-01] [7.34127314e-01 9.30413609e-02 3.90631627e-01] [2.65872686e-01 9.06958639e-01 3.90631627e-01] [7.34127314e-01 9.06958639e-01 6.09368373e-01] [3.90631627e-01 2.34127314e-01 4.06958639e-01] [6.09368373e-01 7.65872686e-01 4.06958639e-01] [6.09368373e-01 2.34127314e-01 5.93041361e-01] [3.90631627e-01 7.65872686e-01 5.93041361e-01] [4.06958639e-01 3.90631627e-01 2.34127314e-01] [4.06958639e-01 6.09368373e-01 7.65872686e-01] [5.93041361e-01 6.09368373e-01 2.34127314e-01] [5.93041361e-01 3.90631627e-01 7.65872686e-01] [2.34127314e-01 4.06958639e-01 3.90631627e-01] [7.65872686e-01 4.06958639e-01 6.09368373e-01] [2.34127314e-01 5.93041361e-01 6.09368373e-01] [7.65872686e-01 5.93041361e-01 3.90631627e-01] [3.90631627e-01 7.34127314e-01 9.06958639e-01] [6.09368373e-01 2.65872686e-01 9.06958639e-01] [6.09368373e-01 7.34127314e-01 9.30413609e-02] [3.90631627e-01 2.65872686e-01 9.30413609e-02] [4.06958639e-01 8.90631627e-01 7.34127314e-01] [4.06958639e-01 1.09368373e-01 2.65872686e-01] [5.93041361e-01 1.09368373e-01 7.34127314e-01] [5.93041361e-01 8.90631627e-01 2.65872686e-01] [2.34127314e-01 9.06958639e-01 8.90631627e-01] [7.65872686e-01 9.06958639e-01 1.09368373e-01] [2.34127314e-01 9.30413609e-02 1.09368373e-01] [7.65872686e-01 9.30413609e-02 8.90631627e-01] [8.90631627e-01 2.34127314e-01 9.06958639e-01] [1.09368373e-01 7.65872686e-01 9.06958639e-01] [1.09368373e-01 2.34127314e-01 9.30413609e-02] [8.90631627e-01 7.65872686e-01 9.30413609e-02] [9.06958639e-01 3.90631627e-01 7.34127314e-01] [9.06958639e-01 6.09368373e-01 2.65872686e-01] [9.30413609e-02 6.09368373e-01 7.34127314e-01] [9.30413609e-02 3.90631627e-01 2.65872686e-01] [7.34127314e-01 4.06958639e-01 8.90631627e-01] [2.65872686e-01 4.06958639e-01 1.09368373e-01] [7.34127314e-01 5.93041361e-01 1.09368373e-01] [2.65872686e-01 5.93041361e-01 8.90631627e-01] [8.90631627e-01 7.34127314e-01 4.06958639e-01] [1.09368373e-01 2.65872686e-01 4.06958639e-01] [1.09368373e-01 7.34127314e-01 5.93041361e-01] [8.90631627e-01 2.65872686e-01 5.93041361e-01] [9.06958639e-01 8.90631627e-01 2.34127314e-01] [9.06958639e-01 1.09368373e-01 7.65872686e-01] [9.30413609e-02 1.09368373e-01 2.34127314e-01] [9.30413609e-02 8.90631627e-01 7.65872686e-01] [7.34127314e-01 9.06958639e-01 3.90631627e-01] [2.65872686e-01 9.06958639e-01 6.09368373e-01] [7.34127314e-01 9.30413609e-02 6.09368373e-01] [2.65872686e-01 9.30413609e-02 3.90631627e-01] [7.05416306e-01 3.16799991e-01 6.07377956e-02] [2.94583694e-01 6.83200009e-01 6.07377956e-02] [2.94583694e-01 3.16799991e-01 9.39262204e-01] [7.05416306e-01 6.83200009e-01 9.39262204e-01] [6.07377956e-02 7.05416306e-01 3.16799991e-01] [6.07377956e-02 2.94583694e-01 6.83200009e-01] [9.39262204e-01 2.94583694e-01 3.16799991e-01] [9.39262204e-01 7.05416306e-01 6.83200009e-01] [3.16799991e-01 6.07377956e-02 7.05416306e-01] [6.83200009e-01 6.07377956e-02 2.94583694e-01] [3.16799991e-01 9.39262204e-01 2.94583694e-01] [6.83200009e-01 9.39262204e-01 7.05416306e-01] [7.05416306e-01 8.16799991e-01 5.60737796e-01] [2.94583694e-01 1.83200009e-01 5.60737796e-01] [2.94583694e-01 8.16799991e-01 4.39262204e-01] [7.05416306e-01 1.83200009e-01 4.39262204e-01] [6.07377956e-02 2.05416306e-01 8.16799991e-01] [6.07377956e-02 7.94583694e-01 1.83200009e-01] [9.39262204e-01 7.94583694e-01 8.16799991e-01] [9.39262204e-01 2.05416306e-01 1.83200009e-01] [3.16799991e-01 5.60737796e-01 2.05416306e-01] [6.83200009e-01 5.60737796e-01 7.94583694e-01] [3.16799991e-01 4.39262204e-01 7.94583694e-01] [6.83200009e-01 4.39262204e-01 2.05416306e-01] [2.05416306e-01 3.16799991e-01 