element(s): ['C'] AFLOW prototype label: A_cI16_229_f Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.8764', '0.16261302'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.16261302 0.16261302 0.16261302]] spacegroup = 229 cell = [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]] ========================================= Step Time Energy fmax BFGS: 0 17:43:07 1805.721516 183.0015 BFGS: 1 17:43:07 1778.026798 179.3101 BFGS: 2 17:43:07 1751.815153 175.7522 BFGS: 3 17:43:07 1725.692274 172.2564 BFGS: 4 17:43:07 1700.103077 168.8428 BFGS: 5 17:43:07 1675.019611 165.5175 BFGS: 6 17:43:07 1650.428542 162.2731 BFGS: 7 17:43:07 1626.318525 159.1028 BFGS: 8 17:43:07 1602.678639 156.0046 BFGS: 9 17:43:07 1579.498228 152.9764 BFGS: 10 17:43:07 1556.766934 150.0164 BFGS: 11 17:43:07 1534.474687 147.1225 BFGS: 12 17:43:07 1512.611697 144.2929 BFGS: 13 17:43:07 1491.167637 141.5429 BFGS: 14 17:43:07 1470.130047 138.8697 BFGS: 15 17:43:07 1449.488322 136.2622 BFGS: 16 17:43:07 1429.233552 133.7118 BFGS: 17 17:43:07 1409.357193 131.2170 BFGS: 18 17:43:07 1389.850925 128.7778 BFGS: 19 17:43:07 1370.706440 126.3919 BFGS: 20 17:43:07 1351.915960 124.0571 BFGS: 21 17:43:07 1333.471950 121.7721 BFGS: 22 17:43:07 1315.365344 119.5595 BFGS: 23 17:43:07 1297.586984 117.3953 BFGS: 24 17:43:07 1280.129825 115.2785 BFGS: 25 17:43:07 1262.986352 113.2107 BFGS: 26 17:43:07 1246.149646 111.1860 BFGS: 27 17:43:07 1229.613424 109.2033 BFGS: 28 17:43:07 1213.371496 107.2617 BFGS: 29 17:43:07 1197.417812 105.3599 BFGS: 30 17:43:07 1181.745661 103.5084 BFGS: 31 17:43:07 1166.348627 101.6953 BFGS: 32 17:43:07 1151.220919 99.9220 BFGS: 33 17:43:07 1136.354914 98.2052 BFGS: 34 17:43:07 1121.743952 96.5315 BFGS: 35 17:43:07 1107.381103 94.8950 BFGS: 36 17:43:07 1093.261196 93.2913 BFGS: 37 17:43:07 1079.379422 91.7195 BFGS: 38 17:43:07 1065.731067 90.1789 BFGS: 39 17:43:07 1052.311528 88.6686 BFGS: 40 17:43:07 1039.116311 87.1880 BFGS: 41 17:43:08 1026.141035 85.7362 BFGS: 42 17:43:08 1013.381426 84.3125 BFGS: 43 17:43:08 1000.833317 82.9163 BFGS: 44 17:43:08 988.492618 81.5481 BFGS: 45 17:43:08 976.354765 80.2104 BFGS: 46 17:43:08 964.415582 78.8980 BFGS: 47 17:43:08 952.671346 77.6105 BFGS: 48 17:43:08 941.118409 76.3471 BFGS: 49 17:43:08 929.753200 75.1073 BFGS: 50 17:43:08 918.572229 73.8905 BFGS: 51 17:43:08 907.572088 72.6962 BFGS: 52 17:43:08 896.749449 71.5239 BFGS: 53 17:43:08 886.101061 70.3729 BFGS: 54 17:43:08 875.623753 69.2429 BFGS: 55 17:43:08 865.314119 68.1426 BFGS: 56 17:43:08 855.167013 67.0737 BFGS: 57 17:43:08 845.179201 66.0241 BFGS: 58 17:43:08 835.347678 64.9933 BFGS: 59 17:43:08 825.669566 63.9809 BFGS: 60 17:43:08 816.141894 62.9916 BFGS: 61 17:43:08 806.760689 62.0249 BFGS: 62 17:43:08 797.523071 61.0753 BFGS: 63 17:43:08 788.426568 60.1423 BFGS: 64 17:43:08 779.468747 59.2255 BFGS: 65 17:43:08 770.647219 58.3247 BFGS: 66 17:43:08 761.959643 57.4393 BFGS: 67 17:43:08 753.402600 56.5864 BFGS: 68 17:43:08 744.972159 55.7506 BFGS: 69 17:43:08 736.666106 54.9292 BFGS: 70 17:43:08 728.482293 54.1218 BFGS: 71 17:43:08 720.418626 53.3280 BFGS: 72 17:43:08 712.473065 52.5477 BFGS: 73 17:43:08 704.643618 51.7804 BFGS: 74 17:43:08 696.928341 51.0258 BFGS: 75 17:43:08 689.325333 50.2838 BFGS: 76 17:43:08 681.832738 49.5540 BFGS: 77 17:43:08 674.448740 48.8361 BFGS: 78 17:43:08 667.171565 48.1300 BFGS: 79 17:43:08 659.999475 47.4353 BFGS: 80 17:43:08 652.930774 46.7518 BFGS: 81 17:43:08 645.962625 46.0962 BFGS: 82 17:43:08 639.092015 45.4526 BFGS: 83 17:43:08 632.317216 44.8220 BFGS: 84 17:43:08 625.636217 44.2033 BFGS: 85 17:43:08 619.047468 43.5945 BFGS: 86 17:43:08 612.549467 42.9953 BFGS: 87 17:43:08 606.140756 42.4056 BFGS: 88 17:43:08 599.819912 41.8250 BFGS: 89 17:43:08 593.585241 41.2578 BFGS: 90 17:43:08 587.434956 40.6996 BFGS: 91 17:43:08 581.367751 40.1501 BFGS: 92 17:43:08 575.382350 39.6090 BFGS: 93 17:43:08 569.477504 39.0761 BFGS: 94 17:43:08 563.651981 38.5518 BFGS: 95 17:43:08 557.904441 38.0364 BFGS: 96 17:43:08 552.233678 37.5288 BFGS: 97 17:43:08 546.638535 37.0288 BFGS: 98 17:43:08 541.117878 36.5363 BFGS: 99 17:43:08 535.670599 36.0510 BFGS: 100 17:43:08 530.295611 35.5729 BFGS: 101 17:43:08 524.991851 35.1018 BFGS: 102 17:43:08 519.758276 34.6375 BFGS: 103 17:43:08 514.593867 34.1800 BFGS: 104 17:43:08 509.497622 33.7291 BFGS: 105 17:43:08 504.468560 33.2846 BFGS: 106 17:43:08 499.505723 32.8465 BFGS: 107 