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 15:56:12 1805.721516 183.001519 BFGS: 1 15:56:12 1778.026798 179.310145 BFGS: 2 15:56:12 1751.815153 175.752181 BFGS: 3 15:56:12 1725.692274 172.256353 BFGS: 4 15:56:12 1700.103077 168.842766 BFGS: 5 15:56:12 1675.019611 165.517515 BFGS: 6 15:56:12 1650.428542 162.273075 BFGS: 7 15:56:12 1626.318525 159.102798 BFGS: 8 15:56:12 1602.678639 156.004594 BFGS: 9 15:56:12 1579.498228 152.976433 BFGS: 10 15:56:12 1556.766934 150.016355 BFGS: 11 15:56:12 1534.474687 147.122458 BFGS: 12 15:56:12 1512.611697 144.292904 BFGS: 13 15:56:12 1491.167637 141.542914 BFGS: 14 15:56:12 1470.130047 138.869686 BFGS: 15 15:56:12 1449.488322 136.262177 BFGS: 16 15:56:12 1429.233552 133.711817 BFGS: 17 15:56:12 1409.357193 131.217038 BFGS: 18 15:56:12 1389.850925 128.777807 BFGS: 19 15:56:12 1370.706440 126.391854 BFGS: 20 15:56:12 1351.915960 124.057060 BFGS: 21 15:56:12 1333.471950 121.772051 BFGS: 22 15:56:12 1315.365344 119.559515 BFGS: 23 15:56:13 1297.586984 117.395262 BFGS: 24 15:56:13 1280.129825 115.278549 BFGS: 25 15:56:13 1262.986352 113.210651 BFGS: 26 15:56:13 1246.149646 111.185956 BFGS: 27 15:56:13 1229.613424 109.203329 BFGS: 28 15:56:13 1213.371496 107.261668 BFGS: 29 15:56:13 1197.417812 105.359905 BFGS: 30 15:56:13 1181.745661 103.508421 BFGS: 31 15:56:13 1166.348627 101.695338 BFGS: 32 15:56:13 1151.220919 99.922016 BFGS: 33 15:56:13 1136.354914 98.205248 BFGS: 34 15:56:13 1121.743952 96.531497 BFGS: 35 15:56:13 1107.381103 94.894979 BFGS: 36 15:56:13 1093.261196 93.291253 BFGS: 37 15:56:13 1079.379422 91.719486 BFGS: 38 15:56:13 1065.731067 90.178867 BFGS: 39 15:56:13 1052.311528 88.668612 BFGS: 40 15:56:13 1039.116311 87.187955 BFGS: 41 15:56:13 1026.141035 85.736157 BFGS: 42 15:56:13 1013.381426 84.312498 BFGS: 43 15:56:13 1000.833317 82.916278 BFGS: 44 15:56:13 988.492618 81.548146 BFGS: 45 15:56:13 976.354765 80.210381 BFGS: 46 15:56:13 964.415582 78.898024 BFGS: 47 15:56:13 952.671346 77.610454 BFGS: 48 15:56:13 941.118409 76.347068 BFGS: 49 15:56:13 929.753200 75.107278 BFGS: 50 15:56:13 918.572229 73.890516 BFGS: 51 15:56:13 907.572088 72.696227 BFGS: 52 15:56:13 896.749449 71.523872 BFGS: 53 15:56:13 886.101061 70.372929 BFGS: 54 15:56:13 875.623753 69.242888 BFGS: 55 15:56:13 865.314119 68.142574 BFGS: 56 15:56:13 855.167013 67.073708 BFGS: 57 15:56:13 845.179201 66.024110 BFGS: 58 15:56:13 835.347678 64.993327 BFGS: 59 15:56:13 825.669566 63.980915 BFGS: 60 15:56:13 816.141894 62.991572 BFGS: 61 15:56:13 806.760689 62.024908 BFGS: 62 15:56:13 797.523071 61.075272 BFGS: 63 15:56:13 788.426568 60.142272 BFGS: 64 15:56:13 779.468747 59.225525 BFGS: 65 15:56:13 770.647219 58.324660 BFGS: 66 15:56:13 761.959643 57.439314 BFGS: 67 15:56:13 753.402600 56.586382 BFGS: 68 15:56:13 744.972159 55.750650 BFGS: 69 15:56:13 736.666106 54.929231 BFGS: 70 15:56:13 728.482293 54.121802 BFGS: 71 15:56:13 720.418626 53.328050 BFGS: 72 15:56:13 712.473065 52.547667 BFGS: 73 15:56:13 704.643618 51.780357 BFGS: 74 15:56:13 696.928341 51.025828 BFGS: 75 15:56:13 689.325333 50.283798 BFGS: 76 15:56:13 681.832738 49.553993 BFGS: 77 15:56:13 674.448740 48.836143 BFGS: 78 15:56:13 667.171565 48.129989 BFGS: 