5.60737796e-01] [7.94583694e-01 6.83200009e-01 5.60737796e-01] [7.94583694e-01 3.16799991e-01 4.39262204e-01] [2.05416306e-01 6.83200009e-01 4.39262204e-01] [5.60737796e-01 7.05416306e-01 8.16799991e-01] [5.60737796e-01 2.94583694e-01 1.83200009e-01] [4.39262204e-01 2.94583694e-01 8.16799991e-01] [4.39262204e-01 7.05416306e-01 1.83200009e-01] [8.16799991e-01 6.07377956e-02 2.05416306e-01] [1.83200009e-01 6.07377956e-02 7.94583694e-01] [8.16799991e-01 9.39262204e-01 7.94583694e-01] [1.83200009e-01 9.39262204e-01 2.05416306e-01] [2.05416306e-01 8.16799991e-01 6.07377956e-02] [7.94583694e-01 1.83200009e-01 6.07377956e-02] [7.94583694e-01 8.16799991e-01 9.39262204e-01] [2.05416306e-01 1.83200009e-01 9.39262204e-01] [5.60737796e-01 2.05416306e-01 3.16799991e-01] [5.60737796e-01 7.94583694e-01 6.83200009e-01] [4.39262204e-01 7.94583694e-01 3.16799991e-01] [4.39262204e-01 2.05416306e-01 6.83200009e-01] [8.16799991e-01 5.60737796e-01 7.05416306e-01] [1.83200009e-01 5.60737796e-01 2.94583694e-01] [8.16799991e-01 4.39262204e-01 2.94583694e-01] [1.83200009e-01 4.39262204e-01 7.05416306e-01] [2.94583694e-01 6.83200009e-01 9.39262204e-01] [7.05416306e-01 3.16799991e-01 9.39262204e-01] [7.05416306e-01 6.83200009e-01 6.07377956e-02] [2.94583694e-01 3.16799991e-01 6.07377956e-02] [9.39262204e-01 2.94583694e-01 6.83200009e-01] [9.39262204e-01 7.05416306e-01 3.16799991e-01] [6.07377956e-02 7.05416306e-01 6.83200009e-01] [6.07377956e-02 2.94583694e-01 3.16799991e-01] [6.83200009e-01 9.39262204e-01 2.94583694e-01] [3.16799991e-01 9.39262204e-01 7.05416306e-01] [6.83200009e-01 6.07377956e-02 7.05416306e-01] [3.16799991e-01 6.07377956e-02 2.94583694e-01] [2.94583694e-01 1.83200009e-01 4.39262204e-01] [7.05416306e-01 8.16799991e-01 4.39262204e-01] [7.05416306e-01 1.83200009e-01 5.60737796e-01] [2.94583694e-01 8.16799991e-01 5.60737796e-01] [9.39262204e-01 7.94583694e-01 1.83200009e-01] [9.39262204e-01 2.05416306e-01 8.16799991e-01] [6.07377956e-02 2.05416306e-01 1.83200009e-01] [6.07377956e-02 7.94583694e-01 8.16799991e-01] [6.83200009e-01 4.39262204e-01 7.94583694e-01] [3.16799991e-01 4.39262204e-01 2.05416306e-01] [6.83200009e-01 5.60737796e-01 2.05416306e-01] [3.16799991e-01 5.60737796e-01 7.94583694e-01] [7.94583694e-01 6.83200009e-01 4.39262204e-01] [2.05416306e-01 3.16799991e-01 4.39262204e-01] [2.05416306e-01 6.83200009e-01 5.60737796e-01] [7.94583694e-01 3.16799991e-01 5.60737796e-01] [4.39262204e-01 2.94583694e-01 1.83200009e-01] [4.39262204e-01 7.05416306e-01 8.16799991e-01] [5.60737796e-01 7.05416306e-01 1.83200009e-01] [5.60737796e-01 2.94583694e-01 8.16799991e-01] [1.83200009e-01 9.39262204e-01 7.94583694e-01] [8.16799991e-01 9.39262204e-01 2.05416306e-01] [1.83200009e-01 6.07377956e-02 2.05416306e-01] [8.16799991e-01 6.07377956e-02 7.94583694e-01] [7.94583694e-01 1.83200009e-01 9.39262204e-01] [2.05416306e-01 8.16799991e-01 9.39262204e-01] [2.05416306e-01 1.83200009e-01 6.07377956e-02] [7.94583694e-01 8.16799991e-01 6.07377956e-02] [4.39262204e-01 7.94583694e-01 6.83200009e-01] [4.39262204e-01 2.05416306e-01 3.16799991e-01] [5.60737796e-01 2.05416306e-01 6.83200009e-01] [5.60737796e-01 7.94583694e-01 3.16799991e-01] [1.83200009e-01 4.39262204e-01 2.94583694e-01] [8.16799991e-01 4.39262204e-01 7.05416306e-01] [1.83200009e-01 5.60737796e-01 7.05416306e-01] [8.16799991e-01 5.60737796e-01 2.94583694e-01]] cellpar = Cell([[12.990079148060133, 2.382628452175534e-37, 0.0], [3.100702492309453e-37, 12.990079148060133, 0.0], [0.0, 0.0, 12.990079148060133]]) forces = [[ 8.53947133e-31 -5.32811470e-09 -2.42035765e-09] [-4.26973566e-31 