17:43:08 494.608167 32.4146 BFGS: 108 17:43:08 489.774968 31.9888 BFGS: 109 17:43:08 485.005223 31.5690 BFGS: 110 17:43:08 480.298043 31.1550 BFGS: 111 17:43:08 475.652558 30.7468 BFGS: 112 17:43:08 471.067914 30.3442 BFGS: 113 17:43:08 466.543274 29.9471 BFGS: 114 17:43:08 462.077816 29.5555 BFGS: 115 17:43:08 457.670735 29.1691 BFGS: 116 17:43:09 453.321241 28.7880 BFGS: 117 17:43:09 449.028557 28.4120 BFGS: 118 17:43:09 444.791866 28.0435 BFGS: 119 17:43:09 440.609572 27.6852 BFGS: 120 17:43:09 436.480645 27.3317 BFGS: 121 17:43:09 432.404382 26.9829 BFGS: 122 17:43:09 428.380091 26.6386 BFGS: 123 17:43:09 424.407094 26.2989 BFGS: 124 17:43:09 420.483836 25.9770 BFGS: 125 17:43:09 416.608184 25.6611 BFGS: 126 17:43:09 412.779495 25.3494 BFGS: 127 17:43:09 408.997165 25.0419 BFGS: 128 17:43:09 405.260600 24.7383 BFGS: 129 17:43:09 401.569216 24.4386 BFGS: 130 17:43:09 397.922437 24.1428 BFGS: 131 17:43:09 394.319697 23.8509 BFGS: 132 17:43:09 390.760439 23.5626 BFGS: 133 17:43:09 387.244116 23.2780 BFGS: 134 17:43:09 383.770188 22.9970 BFGS: 135 17:43:09 380.338125 22.7196 BFGS: 136 17:43:09 376.947407 22.4456 BFGS: 137 17:43:09 373.597522 22.1750 BFGS: 138 17:43:09 370.287965 21.9077 BFGS: 139 17:43:09 367.017734 21.6536 BFGS: 140 17:43:09 363.784804 21.4069 BFGS: 141 17:43:09 360.588601 21.1633 BFGS: 142 17:43:09 357.428674 20.9228 BFGS: 143 17:43:09 354.304579 20.6852 BFGS: 144 17:43:09 351.215879 20.4505 BFGS: 145 17:43:09 348.162144 20.2187 BFGS: 146 17:43:09 345.142953 19.9897 BFGS: 147 17:43:09 342.157888 19.7635 BFGS: 148 17:43:09 339.206542 19.5399 BFGS: 149 17:43:09 336.288513 19.3191 BFGS: 150 17:43:09 333.403404 19.1009 BFGS: 151 17:43:09 330.550828 18.8852 BFGS: 152 17:43:09 327.730402 18.6722 BFGS: 153 17:43:09 324.941749 18.4616 BFGS: 154 17:43:09 322.184500 18.2534 BFGS: 155 17:43:09 319.458290 18.0477 BFGS: 156 17:43:09 316.762762 17.8443 BFGS: 157 17:43:09 314.097564 17.6433 BFGS: 158 17:43:09 311.462348 17.4446 BFGS: 159 17:43:09 308.856775 17.2481 BFGS: 160 17:43:09 306.280508 17.0539 BFGS: 161 17:43:09 303.733029 16.8647 BFGS: 162 17:43:09 301.213772 16.6779 BFGS: 163 17:43:09 298.722199 16.4975 BFGS: 164 17:43:09 296.257316 16.3212 BFGS: 165 17:43:09 293.818773 16.1468 BFGS: 166 17:43:09 291.406272 15.9744 BFGS: 167 17:43:09 289.019521 15.8040 BFGS: 168 17:43:09 286.658234 15.6354 BFGS: 169 17:43:09 284.322128 15.4686 BFGS: 170 17:43:09 282.010925 15.3037 BFGS: 171 17:43:09 279.724175 15.1460 BFGS: 172 17:43:09 277.460170 14.9971 BFGS: 173 17:43:09 275.218320 14.8498 BFGS: 174 17:43:09 272.998380 14.7042 BFGS: 175 17:43:09 270.800112 14.5602 BFGS: 176 17:43:09 268.623280 14.4178 BFGS: 177 17:43:09 266.467651 14.2769 BFGS: 178 17:43:09 264.332997 14.1376 BFGS: 179 17:43:09 262.219093 13.9998 BFGS: 180 17:43:09 260.125717 13.8634 BFGS: 181 17:43:09 258.052649 13.7286 BFGS: 182 17:43:09 255.999676 13.5951 BFGS: 183 17:43:09 253.966583 13.4631 BFGS: 184 17:43:09 251.953163 13.3325 BFGS: 185 17:43:09 249.959209 13.2033 BFGS: 186 17:43:09 247.984519 13.0754 BFGS: 187 17:43:09 246.028892 12.9488 BFGS: 188 17:43:09 244.092131 12.8236 BFGS: 189 17:43:09 242.174043 12.6997 BFGS: 190 17:43:09 240.274254 12.5796 BFGS: 191 17:43:09 238.392397 12.4609 BFGS: 192 17:43:09 236.528289 12.3434 BFGS: 193 17:43:09 234.681747 12.2272 BFGS: 194 17:43:09 232.852592 12.1120 BFGS: 195 17:43:10 231.040645 11.9981 BFGS: 196 17:43:10 229.245735 11.8853 BFGS: 197 17:43:10 227.467688 11.7736 BFGS: 198 17:43:10 225.706336 11.6630 BFGS: 199 17:43:10 223.961513 11.5535 BFGS: 200 17:43:10 222.233055 11.4451 BFGS: 201 17:43:10 220.520800 11.3378 BFGS: 202 17:43:10 218.824589 11.2315 BFGS: 203 17:43:10 217.144265 11.1262 BFGS: 204 17:43:10 215.479675 11.0220 BFGS: 205 17:43:10 213.830665 10.9188 BFGS: 206 17:43:10 212.197086 10.8165 BFGS: 207 17:43:10 210.578789 10.7152 BFGS: 208 17:43:10 208.975630 10.6149 BFGS: 209 17:43:10 207.387464 10.5156 BFGS: 210 17:43:10 205.814149 10.4171 BFGS: 211 17:43:10 204.255546 10.3196 BFGS: 212 17:43:10 202.711517 10.2230 BFGS: 213 17:43:10 201.181927 10.1273 BFGS: 214 17:43:10 199.666640 10.0325 BFGS: 215 17:43:10 198.165526 9.9386 BFGS: 216 17:43:10 196.678454 9.8455 BFGS: 217 17:43:10 195.205294 9.7533 BFGS: 218 17:43:10 193.745922 9.6619 BFGS: 219 17:43:10 192.300211 9.5713 BFGS: 220 17:43:10 190.868037 9.4816 BFGS: 221 17:43:10 189.449281 9.3926 BFGS: 222 17:43:10 188.043820 9.3045 BFGS: 223 17:43:10 