79 15:56:13 659.999475 47.435275 BFGS: 80 15:56:13 652.930774 46.751754 BFGS: 81 15:56:13 645.962625 46.096184 BFGS: 82 15:56:13 639.092015 45.452566 BFGS: 83 15:56:13 632.317216 44.822035 BFGS: 84 15:56:13 625.636217 44.203348 BFGS: 85 15:56:13 619.047468 43.594513 BFGS: 86 15:56:13 612.549467 42.995319 BFGS: 87 15:56:13 606.140756 42.405561 BFGS: 88 15:56:13 599.819912 41.825040 BFGS: 89 15:56:13 593.585241 41.257818 BFGS: 90 15:56:13 587.434956 40.699628 BFGS: 91 15:56:13 581.367751 40.150070 BFGS: 92 15:56:13 575.382350 39.608962 BFGS: 93 15:56:13 569.477504 39.076130 BFGS: 94 15:56:14 563.651981 38.551808 BFGS: 95 15:56:14 557.904441 38.036434 BFGS: 96 15:56:14 552.233678 37.528822 BFGS: 97 15:56:14 546.638535 37.028812 BFGS: 98 15:56:14 541.117878 36.536251 BFGS: 99 15:56:14 535.670599 36.050988 BFGS: 100 15:56:14 530.295611 35.572874 BFGS: 101 15:56:14 524.991851 35.101767 BFGS: 102 15:56:14 519.758276 34.637526 BFGS: 103 15:56:14 514.593867 34.180014 BFGS: 104 15:56:14 509.497622 33.729097 BFGS: 105 15:56:14 504.468560 33.284645 BFGS: 106 15:56:14 499.505723 32.846532 BFGS: 107 15:56:14 494.608167 32.414631 BFGS: 108 15:56:14 489.774968 31.988823 BFGS: 109 15:56:14 485.005223 31.568989 BFGS: 110 15:56:14 480.298043 31.155013 BFGS: 111 15:56:14 475.652558 30.746782 BFGS: 112 15:56:14 471.067914 30.344186 BFGS: 113 15:56:14 466.543274 29.947116 BFGS: 114 15:56:14 462.077816 29.555469 BFGS: 115 15:56:14 457.670735 29.169141 BFGS: 116 15:56:14 453.321241 28.788031 BFGS: 117 15:56:14 449.028557 28.412043 BFGS: 118 15:56:14 444.791866 28.043513 BFGS: 119 15:56:14 440.609572 27.685213 BFGS: 120 15:56:14 436.480645 27.331693 BFGS: 121 15:56:14 432.404382 26.982864 BFGS: 122 15:56:14 428.380091 26.638639 BFGS: 123 15:56:14 424.407094 26.298933 BFGS: 124 15:56:14 420.483836 25.976991 BFGS: 125 15:56:14 416.608184 25.661137 BFGS: 126 15:56:14 412.779495 25.349449 BFGS: 127 15:56:14 408.997165 25.041850 BFGS: 128 15:56:14 405.260600 24.738265 BFGS: 129 15:56:14 401.569216 24.438619 BFGS: 130 15:56:14 397.922437 24.142840 BFGS: 131 15:56:14 394.319697 23.850859 BFGS: 132 15:56:14 390.760439 23.562607 BFGS: 133 15:56:14 387.244116 23.278016 BFGS: 134 15:56:14 383.770188 22.997022 BFGS: 135 15:56:14 380.338125 22.719559 BFGS: 136 15:56:14 376.947407 22.445566 BFGS: 137 15:56:14 373.597522 22.174981 BFGS: 138 15:56:14 370.287965 21.907744 BFGS: 139 15:56:14 367.017734 21.653556 BFGS: 140 15:56:14 363.784804 21.406904 BFGS: 141 15:56:14 360.588601 21.163325 BFGS: 142 15:56:14 357.428674 20.922767 BFGS: 143 15:56:14 354.304579 20.685174 BFGS: 144 15:56:14 351.215879 20.450497 BFGS: 145 15:56:14 348.162144 20.218684 BFGS: 146 15:56:14 345.142953 19.989685 BFGS: 147 15:56:14 342.157888 19.763452 BFGS: 148 15:56:14 339.206542 19.539938 BFGS: 149 15:56:14 336.288513 19.319097 BFGS: 150 15:56:14 333.403404 19.100882 BFGS: 151 15:56:14 330.550828 18.885249 BFGS: 152 15:56:14 327.730402 18.672156 BFGS: 153 15:56:14 324.941749 18.461559 BFGS: 154 15:56:14 322.184500 18.253416 BFGS: 155 15:56:14 319.458290 18.047687 BFGS: 156 15:56:14 316.762762 17.844331 BFGS: 157 15:56:14 314.097564 17.643311 BFGS: 158 15:56:14 311.462348 17.444586 BFGS: 159 15:56:14 