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -8.53947133e-31 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 -5.33716958e-32 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 8.53947133e-31] [ 5.32811470e-09 -2.42035765e-09 -8.53947133e-31] [-5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 5.32811470e-09 2.42035765e-09 -5.33716958e-32] [ 8.53947133e-31 -5.32811470e-09 -2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -4.43939789e-47 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 4.26973566e-31] [ 5.32811470e-09 -2.42035765e-09 0.00000000e+00] [-5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 8.30597016e-31 -5.32811470e-09 -2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [-2.91876461e-32 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -4.43939789e-47 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 8.53947133e-31] [ 5.32811470e-09 -2.42035765e-09 -8.53947133e-31] [-5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 5.32811470e-09 2.42035765e-09 0.00000000e+00] [ 8.53947133e-31 -5.32811470e-09 -2.42035765e-09] [-4.26973566e-31 5.32811470e-09 -2.42035765e-09] [-1.27180892e-46 -5.32811470e-09 2.42035765e-09] [ 1.27180892e-46 5.32811470e-09 2.42035765e-09] [-2.42035765e-09 8.53947133e-31 -5.32811470e-09] [-2.42035765e-09 -8.53947133e-31 5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 -5.32811470e-09] [ 2.42035765e-09 4.43939789e-47 5.32811470e-09] [-5.32811470e-09 -2.42035765e-09 4.00287719e-31] [ 5.32811470e-09 -2.42035765e-09 2.50179824e-32] [-5.32811470e-09 2.42035765e-09 1.25089912e-33] [ 5.32811470e-09 2.42035765e-09 -5.33716958e-32] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 6.49659995e-09 2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [ 2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 6.49659995e-09] [-2.05364686e-09 2.41627407e-09 -6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 6.49659995e-09 -2.05364686e-09 2.41627407e-09] [-6.49659995e-09 2.05364686e-09 2.41627407e-09] [-6.49659995e-09 -2.05364686e-09 -2.41627407e-09] [ 6.49659995e-09 2.05364686e-09 -2.41627407e-09] [ 2.41627407e-09 6.49659995e-09 -2.05364686e-09] [ 2.41627407e-09 -6.49659995e-09 2.05364686e-09] [-2.41627407e-09 -6.49659995e-09 -2.05364686e-09] [-2.41627407e-09 6.49659995e-09 2.05364686e-09] [-2.05364686e-09 2.41627407e-09 6.49659995e-09] [ 2.05364686e-09 2.41627407e-09 -6.49659995e-09] [-2.05364686e-09 -2.41627407e-09 -6.49659995e-09] [ 2.05364686e-09 -2.41627407e-09 6.49659995e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 2.92413477e-09] [-2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.00329215e-09 -2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 -4.86253667e-09] [ 2.00329215e-09 2.92413477e-09 4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09] [-4.86253667e-09 2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 -2.00329215e-09 2.92413477e-09] [ 4.86253667e-09 2.00329215e-09 -2.92413477e-09] [-4.86253667e-09 -2.00329215e-09 -2.92413477e-09] [ 2.92413477e-09 -4.86253667e-09 2.00329215e-09] [ 2.92413477e-09 4.86253667e-09 -2.00329215e-09] [-2.92413477e-09 4.86253667e-09 2.00329215e-09] [-2.92413477e-09 -4.86253667e-09 -2.00329215e-09] [ 2.00329215e-09 2.92413477e-09 -4.86253667e-09] [-2.00329215e-09 2.92413477e-09 4.86253667e-09] [ 2.00329215e-09 -2.92413477e-09 4.86253667e-09] [-2.00329215e-09 -2.92413477e-09 -4.86253667e-09]] stress = [-7.81225246e-12 -7.81225246e-12 -7.81225246e-12 0.00000000e+00 0.00000000e+00 3.89579049e-34] energy per atom = -6.854518129822101 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0