186.651537 9.2171 BFGS: 224 17:43:10 185.272315 9.1305 BFGS: 225 17:43:10 183.906039 9.0447 BFGS: 226 17:43:10 182.552593 8.9596 BFGS: 227 17:43:10 181.211867 8.8753 BFGS: 228 17:43:10 179.883749 8.7917 BFGS: 229 17:43:10 178.568130 8.7088 BFGS: 230 17:43:10 177.264901 8.6267 BFGS: 231 17:43:10 175.973957 8.5453 BFGS: 232 17:43:10 174.695190 8.4645 BFGS: 233 17:43:10 173.428498 8.3845 BFGS: 234 17:43:10 172.173778 8.3051 BFGS: 235 17:43:10 170.930929 8.2264 BFGS: 236 17:43:10 169.699849 8.1483 BFGS: 237 17:43:10 168.480440 8.0713 BFGS: 238 17:43:10 167.271950 8.0029 BFGS: 239 17:43:10 166.073617 7.9355 BFGS: 240 17:43:10 164.885347 7.8688 BFGS: 241 17:43:10 163.707054 7.8025 BFGS: 242 17:43:10 162.538652 7.7369 BFGS: 243 17:43:10 161.380058 7.6718 BFGS: 244 17:43:10 160.231190 7.6073 BFGS: 245 17:43:10 159.091966 7.5433 BFGS: 246 17:43:10 157.962306 7.4798 BFGS: 247 17:43:10 156.842130 7.4168 BFGS: 248 17:43:10 155.731359 7.3544 BFGS: 249 17:43:10 154.629916 7.2925 BFGS: 250 17:43:10 153.537724 7.2311 BFGS: 251 17:43:10 152.454708 7.1703 BFGS: 252 17:43:10 151.380793 7.1099 BFGS: 253 17:43:10 150.315904 7.0500 BFGS: 254 17:43:10 149.259970 6.9906 BFGS: 255 17:43:10 148.212918 6.9316 BFGS: 256 17:43:10 147.174676 6.8732 BFGS: 257 17:43:10 146.145174 6.8152 BFGS: 258 17:43:10 145.124343 6.7577 BFGS: 259 17:43:10 144.112114 6.7006 BFGS: 260 17:43:10 143.108418 6.6440 BFGS: 261 17:43:10 142.113190 6.5878 BFGS: 262 17:43:10 141.126362 6.5321 BFGS: 263 17:43:10 140.147869 6.4768 BFGS: 264 17:43:10 139.177646 6.4219 BFGS: 265 17:43:10 138.215629 6.3675 BFGS: 266 17:43:10 137.261755 6.3135 BFGS: 267 17:43:10 136.315961 6.2599 BFGS: 268 17:43:10 135.378185 6.2067 BFGS: 269 17:43:10 134.448367 6.1539 BFGS: 270 17:43:10 133.526444 6.1015 BFGS: 271 17:43:10 132.612346 6.0501 BFGS: 272 17:43:10 131.705791 6.0007 BFGS: 273 17:43:10 130.806638 5.9516 BFGS: 274 17:43:10 129.914833 5.9029 BFGS: 275 17:43:11 129.030320 5.8545 BFGS: 276 17:43:11 128.153043 5.8065 BFGS: 277 17:43:11 127.282950 5.7589 BFGS: 278 17:43:11 126.419987 5.7116 BFGS: 279 17:43:11 125.564099 5.6647 BFGS: 280 17:43:11 124.715236 5.6181 BFGS: 281 17:43:11 123.873346 5.5719 BFGS: 282 17:43:11 123.038376 5.5260 BFGS: 283 17:43:11 122.210277 5.4804 BFGS: 284 17:43:11 121.388998 5.4352 BFGS: 285 17:43:11 120.574490 5.3903 BFGS: 286 17:43:11 119.766704 5.3457 BFGS: 287 17:43:11 118.965591 5.3015 BFGS: 288 17:43:11 118.171104 5.2576 BFGS: 289 17:43:11 117.383195 5.2139 BFGS: 290 17:43:11 116.601816 5.1706 BFGS: 291 17:43:11 115.826922 5.1276 BFGS: 292 17:43:11 115.058466 5.0850 BFGS: 293 17:43:11 114.296403 5.0426 BFGS: 294 17:43:11 113.540689 5.0005 BFGS: 295 17:43:11 112.791278 4.9587 BFGS: 296 17:43:11 112.048126 4.9172 BFGS: 297 17:43:11 111.311190 4.8760 BFGS: 298 17:43:11 110.580427 4.8351 BFGS: 299 17:43:11 109.855793 4.7944 BFGS: 300 17:43:11 109.137248 4.7541 BFGS: 301 17:43:11 108.424748 4.7140 BFGS: 302 17:43:11 107.718252 4.6742 BFGS: 303 17:43:11 107.017720 4.6347 BFGS: 304 17:43:11 106.323110 4.5954 BFGS: 305 17:43:11 105.634384 4.5564 BFGS: 306 17:43:11 104.951500 4.5177 BFGS: 307 17:43:11 104.274419 4.4792 BFGS: 308 17:43:11 103.603103 4.4410 BFGS: 309 17:43:11 102.937513 4.4031 BFGS: 310 17:43:11 102.277610 4.3654 BFGS: 311 17:43:11 101.623357 4.3279 BFGS: 312 17:43:11 100.974717 4.2907 BFGS: 313 17:43:11 100.331652 4.2538 BFGS: 314 17:43:11 99.694125 4.2171 BFGS: 315 17:43:11 99.062100 4.1806 BFGS: 316 17:43:11 98.435542 4.1444 BFGS: 317 17:43:11 97.814414 4.1084 BFGS: 318 17:43:11 97.198681 4.0726 BFGS: 319 17:43:11 96.588308 4.0371 BFGS: 320 17:43:11 95.983260 4.0018 BFGS: 321 17:43:11 95.383503 3.9667 BFGS: 322 17:43:11 94.789004 3.9319 BFGS: 323 17:43:11 94.199727 3.8973 BFGS: 324 17:43:11 93.615641 3.8629 BFGS: 325 17:43:11 93.036711 3.8287 BFGS: 326 17:43:11 92.462906 3.7948 BFGS: 327 17:43:11 91.894192 3.7610 BFGS: 328 17:43:11 91.330537 3.7275 BFGS: 329 17:43:11 90.771910 3.6942 BFGS: 330 17:43:11 90.218104 3.6640 BFGS: 331 17:43:11 89.668777 3.6345 BFGS: 332 17:43:11 89.123897 3.6052 BFGS: 333 17:43:11 88.583435 3.5761 BFGS: 334 17:43:11 88.047363 3.5471 BFGS: 335 17:43:11 87.515652 3.5184 BFGS: 336 17:43:11 86.988275 3.4898 BFGS: 337 17:43:11 86.465205 3.4614 BFGS: 338 17:43:11 85.946415 3.4331 BFGS: 339 17:43:11 85.431876 3.4051 BFGS: 340 17:43:11 84.921564 3.3772 BFGS: 341 17:43:11 84.415450 3.3495 BFGS: 342 17:43:11 83.913510 3.3220 BFGS: 343 