308.856775 17.248121 BFGS: 160 15:56:14 306.280508 17.053877 BFGS: 161 15:56:14 303.733029 16.864660 BFGS: 162 15:56:14 301.213772 16.677873 BFGS: 163 15:56:14 298.722199 16.497484 BFGS: 164 15:56:14 296.257316 16.321168 BFGS: 165 15:56:14 293.818773 16.146830 BFGS: 166 15:56:14 291.406272 15.974439 BFGS: 167 15:56:14 289.019521 15.803964 BFGS: 168 15:56:14 286.658234 15.635373 BFGS: 169 15:56:14 284.322128 15.468638 BFGS: 170 15:56:14 282.010925 15.303729 BFGS: 171 15:56:14 279.724175 15.146010 BFGS: 172 15:56:14 277.460170 14.997087 BFGS: 173 15:56:15 275.218320 14.849829 BFGS: 174 15:56:15 272.998380 14.704208 BFGS: 175 15:56:15 270.800112 14.560198 BFGS: 176 15:56:15 268.623280 14.417773 BFGS: 177 15:56:15 266.467651 14.276908 BFGS: 178 15:56:15 264.332997 14.137578 BFGS: 179 15:56:15 262.219093 13.999759 BFGS: 180 15:56:15 260.125717 13.863426 BFGS: 181 15:56:15 258.052649 13.728558 BFGS: 182 15:56:15 255.999676 13.595130 BFGS: 183 15:56:15 253.966583 13.463121 BFGS: 184 15:56:15 251.953163 13.332509 BFGS: 185 15:56:15 249.959209 13.203272 BFGS: 186 15:56:15 247.984519 13.075389 BFGS: 187 15:56:15 246.028892 12.948840 BFGS: 188 15:56:15 244.092131 12.823604 BFGS: 189 15:56:15 242.174043 12.699661 BFGS: 190 15:56:15 240.274254 12.579624 BFGS: 191 15:56:15 238.392397 12.460927 BFGS: 192 15:56:15 236.528289 12.343443 BFGS: 193 15:56:15 234.681747 12.227153 BFGS: 194 15:56:15 232.852592 12.112040 BFGS: 195 15:56:15 231.040645 11.998087 BFGS: 196 15:56:15 229.245735 11.885276 BFGS: 197 15:56:15 227.467688 11.773592 BFGS: 198 15:56:15 225.706336 11.663017 BFGS: 199 15:56:15 223.961513 11.553536 BFGS: 200 15:56:15 222.233055 11.445133 BFGS: 201 15:56:15 220.520800 11.337793 BFGS: 202 15:56:15 218.824589 11.231500 BFGS: 203 15:56:15 217.144265 11.126240 BFGS: 204 15:56:15 215.479675 11.021997 BFGS: 205 15:56:15 213.830665 10.918758 BFGS: 206 15:56:15 212.197086 10.816509 BFGS: 207 15:56:15 210.578789 10.715234 BFGS: 208 15:56:15 208.975630 10.614922 BFGS: 209 15:56:15 207.387464 10.515559 BFGS: 210 15:56:15 205.814149 10.417131 BFGS: 211 15:56:15 204.255546 10.319625 BFGS: 212 15:56:15 202.711517 10.223030 BFGS: 213 15:56:15 201.181927 10.127331 BFGS: 214 15:56:15 199.666640 10.032518 BFGS: 215 15:56:15 198.165526 9.938579 BFGS: 216 15:56:15 196.678454 9.845500 BFGS: 217 15:56:15 195.205294 9.753271 BFGS: 218 15:56:15 193.745922 9.661881 BFGS: 219 15:56:15 192.300211 9.571318 BFGS: 220 15:56:15 190.868037 9.481571 BFGS: 221 15:56:15 189.449281 9.392629 BFGS: 222 15:56:15 188.043820 9.304482 BFGS: 223 15:56:15 186.651537 9.217120 BFGS: 224 15:56:15 185.272315 9.130531 BFGS: 225 15:56:15 183.906039 9.044706 BFGS: 226 15:56:15 182.552593 8.959635 BFGS: 227 15:56:15 181.211867 8.875309 BFGS: 228 15:56:15 179.883749 8.791717 BFGS: 229 15:56:15 178.568130 8.708850 BFGS: 230 15:56:15 177.264901 8.626699 BFGS: 231 15:56:15 175.973957 8.545254 BFGS: 232 15:56:15 174.695190 8.464508 BFGS: 233 15:56:15 173.428498 8.384450 BFGS: 234 15:56:15 172.173778 8.305073 BFGS: 235 15:56:15 170.930929 8.226368 BFGS: 236 15:56:15 169.699849 8.148325 BFGS: 237 15:56:15 168.480440 8.071330 BFGS: 238 15:56:15 167.271950 8.002902 BFGS: 239 15:56:15 166.073617 7.935540 BFGS: 