17:43:11 83.415717 3.2946 BFGS: 344 17:43:11 82.922045 3.2674 BFGS: 345 17:43:11 82.432470 3.2404 BFGS: 346 17:43:11 81.946686 3.2185 BFGS: 347 17:43:11 81.464009 3.1983 BFGS: 348 17:43:11 80.984389 3.1783 BFGS: 349 17:43:11 80.507807 3.1584 BFGS: 350 17:43:11 80.034242 3.1387 BFGS: 351 17:43:11 79.563675 3.1190 BFGS: 352 17:43:11 79.096085 3.0995 BFGS: 353 17:43:11 78.631455 3.0801 BFGS: 354 17:43:12 78.169763 3.0608 BFGS: 355 17:43:12 77.710992 3.0417 BFGS: 356 17:43:12 77.255123 3.0226 BFGS: 357 17:43:12 76.802136 3.0037 BFGS: 358 17:43:12 76.352014 2.9849 BFGS: 359 17:43:12 75.904739 2.9662 BFGS: 360 17:43:12 75.460292 2.9476 BFGS: 361 17:43:12 75.018655 2.9292 BFGS: 362 17:43:12 74.579812 2.9108 BFGS: 363 17:43:12 74.143744 2.8925 BFGS: 364 17:43:12 73.710434 2.8744 BFGS: 365 17:43:12 73.279865 2.8564 BFGS: 366 17:43:12 72.852020 2.8384 BFGS: 367 17:43:12 72.426882 2.8206 BFGS: 368 17:43:12 72.004435 2.8029 BFGS: 369 17:43:12 71.584662 2.7853 BFGS: 370 17:43:12 71.167547 2.7678 BFGS: 371 17:43:12 70.753073 2.7504 BFGS: 372 17:43:12 70.341225 2.7331 BFGS: 373 17:43:12 69.931987 2.7159 BFGS: 374 17:43:12 69.525343 2.6988 BFGS: 375 17:43:12 69.121277 2.6818 BFGS: 376 17:43:12 68.719774 2.6649 BFGS: 377 17:43:12 68.320819 2.6481 BFGS: 378 17:43:12 67.924397 2.6314 BFGS: 379 17:43:12 67.530492 2.6148 BFGS: 380 17:43:12 67.139089 2.5983 BFGS: 381 17:43:12 66.750175 2.5819 BFGS: 382 17:43:12 66.363734 2.5656 BFGS: 383 17:43:12 65.979752 2.5493 BFGS: 384 17:43:12 65.598214 2.5332 BFGS: 385 17:43:12 65.219106 2.5171 BFGS: 386 17:43:12 64.842415 2.5012 BFGS: 387 17:43:12 64.468126 2.4853 BFGS: 388 17:43:12 64.096225 2.4696 BFGS: 389 17:43:12 63.726699 2.4539 BFGS: 390 17:43:12 63.359533 2.4383 BFGS: 391 17:43:12 62.994715 2.4228 BFGS: 392 17:43:12 62.632231 2.4073 BFGS: 393 17:43:12 62.272068 2.3920 BFGS: 394 17:43:12 61.914213 2.3767 BFGS: 395 17:43:12 61.558651 2.3616 BFGS: 396 17:43:12 61.205372 2.3465 BFGS: 397 17:43:12 60.854361 2.3315 BFGS: 398 17:43:12 60.505606 2.3166 BFGS: 399 17:43:12 60.159095 2.3017 BFGS: 400 17:43:12 59.814814 2.2870 BFGS: 401 17:43:12 59.472752 2.2723 BFGS: 402 17:43:12 59.132896 2.2577 BFGS: 403 17:43:12 58.795233 2.2432 BFGS: 404 17:43:12 58.459753 2.2288 BFGS: 405 17:43:12 58.126442 2.2144 BFGS: 406 17:43:12 57.795289 2.2001 BFGS: 407 17:43:12 57.466282 2.1859 BFGS: 408 17:43:12 57.139409 2.1718 BFGS: 409 17:43:12 56.814659 2.1577 BFGS: 410 17:43:12 56.492019 2.1438 BFGS: 411 17:43:12 56.171479 2.1299 BFGS: 412 17:43:12 55.853028 2.1160 BFGS: 413 17:43:12 55.536653 2.1023 BFGS: 414 17:43:12 55.222344 2.0886 BFGS: 415 17:43:12 54.910068 2.0756 BFGS: 416 17:43:12 54.599674 2.0634 BFGS: 417 17:43:12 54.291125 2.0512 BFGS: 418 17:43:12 53.984410 2.0391 BFGS: 419 17:43:12 53.679520 2.0271 BFGS: 420 17:43:12 53.376443 2.0151 BFGS: 421 17:43:12 53.075169 2.0032 BFGS: 422 17:43:12 52.775689 1.9914 BFGS: 423 17:43:12 52.477992 1.9796 BFGS: 424 17:43:12 52.182069 1.9679 BFGS: 425 17:43:12 51.887909 1.9562 BFGS: 426 17:43:12 51.595503 1.9446 BFGS: 427 17:43:12 51.304841 1.9331 BFGS: 428 17:43:12 51.015914 1.9216 BFGS: 429 17:43:12 50.728711 1.9102 BFGS: 430 17:43:12 50.443224 1.8988 BFGS: 431 17:43:12 50.159444 1.8875 BFGS: 432 17:43:12 49.877360 1.8763 BFGS: 433 17:43:12 49.596963 1.8651 BFGS: 434 17:43:12 49.318245 1.8540 BFGS: 435 17:43:13 49.041197 1.8429 BFGS: 436 17:43:13 48.765809 1.8319 BFGS: 437 17:43:13 48.492072 1.8210 BFGS: 438 17:43:13 48.219979 1.8101 BFGS: 439 17:43:13 47.949519 1.7992 BFGS: 440 17:43:13 47.680684 1.7884 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34.976531 1.2657 BFGS: 497 17:43:13 34.787353 1.2579 BFGS: 498 17:43:13 34.599340 1.2501 BFGS: 499 17:43:13 34.412484 1.2424 BFGS: 500 17:43:13 34.226783 1.2347 BFGS: 501 17:43:13 34.042230 1.2271 BFGS: 502 17:43:13 33.858819 1.2194 BFGS: 503 17:43:13 33.676547 1.2118 BFGS: 504 17:43:13 33.495406 1.2043 BFGS: 505 17:43:13 33.315393 1.1968 BFGS: 506 17:43:13 33.136502 1.1893 BFGS: 507 17:43:13 32.958729 1.1818 BFGS: 508 17:43:13 32.782067 1.1744 BFGS: 509 17:43:13 32.606512 1.1670 BFGS: 510 17:43:13 32.432058 1.1597 BFGS: 511 17:43:13 32.258702 1.1524 BFGS: 512 17:43:13 32.086438 1.1451 BFGS: 513 17:43:13 31.915260 1.1378 BFGS: 514 17:43:13 31.745165 1.1306 BFGS: 515 17:43:13 31.576147 1.1234 BFGS: 516 17:43:14 31.408201 1.1163 BFGS: 517 17:43:14 31.241323 1.1091 BFGS: 518 17:43:14 31.075507 1.1020 BFGS: 519 17:43:14 30.910750 