240 15:56:15 164.885347 7.868755 BFGS: 241 15:56:15 163.707054 7.802541 BFGS: 242 15:56:15 162.538652 7.736891 BFGS: 243 15:56:15 161.380058 7.671798 BFGS: 244 15:56:15 160.231190 7.607253 BFGS: 245 15:56:15 159.091966 7.543252 BFGS: 246 15:56:15 157.962306 7.479786 BFGS: 247 15:56:15 156.842130 7.416850 BFGS: 248 15:56:15 155.731359 7.354435 BFGS: 249 15:56:15 154.629916 7.292538 BFGS: 250 15:56:15 153.537724 7.231150 BFGS: 251 15:56:15 152.454708 7.170265 BFGS: 252 15:56:15 151.380793 7.109878 BFGS: 253 15:56:15 150.315904 7.049982 BFGS: 254 15:56:16 149.259970 6.990572 BFGS: 255 15:56:16 148.212918 6.931642 BFGS: 256 15:56:16 147.174676 6.873185 BFGS: 257 15:56:16 146.145174 6.815196 BFGS: 258 15:56:16 145.124343 6.757670 BFGS: 259 15:56:16 144.112114 6.700602 BFGS: 260 15:56:16 143.108418 6.643984 BFGS: 261 15:56:16 142.113190 6.587814 BFGS: 262 15:56:16 141.126362 6.532084 BFGS: 263 15:56:16 140.147869 6.476791 BFGS: 264 15:56:16 139.177646 6.421929 BFGS: 265 15:56:16 138.215629 6.367492 BFGS: 266 15:56:16 137.261755 6.313477 BFGS: 267 15:56:16 136.315961 6.259878 BFGS: 268 15:56:16 135.378185 6.206690 BFGS: 269 15:56:16 134.448367 6.153909 BFGS: 270 15:56:16 133.526444 6.101530 BFGS: 271 15:56:16 132.612346 6.050144 BFGS: 272 15:56:16 131.705791 6.000673 BFGS: 273 15:56:16 130.806638 5.951578 BFGS: 274 15:56:16 129.914833 5.902855 BFGS: 275 15:56:16 129.030320 5.854499 BFGS: 276 15:56:16 128.153043 5.806508 BFGS: 277 15:56:16 127.282950 5.758875 BFGS: 278 15:56:16 126.419987 5.711599 BFGS: 279 15:56:16 125.564099 5.664674 BFGS: 280 15:56:16 124.715236 5.618097 BFGS: 281 15:56:16 123.873346 5.571864 BFGS: 282 15:56:16 123.038376 5.525971 BFGS: 283 15:56:16 122.210277 5.480414 BFGS: 284 15:56:16 121.388998 5.435190 BFGS: 285 15:56:16 120.574490 5.390295 BFGS: 286 15:56:16 119.766704 5.345726 BFGS: 287 15:56:16 118.965591 5.301479 BFGS: 288 15:56:16 118.171104 5.257551 BFGS: 289 15:56:16 117.383195 5.213938 BFGS: 290 15:56:16 116.601816 5.170637 BFGS: 291 15:56:16 115.826922 5.127645 BFGS: 292 15:56:16 115.058466 5.084958 BFGS: 293 15:56:16 114.296403 5.042573 BFGS: 294 15:56:16 113.540689 5.000487 BFGS: 295 15:56:16 112.791278 4.958697 BFGS: 296 15:56:16 112.048126 4.917200 BFGS: 297 15:56:16 111.311190 4.875992 BFGS: 298 15:56:16 110.580427 4.835072 BFGS: 299 15:56:16 109.855793 4.794435 BFGS: 300 15:56:16 109.137248 4.754079 BFGS: 301 15:56:16 108.424748 4.714001 BFGS: 302 15:56:16 107.718252 4.674198 BFGS: 303 15:56:16 107.017720 4.634668 BFGS: 304 15:56:16 106.323110 4.595407 BFGS: 305 15:56:16 105.634384 4.556413 BFGS: 306 15:56:16 104.951500 4.517684 BFGS: 307 15:56:16 104.274419 4.479216 BFGS: 308 15:56:16 103.603103 4.441008 BFGS: 309 15:56:16 102.937513 4.403055 BFGS: 310 15:56:16 102.277610 4.365357 BFGS: 311 15:56:16 101.623357 4.327910 BFGS: 312 15:56:16 100.974717 4.290713 BFGS: 313 15:56:16 100.331652 4.253761 BFGS: 314 15:56:16 99.694125 4.217054 BFGS: 315 15:56:16 99.062100 4.180589 BFGS: 316 15:56:16 98.435542 4.144363 BFGS: 317 15:56:16 97.814414 4.108374 BFGS: 318 15:56:16 97.198681 4.072620 BFGS: 319 15:56:16 96.588308 4.037099 BFGS: 320 15:56:16 95.983260 4.001808 BFGS: 321 15:56:16 95.383503 3.966745 BFGS: 322 