1.0950 BFGS: 520 17:43:14 30.747046 1.0879 BFGS: 521 17:43:14 30.584390 1.0809 BFGS: 522 17:43:14 30.422779 1.0740 BFGS: 523 17:43:14 30.262207 1.0670 BFGS: 524 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0.3123 BFGS: 775 17:43:17 8.178106 0.3111 BFGS: 776 17:43:17 8.130655 0.3098 BFGS: 777 17:43:17 8.083400 0.3085 BFGS: 778 17:43:17 8.036341 0.3073 BFGS: 779 17:43:17 7.989475 0.3060 BFGS: 780 17:43:17 7.942804 0.3048 BFGS: 781 17:43:17 7.896325 0.3035 BFGS: 782 17:43:17 7.850039 0.3023 BFGS: 783 17:43:17 7.803944 0.3010 BFGS: 784 17:43:17 7.758041 0.2998 BFGS: 785 17:43:17 7.712328 0.2986 BFGS: 786 17:43:17 7.666805 0.2973 BFGS: 787 17:43:17 7.621471 0.2961 BFGS: 788 17:43:17 7.576325 0.2949 BFGS: 789 17:43:17 7.531368 0.2937 BFGS: 790 17:43:17 7.486598 0.2925 BFGS: 791 17:43:17 7.442015 0.2913 BFGS: 792 17:43:17 7.397618 0.2901 BFGS: 793 17:43:17 7.353406 0.2889 BFGS: 794 17:43:17 7.309379 0.2877 BFGS: 795 17:43:17 7.265536 0.2865 BFGS: 796 17:43:17 7.221878 0.2853 BFGS: 797 17:43:17 7.178402 0.2841 BFGS: 798 17:43:17 7.135108 0.2829 BFGS: 799 17:43:17 7.091997 0.2817 BFGS: 800 17:43:17 7.049066 0.2806 BFGS: 801 17:43:17 7.006317 0.2794 BFGS: 802 17:43:17 6.963747 0.2782 BFGS: 803 17:43:17 6.921357 0.2771 BFGS: 804 17:43:17 6.879146 0.2759 BFGS: 805 17:43:17 6.837114 0.2748 BFGS: 806 17:43:17 6.795259 0.2736 BFGS: 807 17:43:17 6.753581 0.2725 BFGS: 808 17:43:17 6.712080 0.2713 BFGS: 809 17:43:17 6.670755 0.2702 BFGS: 810 17:43:17 6.629606 0.2690 BFGS: 811 17:43:17 6.588631 0.2679 BFGS: 812 17:43:17 6.547831 0.2668 BFGS: 813 17:43:17 6.507204 0.2656 BFGS: 814 17:43:17 6.466751 0.2645 BFGS: 815 17:43:17 6.426471 0.2634 BFGS: 816 17:43:17 6.386362 0.2623 BFGS: 817 17:43:17 6.346426 0.2612 BFGS: 818 17:43:17 6.306660 0.2600 BFGS: 819 17:43:17 6.267065 0.2589 BFGS: 820 17:43:17 6.227640 0.2578 BFGS: 821 17:43:17 6.188384 0.2567 BFGS: 822 17:43:17 6.149297 0.2556 BFGS: 823 17:43:17 6.110379 0.2545 BFGS: 824 17:43:17 6.071628 0.2535 BFGS: 825 17:43:17 6.033045 0.2524 BFGS: 826 17:43:17 5.994628 0.2513 BFGS: 827 17:43:17 5.956378 0.2502 BFGS: 828 17:43:17 5.918293 0.2491 BFGS: 829 17:43:17 5.880374 0.2481 BFGS: 830 17:43:17 5.842619 0.2470 BFGS: 831 17:43:17 5.805028 0.2459 BFGS: 832 17:43:17 5.767601 0.2449 BFGS: 833 17:43:17 5.730338 0.2438 BFGS: 834 17:43:17 5.693236 0.2427 BFGS: 835 17:43:17 5.656297 0.2417 BFGS: 836 17:43:17 5.619520 0.2406 BFGS: 837 17:43:17 5.582904 0.2396 BFGS: 838 17:43:17 5.546448 0.2385 BFGS: 839 17:43:18 5.510153 0.2375 BFGS: 840 17:43:18 5.474017 0.2365 BFGS: 841 17:43:18 5.438040 0.2354 BFGS: 842 17:43:18 5.402222 0.2344 BFGS: 843 17:43:18 5.366562 0.2334 BFGS: 844 17:43:18 5.331060 0.2323 BFGS: 845 17:43:18 5.295715 0.2313 BFGS: 846 17:43:18 5.260526 0.2303 BFGS: 847 17:43:18 5.225494 0.2293 BFGS: 848 17:43:18 5.190618 0.2283 BFGS: 849 17:43:18 5.155897 0.2272 BFGS: 850 17:43:18 5.121330 0.2262 BFGS: 851 17:43:18 5.086918 0.2252 BFGS: 852 17:43:18 5.052660 0.2242 BFGS: 853 17:43:18 5.018555 0.2232 BFGS: 854 17:43:18 4.984603 0.2222 BFGS: 855 17:43:18 4.950803 0.2212 BFGS: 856 17:43:18 4.917156 0.2202 BFGS: 857 17:43:18 4.883660 0.2193 BFGS: 858 17:43:18 4.850315 0.2183 BFGS: 859 17:43:18 4.817120 0.2173 BFGS: 860 17:43:18 4.784076 0.2163 BFGS: 861 17:43:18 4.751181 0.2153 BFGS: 862 17:43:18 4.718436 0.2144 BFGS: 863 17:43:18 4.685839 0.2134 BFGS: 864 17:43:18 4.653391 0.2124 BFGS: 865 17:43:18 4.621091 0.2115 BFGS: 866 17:43:18 4.588938 0.2105 BFGS: 867 17:43:18 4.556932 0.2095 BFGS: 868 17:43:18 4.525072 0.2086 BFGS: 869 17:43:18 4.493359 0.2076 BFGS: 870 17:43:18 4.461791 0.2067 BFGS: 871 17:43:18 4.430369 0.2057 BFGS: 872 17:43:18 4.399091 0.2048 BFGS: 873 17:43:18 4.367958 0.2038 BFGS: 874 17:43:18 4.336969 0.2029 BFGS: 875 17:43:18 4.306123 0.2020 BFGS: 876 17:43:18 4.275420 0.2010 BFGS: 877 17:43:18 4.244860 0.2001 BFGS: 878 17:43:18 4.214442 0.1992 BFGS: 879 17:43:18 4.184166 0.1983 BFGS: 880 17:43:18 4.154032 0.1973 BFGS: 881 17:43:18 4.124038 0.1964 BFGS: 882 17:43:18 4.094185 0.1955 BFGS: 883 17:43:18 4.064472 0.1946 BFGS: 884 17:43:18 4.034899 0.1937 BFGS: 885 17:43:18 4.005465 0.1928 BFGS: 886 17:43:18 3.976169 0.1918 BFGS: 887 17:43:18 3.947013 0.1909 BFGS: 888 17:43:18 3.917994 0.1900 BFGS: 889 17:43:18 3.889114 0.1891 BFGS: 890 17:43:18 3.860370 0.1882 BFGS: 891 17:43:18 3.831763 0.1873 BFGS: 892 17:43:18 3.803293 0.1865 BFGS: 893 17:43:18 3.774959 0.1856 BFGS: 894 