15:56:16 94.789004 3.931909 BFGS: 323 15:56:16 94.199727 3.897296 BFGS: 324 15:56:16 93.615641 3.862905 BFGS: 325 15:56:16 93.036711 3.828734 BFGS: 326 15:56:16 92.462906 3.794781 BFGS: 327 15:56:16 91.894192 3.761043 BFGS: 328 15:56:16 91.330537 3.727519 BFGS: 329 15:56:16 90.771910 3.694206 BFGS: 330 15:56:16 90.218104 3.663975 BFGS: 331 15:56:16 89.668777 3.634481 BFGS: 332 15:56:16 89.123897 3.605174 BFGS: 333 15:56:16 88.583435 3.576050 BFGS: 334 15:56:16 88.047363 3.547110 BFGS: 335 15:56:17 87.515652 3.518351 BFGS: 336 15:56:17 86.988275 3.489771 BFGS: 337 15:56:17 86.465205 3.461368 BFGS: 338 15:56:17 85.946415 3.433143 BFGS: 339 15:56:17 85.431876 3.405091 BFGS: 340 15:56:17 84.921564 3.377213 BFGS: 341 15:56:17 84.415450 3.349506 BFGS: 342 15:56:17 83.913510 3.321969 BFGS: 343 15:56:17 83.415717 3.294601 BFGS: 344 15:56:17 82.922045 3.267400 BFGS: 345 15:56:17 82.432470 3.240364 BFGS: 346 15:56:17 81.946686 3.218474 BFGS: 347 15:56:17 81.464009 3.198336 BFGS: 348 15:56:17 80.984389 3.178324 BFGS: 349 15:56:17 80.507807 3.158438 BFGS: 350 15:56:17 80.034242 3.138675 BFGS: 351 15:56:17 79.563675 3.119035 BFGS: 352 15:56:17 79.096085 3.099517 BFGS: 353 15:56:17 78.631455 3.080119 BFGS: 354 15:56:17 78.169763 3.060841 BFGS: 355 15:56:17 77.710992 3.041681 BFGS: 356 15:56:17 77.255123 3.022638 BFGS: 357 15:56:17 76.802136 3.003712 BFGS: 358 15:56:17 76.352014 2.984901 BFGS: 359 15:56:17 75.904739 2.966205 BFGS: 360 15:56:17 75.460292 2.947621 BFGS: 361 15:56:17 75.018655 2.929150 BFGS: 362 15:56:17 74.579812 2.910791 BFGS: 363 15:56:17 74.143744 2.892541 BFGS: 364 15:56:17 73.710434 2.874401 BFGS: 365 15:56:17 73.279865 2.856370 BFGS: 366 15:56:17 72.852020 2.838446 BFGS: 367 15:56:17 72.426882 2.820628 BFGS: 368 15:56:17 72.004435 2.802916 BFGS: 369 15:56:17 71.584662 2.785309 BFGS: 370 15:56:17 71.167547 2.767806 BFGS: 371 15:56:17 70.753073 2.750406 BFGS: 372 15:56:17 70.341225 2.733108 BFGS: 373 15:56:17 69.931987 2.715911 BFGS: 374 15:56:17 69.525343 2.698815 BFGS: 375 15:56:17 69.121277 2.681818 BFGS: 376 15:56:17 68.719774 2.664920 BFGS: 377 15:56:17 68.320819 2.648120 BFGS: 378 15:56:17 67.924397 2.631417 BFGS: 379 15:56:17 67.530492 2.614811 BFGS: 380 15:56:17 67.139089 2.598299 BFGS: 381 15:56:17 66.750175 2.581883 BFGS: 382 15:56:17 66.363734 2.565560 BFGS: 383 15:56:17 65.979752 2.549331 BFGS: 384 15:56:17 65.598214 2.533194 BFGS: 385 15:56:17 65.219106 2.517149 BFGS: 386 15:56:17 64.842415 2.501194 BFGS: 387 15:56:17 64.468126 2.485330 BFGS: 388 15:56:17 64.096225 2.469555 BFGS: 389 15:56:17 63.726699 2.453869 BFGS: 390 15:56:17 63.359533 2.438271 BFGS: 391 15:56:17 62.994715 2.422760 BFGS: 392 15:56:17 62.632231 2.407336 BFGS: 393 15:56:17 62.272068 2.391997 BFGS: 394 15:56:17 61.914213 2.376744 BFGS: 395 15:56:17 61.558651 2.361576 BFGS: 396 15:56:17 61.205372 2.346491 BFGS: 397 15:56:17 60.854361 2.331490 BFGS: 398 15:56:17 60.505606 2.316571 BFGS: 399 15:56:17 60.159095 2.301734 BFGS: 400 15:56:17 59.814814 2.286978 BFGS: 401 15:56:17 59.472752 2.272303 BFGS: 402 15:56:17 59.132896 2.257708 BFGS: 403 15:56:17 58.795233 2.243193 BFGS: 404 15:56:17 58.459753 2.228756 BFGS: 405 15:56:17 58.126442 2.214397 BFGS: 406 15:56:17 