17:43:18 3.746760 0.1847 BFGS: 895 17:43:18 3.718697 0.1838 BFGS: 896 17:43:18 3.690769 0.1829 BFGS: 897 17:43:18 3.662975 0.1820 BFGS: 898 17:43:18 3.635315 0.1812 BFGS: 899 17:43:18 3.607789 0.1803 BFGS: 900 17:43:18 3.580396 0.1794 BFGS: 901 17:43:18 3.553136 0.1785 BFGS: 902 17:43:18 3.526009 0.1777 BFGS: 903 17:43:18 3.499013 0.1768 BFGS: 904 17:43:18 3.472150 0.1759 BFGS: 905 17:43:18 3.445418 0.1751 BFGS: 906 17:43:18 3.418817 0.1742 BFGS: 907 17:43:18 3.392346 0.1734 BFGS: 908 17:43:18 3.366006 0.1725 BFGS: 909 17:43:18 3.339796 0.1717 BFGS: 910 17:43:18 3.313715 0.1708 BFGS: 911 17:43:18 3.287763 0.1700 BFGS: 912 17:43:18 3.261940 0.1691 BFGS: 913 17:43:18 3.236245 0.1683 BFGS: 914 17:43:18 3.210678 0.1675 BFGS: 915 17:43:18 3.185239 0.1666 BFGS: 916 17:43:18 3.159928 0.1658 BFGS: 917 17:43:18 3.134743 0.1650 BFGS: 918 17:43:18 3.109684 0.1641 BFGS: 919 17:43:18 3.084752 0.1633 BFGS: 920 17:43:19 3.059946 0.1625 BFGS: 921 17:43:19 3.035265 0.1617 BFGS: 922 17:43:19 3.010709 0.1608 BFGS: 923 17:43:19 2.986278 0.1600 BFGS: 924 17:43:19 2.961972 0.1592 BFGS: 925 17:43:19 2.937789 0.1584 BFGS: 926 17:43:19 2.913730 0.1576 BFGS: 927 17:43:19 2.889794 0.1568 BFGS: 928 17:43:19 2.865982 0.1560 BFGS: 929 17:43:19 2.842292 0.1552 BFGS: 930 17:43:19 2.818724 0.1544 BFGS: 931 17:43:19 2.795278 0.1536 BFGS: 932 17:43:19 2.771954 0.1528 BFGS: 933 17:43:19 2.748751 0.1520 BFGS: 934 17:43:19 2.725669 0.1512 BFGS: 935 17:43:19 2.702707 0.1504 BFGS: 936 17:43:19 2.679866 0.1496 BFGS: 937 17:43:19 2.657144 0.1488 BFGS: 938 17:43:19 2.634542 0.1480 BFGS: 939 17:43:19 2.612060 0.1473 BFGS: 940 17:43:19 2.589696 0.1465 BFGS: 941 17:43:19 2.567450 0.1457 BFGS: 942 17:43:19 2.545323 0.1449 BFGS: 943 17:43:19 2.523314 0.1441 BFGS: 944 17:43:19 2.501422 0.1434 BFGS: 945 17:43:19 2.479648 0.1426 BFGS: 946 17:43:19 2.457990 0.1418 BFGS: 947 17:43:19 2.436449 0.1411 BFGS: 948 17:43:19 2.415024 0.1403 BFGS: 949 17:43:19 2.393715 0.1396 BFGS: 950 17:43:19 2.372521 0.1388 BFGS: 951 17:43:19 2.351443 0.1380 BFGS: 952 17:43:19 2.330480 0.1373 BFGS: 953 17:43:19 2.309631 0.1365 BFGS: 954 17:43:19 2.288897 0.1358 BFGS: 955 17:43:19 2.268276 0.1350 BFGS: 956 17:43:19 2.247769 0.1343 BFGS: 957 17:43:19 2.227376 0.1335 BFGS: 958 17:43:19 2.207095 0.1328 BFGS: 959 17:43:19 2.186928 0.1321 BFGS: 960 17:43:19 2.166872 0.1313 BFGS: 961 17:43:19 2.146929 0.1306 BFGS: 962 17:43:19 2.127097 0.1299 BFGS: 963 17:43:19 2.107377 0.1291 BFGS: 964 17:43:19 2.087768 0.1284 BFGS: 965 17:43:19 2.068270 0.1277 BFGS: 966 17:43:19 2.048883 0.1269 BFGS: 967 17:43:19 2.029606 0.1262 BFGS: 968 17:43:19 2.010438 0.1255 BFGS: 969 17:43:19 1.991380 0.1248 BFGS: 970 17:43:19 1.972432 0.1241 BFGS: 971 17:43:19 1.953593 0.1233 BFGS: 972 17:43:19 1.934862 0.1226 BFGS: 973 17:43:19 1.916240 0.1219 BFGS: 974 17:43:19 1.897726 0.1212 BFGS: 975 17:43:19 1.879319 0.1205 BFGS: 976 17:43:19 1.861020 0.1198 BFGS: 977 17:43:19 1.842829 0.1191 BFGS: 978 17:43:19 1.824744 0.1184 BFGS: 979 17:43:19 1.806766 0.1177 BFGS: 980 17:43:19 1.788895 0.1170 BFGS: 981 17:43:19 1.771129 0.1163 BFGS: 982 17:43:19 1.753470 0.1156 BFGS: 983 17:43:19 1.735915 0.1149 BFGS: 984 17:43:19 1.718466 0.1142 BFGS: 985 17:43:19 1.701122 0.1135 BFGS: 986 17:43:19 1.683883 0.1128 BFGS: 987 17:43:19 1.666748 0.1121 BFGS: 988 17:43:19 1.649716 0.1115 BFGS: 989 17:43:19 1.632789 0.1108 BFGS: 990 17:43:19 1.615965 0.1101 BFGS: 991 17:43:19 1.599245 0.1094 BFGS: 992 17:43:19 1.582627 0.1087 BFGS: 993 17:43:19 1.566112 0.1081 BFGS: 994 17:43:19 1.549699 0.1074 BFGS: 995 17:43:19 1.533389 0.1067 BFGS: 996 17:43:19 1.517180 0.1061 BFGS: 997 17:43:19 1.501073 0.1054 BFGS: 998 17:43:19 1.485067 0.1047 BFGS: 999 17:43:19 1.469162 0.1041 BFGS: 1000 17:43:19 1.453358 0.1034 BFGS: 1001 17:43:20 1.437654 0.1027 BFGS: 1002 17:43:20 1.422051 0.1021 BFGS: 1003 17:43:20 1.406547 0.1014 BFGS: 1004 17:43:20 1.391143 0.1008 BFGS: 1005 17:43:20 1.375838 0.1001 BFGS: 1006 17:43:20 1.360633 0.0995 BFGS: 1007 17:43:20 1.345526 0.0988 BFGS: 1008 17:43:20 1.330518 0.0982 BFGS: 1009 17:43:20 1.315608 0.0975 BFGS: 1010 17:43:20 1.300797 0.0969 BFGS: 1011 17:43:20 1.286083 0.0962 BFGS: 1012 17:43:20 1.271466 0.0956 BFGS: 1013 17:43:20 1.256947 0.0949 BFGS: 1014 17:43:20 1.242525 0.0943 BFGS: 1015 17:43:20 1.228199 0.0937 BFGS: 1016 17:43:20 1.213971 0.0930 BFGS: 1017 17:43:20 1.199838 0.0924 BFGS: 1018 17:43:20 1.185801 0.0918 BFGS: 1019 17:43:20 1.171860 0.0911 BFGS: 1020 17:43:20 1.158014 0.0905 BFGS: 1021 17:43:20 1.144264 0.0899 BFGS: 1022 17:43:20 1.130609 0.0893 BFGS: 1023 17:43:20 1.117048 0.0886 BFGS: 1024 17:43:20 1.103582 0.0880 BFGS: 1025 17:43:20 1.090209 0.0874 BFGS: 1026 17:43:20 1.076931 0.0868 BFGS: 1027 17:43:20 1.063747 0.0862 BFGS: 1028 17:43:20 1.050656 0.0855 BFGS: 1029 17:43:20 1.037658 0.0849 BFGS: 1030 17:43:20 1.024753 0.0843 BFGS: 1031 17:43:20 1.011941 0.0837 BFGS: 1032 17:43:20 0.999221 0.0831 BFGS: 1033 17:43:20 0.986593 0.0825 BFGS: 1034 17:43:20 0.974058 0.0819 BFGS: 1035 17:43:20 0.961614 0.0813 BFGS: 1036 17:43:20 0.949262 0.0807 BFGS: 1037 17:43:20 0.937001 0.0801 BFGS: 1038 17:43:20 0.924830 0.0795 BFGS: 1039 17:43:20 0.912751 0.0789 BFGS: 1040 17:43:20 0.900762 0.0783 BFGS: 1041 17:43:20 0.888864 0.0777 BFGS: 1042 17:43:20 0.877055 0.0771 BFGS: 1043 17:43:20 0.865336 0.0765 BFGS: 1044 17:43:20 0.853707 0.0759 BFGS: 1045 17:43:20 0.842167 0.0753 BFGS: 1046 17:43:20 0.830717 0.0747 BFGS: 1047 17:43:20 0.819355 0.0742 BFGS: 1048 17:43:20 0.808081 0.0736 BFGS: 1049 17:43:20 0.796897 0.0730 BFGS: 1050 17:43:20 0.785800 0.0724 BFGS: 1051 17:43:20 0.774791 0.0718 BFGS: 1052 17:43:20 0.763870 0.0713 BFGS: 1053 17:43:20 0.753036 0.0707 BFGS: 1054 17:43:20 0.742290 0.0701 BFGS: 1055 17:43:20 0.731631 0.0695 BFGS: 1056 17:43:20 0.721058 0.0690 BFGS: 1057 17:43:20 0.710572 0.0684 BFGS: 1058 17:43:20 0.700173 0.0678 BFGS: 1059 17:43:20 0.689859 0.0672 BFGS: 1060 17:43:20 0.679632 0.0667 BFGS: 1061 17:43:20 0.669490 0.0661 BFGS: 1062 17:43:20 0.659433 0.0656 BFGS: 1063 17:43:20 0.649462 0.0650 BFGS: 1064 17:43:20 0.639575 0.0644 BFGS: 1065 17:43:20 0.629774 0.0639 BFGS: 1066 17:43:20 0.620057 0.0633 BFGS: 1067 17:43:20 0.610424 0.0628 BFGS: 1068 17:43:20 0.600876 0.0622 BFGS: 1069 17:43:20 0.591411 0.0616 BFGS: 1070 17:43:20 0.582030 0.0611 BFGS: 1071 17:43:20 0.572732 0.0605 BFGS: 1072 17:43:20 0.563518 0.0600 BFGS: 1073 17:43:20 0.554387 0.0595 BFGS: 1074 17:43:20 0.545338 0.0589 BFGS: 1075 17:43:20 0.536373 0.0584 BFGS: 1076 17:43:20 0.527489 0.0578 BFGS: 1077 17:43:20 0.518688 0.0573 BFGS: 1078 17:43:20 0.509968 0.0568 BFGS: 1079 17:43:20 0.501331 0.0565 BFGS: 1080 17:43:20 0.492775 0.0562 BFGS: 1081 17:43:21 0.484300 0.0559 BFGS: 1082 17:43:21 0.475906 0.0556 BFGS: 1083 17:43:21 0.467594 0.0554 BFGS: 1084 17:43:21 0.459362 0.0551 BFGS: 1085 17:43:21 0.451210 0.0548 BFGS: 1086 17:43:21 0.443139 0.0545 BFGS: 1087 17:43:21 0.435148 0.0542 BFGS: 1088 17:43:21 0.427236 0.0540 BFGS: 1089 17:43:21 0.419404 0.0537 BFGS: 1090 17:43:21 0.411652 0.0534 BFGS: 1091 17:43:21 0.403979 0.0532 BFGS: 1092 17:43:21 0.396385 0.0529 BFGS: 1093 17:43:21 0.388870 0.0526 BFGS: 1094 17:43:21 0.381434 0.0523 BFGS: 1095 17:43:21 0.374076 0.0521 BFGS: 1096 17:43:21 0.366796 0.0518 BFGS: 1097 17:43:21 0.359594 0.0516 BFGS: 1098 17:43:21 0.352470 0.0513 BFGS: 1099 17:43:21 0.345424 0.0510 BFGS: 1100 17:43:21 0.338455 0.0508 BFGS: 1101 17:43:21 0.331564 0.0505 BFGS: 1102 17:43:21 0.324749 0.0503 BFGS: 1103 17:43:21 0.318011 0.0500 BFGS: 1104 17:43:21 0.311350 0.0498 BFGS: 1105 17:43:21 0.304766 0.0495 BFGS: 1106 17:43:21 0.298257 0.0492 BFGS: 1107 17:43:21 0.291825 0.0490 BFGS: 1108 17:43:21 0.285469 0.0487 BFGS: 1109 17:43:21 0.279188 0.0485 BFGS: 1110 17:43:21 0.272983 0.0483 BFGS: 1111 17:43:21 0.266853 0.0480 BFGS: 1112 17:43:21 0.260798 0.0478 BFGS: 1113 17:43:21 0.254818 0.0475 BFGS: 1114 17:43:21 0.248912 0.0473 BFGS: 1115 17:43:21 0.243082 0.0470 BFGS: 1116 17:43:21 0.237325 0.0468 BFGS: 1117 17:43:21 0.231643 0.0465 BFGS: 1118 17:43:21 0.226035 0.0463 BFGS: 1119 17:43:21 0.220500 0.0461 BFGS: 1120 17:43:21 0.215039 0.0458 BFGS: 1121 17:43:21 0.209651 0.0456 BFGS: 1122 17:43:21 0.204337 0.0454 BFGS: 1123 17:43:21 0.199096 0.0451 BFGS: 1124 17:43:21 0.193927 0.0449 BFGS: 1125 17:43:21 0.188831 0.0447 BFGS: 1126 17:43:21 0.183808 0.0444 BFGS: 1127 17:43:21 0.178857 0.0442 BFGS: 1128 17:43:21 0.173978 0.0440 BFGS: 1129 17:43:21 0.169171 0.0437 BFGS: 1130 17:43:21 0.164435 0.0435 BFGS: 1131 17:43:21 0.159771 0.0433 BFGS: 1132 17:43:21 0.155179 0.0431 BFGS: 1133 17:43:21 0.150657 0.0428 BFGS: 1134 17:43:21 0.146207 0.0426 BFGS: 1135 17:43:21 0.141828 0.0424 BFGS: 1136 17:43:21 0.137519 0.0421 BFGS: 1137 17:43:21 0.133281 0.0419 BFGS: 1138 17:43:21 0.129112 0.0417 BFGS: 1139 17:43:21 0.125014 0.0415 BFGS: 1140 17:43:21 0.120986 0.0413 BFGS: 1141 17:43:21 0.117028 0.0410 