57.795289 2.200116 BFGS: 407 15:56:17 57.466282 2.185912 BFGS: 408 15:56:17 57.139409 2.171784 BFGS: 409 15:56:17 56.814659 2.157732 BFGS: 410 15:56:17 56.492019 2.143755 BFGS: 411 15:56:17 56.171479 2.129853 BFGS: 412 15:56:17 55.853028 2.116025 BFGS: 413 15:56:17 55.536653 2.102271 BFGS: 414 15:56:17 55.222344 2.088589 BFGS: 415 15:56:17 54.910068 2.075602 BFGS: 416 15:56:18 54.599674 2.063373 BFGS: 417 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15:56:21 10.413505 0.372923 BFGS: 733 15:56:21 10.356966 0.370689 BFGS: 734 15:56:21 10.300655 0.368471 BFGS: 735 15:56:21 10.244570 0.366268 BFGS: 736 15:56:21 10.188711 0.364081 BFGS: 737 15:56:21 10.133077 0.362381 BFGS: 738 15:56:21 10.077668 0.360946 BFGS: 739 15:56:21 10.022482 0.359516 BFGS: 740 15:56:21 9.967518 0.358090 BFGS: 741 15:56:21 9.912777 0.356670 BFGS: 742 15:56:22 9.858256 0.355254 BFGS: 743 15:56:22 9.803956 0.353843 BFGS: 744 15:56:22 9.749875 0.352436 BFGS: 745 15:56:22 9.696013 0.351034 BFGS: 746 15:56:22 9.642368 0.349637 BFGS: 747 15:56:22 9.588941 0.348244 BFGS: 748 15:56:22 9.535730 0.346857 BFGS: 749 15:56:22 9.482735 0.345473 BFGS: 750 15:56:22 9.429955 0.344095 BFGS: 751 15:56:22 9.377388 0.342720 BFGS: 752 15:56:22 9.325035 0.341351 BFGS: 753 15:56:22 9.272894 0.339986 BFGS: 754 15:56:22 9.220966 0.338625 BFGS: 755 15:56:22 9.169248 0.337269 BFGS: 756 15:56:22 9.117741 0.335917 BFGS: 757 15:56:22 9.066443 0.334570 BFGS: 758 15:56:22 9.015354 0.333227 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BFGS: 786 15:56:22 7.666805 0.297344 BFGS: 787 15:56:22 7.621471 0.296121 BFGS: 788 15:56:22 7.576325 0.294902 BFGS: 789 15:56:22 7.531368 0.293687 BFGS: 790 15:56:22 7.486598 0.292475 BFGS: 791 15:56:22 7.442015 0.291268 BFGS: 792 15:56:22 7.397618 0.290064 BFGS: 793 15:56:22 7.353406 0.288864 BFGS: 794 15:56:22 7.309379 0.287668 BFGS: 795 15:56:22 7.265536 0.286475 BFGS: 796 15:56:22 7.221878 0.285286 BFGS: 797 15:56:22 7.178402 0.284101 BFGS: 798 15:56:22 7.135108 0.282920 BFGS: 799 15:56:22 7.091997 0.281742 BFGS: 800 15:56:22 7.049066 0.280568 BFGS: 801 15:56:22 7.006317 0.279398 BFGS: 802 15:56:22 6.963747 0.278231 BFGS: 803 15:56:22 6.921357 0.277068 BFGS: 804 15:56:22 6.879146 0.275909 BFGS: 805 15:56:22 6.837114 0.274753 BFGS: 806 15:56:22 6.795259 0.273601 BFGS: 807 15:56:22 6.753581 0.272452 BFGS: 808 15:56:22 6.712080 0.271307 BFGS: 809 15:56:22 6.670755 0.270166 BFGS: 810 15:56:22 6.629606 0.269027 BFGS: 811 15:56:22 6.588631 0.267893 BFGS: 812 15:56:22 6.547831 0.266762 BFGS: 813 15:56:22 6.507204 0.265634 BFGS: 814 15:56:22 6.466751 0.264510 BFGS: 815 15:56:22 6.426471 0.263389 BFGS: 816 15:56:22 6.386362 0.262272 BFGS: 817 15:56:22 6.346426 0.261158 BFGS: 818 15:56:22 6.306660 0.260048 BFGS: 819 15:56:22 6.267065 0.258941 BFGS: 820 15:56:22 6.227640 0.257837 BFGS: 821 15:56:22 6.188384 0.256737 BFGS: 822 15:56:22 6.149297 0.255640 BFGS: 823 15:56:22 6.110379 0.254547 BFGS: 824 15:56:23 6.071628 0.253456 BFGS: 825 15:56:23 6.033045 0.252370 BFGS: 826 15:56:23 5.994628 0.251286 BFGS: 827 15:56:23 5.956378 0.250206 BFGS: 828 15:56:23 5.918293 0.249129 BFGS: 829 15:56:23 5.880374 0.248055 BFGS: 830 15:56:23 5.842619 0.246984 BFGS: 831 15:56:23 5.805028 0.245917 BFGS: 832 15:56:23 5.767601 0.244853 BFGS: 833 15:56:23 5.730338 0.243792 BFGS: 834 15:56:23 5.693236 0.242734 BFGS: 835 15:56:23 5.656297 0.241680 BFGS: 836 15:56:23 5.619520 0.240628 BFGS: 837 15:56:23 5.582904 0.239580 BFGS: 838 15:56:23 5.546448 0.238535 BFGS: 839 15:56:23 5.510153 0.237493 BFGS: 840 15:56:23 5.474017 0.236455 BFGS: 841 15:56:23 5.438040 0.235419 BFGS: 842 15:56:23 5.402222 0.234386 BFGS: 843 15:56:23 5.366562 0.233357 BFGS: 844 15:56:23 5.331060 0.232330 BFGS: 845 15:56:23 5.295715 0.231307 BFGS: 846 15:56:23 5.260526 0.230287 BFGS: 847 15:56:23 5.225494 0.229269 BFGS: 848 15:56:23 5.190618 0.228255 BFGS: 849 15:56:23 5.155897 0.227244 BFGS: 850 15:56:23 5.121330 0.226236 BFGS: 851 15:56:23 5.086918 0.225230 BFGS: 852 15:56:23 5.052660 0.224228 BFGS: 853 15:56:23 5.018555 0.223229 BFGS: 854 15:56:23 4.984603 0.222233 BFGS: 855 15:56:23 4.950803 0.221239 BFGS: 856 15:56:23 4.917156 0.220249 BFGS: 857 15:56:23 4.883660 0.219261 BFGS: 858 15:56:23 4.850315 0.218276 BFGS: 859 15:56:23 4.817120 0.217295 BFGS: 860 15:56:23 4.784076 0.216316 BFGS: 861 15:56:23 4.751181 0.215340 BFGS: 862 15:56:23 4.718436 0.214367 BFGS: 863 15:56:23 4.685839 0.213396 BFGS: 864 15:56:23 4.653391 0.212429 BFGS: 865 15:56:23 4.621091 0.211464 BFGS: 866 15:56:23 4.588938 0.210503 BFGS: 867 15:56:23 4.556932 0.209544 BFGS: 868 15:56:23 4.525072 0.208588 BFGS: 869 15:56:23 4.493359 0.207634 BFGS: 870 15:56:23 4.461791 0.206684 BFGS: 871 15:56:23 4.430369 0.205736 BFGS: 872 15:56:23 4.399091 0.204791 BFGS: 873 15:56:23 4.367958 0.203848 BFGS: 874 15:56:23 4.336969 0.202909 BFGS: 875 15:56:23 4.306123 0.201972 BFGS: 876 15:56:23 4.275420 0.201038 BFGS: 877 15:56:23 4.244860 0.200106 BFGS: 878 15:56:23 4.214442 0.199178 BFGS: 879 15:56:23 4.184166 0.198252 BFGS: 880 15:56:23 4.154032 0.197328 BFGS: 881 15:56:23 4.124038 0.196408 BFGS: 882 15:56:23 4.094185 0.195490 BFGS: 883 15:56:23 4.064472 0.194574 BFGS: 884 15:56:23 4.034899 0.193661 BFGS: 885 15:56:23 4.005465 0.192751 BFGS: 886 15:56:23 3.976169 0.191844 BFGS: 887 15:56:23 3.947013 0.190939 BFGS: 888 15:56:23 3.917994 0.190037 BFGS: 889 15:56:23 3.889114 0.189137 BFGS: 890 15:56:23 3.860370 0.188240 BFGS: 891 15:56:23 3.831763 0.187345 BFGS: 892 15:56:23 3.803293 0.186453 BFGS: 893 15:56:23 3.774959 0.185564 BFGS: 894 15:56:23 3.746760 0.184677 BFGS: 895 15:56:23 3.718697 0.183792 BFGS: 896 15:56:23 3.690769 0.182910 BFGS: 897 15:56:23 3.662975 0.182031 BFGS: 898 15:56:23 3.635315 0.181154 BFGS: 899 15:56:23 3.607789 0.180280 BFGS: 900 15:56:23 3.580396 0.179408 BFGS: 901 15:56:23 3.553136 0.178539 BFGS: 902 15:56:23 3.526009 0.177672 BFGS: 903 15:56:23 3.499013 0.176807 BFGS: 904 15:56:23 3.472150 0.175945 BFGS: 905 15:56:23 3.445418 0.175086 BFGS: 906 15:56:24 3.418817 0.174229 BFGS: 907 15:56:24 3.392346 0.173374 BFGS: 908 15:56:24 3.366006 0.172522 BFGS: 909 15:56:24 3.339796 0.171672 BFGS: 910 15:56:24 3.313715 0.170824 BFGS: 911 15:56:24 3.287763 0.169979 BFGS: 912 15:56:24 3.261940 0.169136 BFGS: 913 15:56:24 3.236245 0.168296 BFGS: 914 15:56:24 3.210678 0.167458 BFGS: 915 15:56:24 3.185239 0.166623 BFGS: 916 15:56:24 3.159928 0.165789 BFGS: 917 15:56:24 3.134743 0.164958 