BFGS: 1142 17:43:21 0.113140 0.0408 BFGS: 1143 17:43:21 0.109320 0.0406 BFGS: 1144 17:43:21 0.105570 0.0404 BFGS: 1145 17:43:21 0.101889 0.0401 BFGS: 1146 17:43:21 0.098277 0.0399 BFGS: 1147 17:43:21 0.094734 0.0397 BFGS: 1148 17:43:21 0.091259 0.0395 BFGS: 1149 17:43:21 0.087852 0.0393 BFGS: 1150 17:43:21 0.084514 0.0391 BFGS: 1151 17:43:21 0.081244 0.0388 BFGS: 1152 17:43:21 0.078041 0.0386 BFGS: 1153 17:43:21 0.074906 0.0384 BFGS: 1154 17:43:21 0.071839 0.0382 BFGS: 1155 17:43:21 0.068839 0.0380 BFGS: 1156 17:43:21 0.065906 0.0377 BFGS: 1157 17:43:21 0.063040 0.0375 BFGS: 1158 17:43:21 0.060241 0.0373 BFGS: 1159 17:43:21 0.057509 0.0371 BFGS: 1160 17:43:21 0.054843 0.0369 BFGS: 1161 17:43:22 0.052244 0.0367 BFGS: 1162 17:43:22 0.049710 0.0364 BFGS: 1163 17:43:22 0.047243 0.0362 BFGS: 1164 17:43:22 0.044841 0.0360 BFGS: 1165 17:43:22 0.042505 0.0358 BFGS: 1166 17:43:22 0.040235 0.0356 BFGS: 1167 17:43:22 0.038030 0.0353 BFGS: 1168 17:43:22 0.035890 0.0351 BFGS: 1169 17:43:22 0.033815 0.0349 BFGS: 1170 17:43:22 0.031804 0.0347 BFGS: 1171 17:43:22 0.029859 0.0345 BFGS: 1172 17:43:22 0.027978 0.0342 BFGS: 1173 17:43:22 0.026161 0.0340 BFGS: 1174 17:43:22 0.024408 0.0338 BFGS: 1175 17:43:22 0.022720 0.0336 BFGS: 1176 17:43:22 0.021095 0.0333 BFGS: 1177 17:43:22 0.019534 0.0331 BFGS: 1178 17:43:22 0.018036 0.0329 BFGS: 1179 17:43:22 0.016602 0.0326 BFGS: 1180 17:43:22 0.015231 0.0324 BFGS: 1181 17:43:22 0.013923 0.0322 BFGS: 1182 17:43:22 0.012677 0.0319 BFGS: 1183 17:43:22 0.011495 0.0317 BFGS: 1184 17:43:22 0.010375 0.0314 BFGS: 1185 17:43:22 0.009317 0.0312 BFGS: 1186 17:43:22 0.008322 0.0309 BFGS: 1187 17:43:22 0.007388 0.0307 BFGS: 1188 17:43:22 0.006517 0.0304 BFGS: 1189 17:43:22 0.005707 0.0302 BFGS: 1190 17:43:22 0.004958 0.0299 BFGS: 1191 17:43:22 0.004271 0.0296 BFGS: 1192 17:43:22 0.003645 0.0294 BFGS: 1193 17:43:22 0.003080 0.0291 BFGS: 1194 17:43:22 0.002576 0.0288 BFGS: 1195 17:43:22 0.002132 0.0285 BFGS: 1196 17:43:22 0.001748 0.0282 BFGS: 1197 17:43:22 0.001421 0.0264 BFGS: 1198 17:43:22 0.001129 0.0236 BFGS: 1199 17:43:22 0.000871 0.0207 BFGS: 1200 17:43:22 0.000647 0.0178 BFGS: 1201 17:43:22 0.000456 0.0150 BFGS: 1202 17:43:22 0.000298 0.0121 BFGS: 1203 17:43:22 0.000174 0.0092 BFGS: 1204 17:43:22 0.000083 0.0064 BFGS: 1205 17:43:22 0.000026 0.0035 BFGS: 1206 17:43:22 0.000001 0.0007 BFGS: 1207 17:43:22 0.000000 0.0000 BFGS: 1208 17:43:22 0.000000 0.0000 Minimization converged after 1208 steps. Maximum force component: 2.7424984242635473e-11 eV/Angstrom Maximum stress component: 7.400196272587455e-14 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'] basis = [[0.15877299 0.15877299 0.15877299] [0.84122701 0.84122701 0.15877299] [0.84122701 0.15877299 0.84122701] [0.15877299 0.84122701 0.84122701] [0.15877299 0.15877299 0.84122701] [0.84122701 0.84122701 0.84122701] [0.15877299 0.84122701 0.15877299] [0.84122701 0.15877299 0.15877299] [0.65877299 0.65877299 0.65877299] [0.34122701 0.34122701 0.65877299] [0.34122701 0.65877299 0.34122701] [0.65877299 0.34122701 0.34122701] [0.65877299 0.65877299 0.34122701] [0.34122701 0.34122701 0.34122701] [0.65877299 0.34122701 0.65877299] [0.34122701 0.65877299 0.65877299]] cellpar = Cell([[23.25804847663311, -2.692581523964988e-31, -1.9756845837750737e-32], [-4.522196905768427e-31, 23.25804847663311, -4.035800133502167e-17], [1.9269979316344262e-31, -4.0358001335021666e-17, 23.25804847663311]]) forces = [[-2.74249842e-11 -2.74249842e-11 -2.74249842e-11] [ 2.74249842e-11 2.74249842e-11 -2.74249842e-11] [ 2.74249842e-11 -2.74249842e-11 2.74249842e-11] [-2.74249842e-11 2.74249842e-11 2.74249842e-11] [-2.74249842e-11 -2.74249842e-11 2.74249842e-11] [ 2.74249842e-11 2.74249842e-11 2.74249842e-11] [-2.74249842e-11 2.74249842e-11 -2.74249842e-11] [ 2.74249842e-11 -2.74249842e-11 -2.74249842e-11] [-2.74249842e-11 -2.74249842e-11 -2.74249842e-11] [ 2.74249842e-11 2.74249842e-11 -2.74249842e-11] [ 2.74249842e-11 -2.74249842e-11 2.74249842e-11] [-2.74249842e-11 2.74249842e-11 2.74249842e-11] [-2.74249842e-11 -2.74249842e-11 2.74249842e-11] [ 2.74249842e-11 2.74249842e-11 2.74249842e-11] [-2.74249842e-11 2.74249842e-11 -2.74249842e-11] [ 2.74249842e-11 -2.74249842e-11 -2.74249842e-11]] stress = [-7.40019627e-14 -7.40019627e-14 -7.40019627e-14 -6.14456439e-30 7.12072049e-37 3.55555637e-53] energy per atom = 5.551115123125783e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0