BFGS: 918 15:56:24 3.109684 0.164130 BFGS: 919 15:56:24 3.084752 0.163303 BFGS: 920 15:56:24 3.059946 0.162479 BFGS: 921 15:56:24 3.035265 0.161658 BFGS: 922 15:56:24 3.010709 0.160838 BFGS: 923 15:56:24 2.986278 0.160021 BFGS: 924 15:56:24 2.961972 0.159207 BFGS: 925 15:56:24 2.937789 0.158394 BFGS: 926 15:56:24 2.913730 0.157584 BFGS: 927 15:56:24 2.889794 0.156776 BFGS: 928 15:56:24 2.865982 0.155970 BFGS: 929 15:56:24 2.842292 0.155167 BFGS: 930 15:56:24 2.818724 0.154365 BFGS: 931 15:56:24 2.795278 0.153566 BFGS: 932 15:56:24 2.771954 0.152769 BFGS: 933 15:56:24 2.748751 0.151975 BFGS: 934 15:56:24 2.725669 0.151182 BFGS: 935 15:56:24 2.702707 0.150392 BFGS: 936 15:56:24 2.679866 0.149604 BFGS: 937 15:56:24 2.657144 0.148818 BFGS: 938 15:56:24 2.634542 0.148035 BFGS: 939 15:56:24 2.612060 0.147253 BFGS: 940 15:56:24 2.589696 0.146474 BFGS: 941 15:56:24 2.567450 0.145697 BFGS: 942 15:56:24 2.545323 0.144922 BFGS: 943 15:56:24 2.523314 0.144149 BFGS: 944 15:56:24 2.501422 0.143378 BFGS: 945 15:56:24 2.479648 0.142609 BFGS: 946 15:56:24 2.457990 0.141843 BFGS: 947 15:56:24 2.436449 0.141078 BFGS: 948 15:56:24 2.415024 0.140316 BFGS: 949 15:56:24 2.393715 0.139556 BFGS: 950 15:56:24 2.372521 0.138797 BFGS: 951 15:56:24 2.351443 0.138041 BFGS: 952 15:56:24 2.330480 0.137287 BFGS: 953 15:56:24 2.309631 0.136535 BFGS: 954 15:56:24 2.288897 0.135785 BFGS: 955 15:56:24 2.268276 0.135037 BFGS: 956 15:56:24 2.247769 0.134292 BFGS: 957 15:56:24 2.227376 0.133548 BFGS: 958 15:56:24 2.207095 0.132806 BFGS: 959 15:56:24 2.186928 0.132066 BFGS: 960 15:56:24 2.166872 0.131329 BFGS: 961 15:56:24 2.146929 0.130593 BFGS: 962 15:56:24 2.127097 0.129859 BFGS: 963 15:56:24 2.107377 0.129128 BFGS: 964 15:56:24 2.087768 0.128398 BFGS: 965 15:56:24 2.068270 0.127670 BFGS: 966 15:56:24 2.048883 0.126944 BFGS: 967 15:56:24 2.029606 0.126220 BFGS: 968 15:56:24 2.010438 0.125499 BFGS: 969 15:56:24 1.991380 0.124779 BFGS: 970 15:56:24 1.972432 0.124061 BFGS: 971 15:56:24 1.953593 0.123345 BFGS: 972 15:56:24 1.934862 0.122631 BFGS: 973 15:56:24 1.916240 0.121919 BFGS: 974 15:56:24 1.897726 0.121208 BFGS: 975 15:56:24 1.879319 0.120500 BFGS: 976 15:56:24 1.861020 0.119794 BFGS: 977 15:56:24 1.842829 0.119089 BFGS: 978 15:56:24 1.824744 0.118387 BFGS: 979 15:56:24 1.806766 0.117686 BFGS: 980 15:56:24 1.788895 0.116987 BFGS: 981 15:56:24 1.771129 0.116290 BFGS: 982 15:56:24 1.753470 0.115595 BFGS: 983 15:56:24 1.735915 0.114902 BFGS: 984 15:56:24 1.718466 0.114211 BFGS: 985 15:56:24 1.701122 0.113521 BFGS: 986 15:56:24 1.683883 0.112833 BFGS: 987 15:56:24 1.666748 0.112148 BFGS: 988 15:56:25 1.649716 0.111464 BFGS: 989 15:56:25 1.632789 0.110782 BFGS: 990 15:56:25 1.615965 0.110101 BFGS: 991 15:56:25 1.599245 0.109423 BFGS: 992 15:56:25 1.582627 0.108746 BFGS: 993 15:56:25 1.566112 0.108071 BFGS: 994 15:56:25 1.549699 0.107398 BFGS: 995 15:56:25 1.533389 0.106727 BFGS: 996 15:56:25 1.517180 0.106057 BFGS: 997 15:56:25 1.501073 0.105390 BFGS: 998 15:56:25 1.485067 0.104724 BFGS: 999 15:56:25 1.469162 0.104060 BFGS: 1000 15:56:25 1.453358 0.103397 BFGS: 1001 15:56:25 1.437654 0.102737 BFGS: 1002 15:56:25 1.422051 0.102078 BFGS: 1003 15:56:25 1.406547 0.101421 BFGS: 1004 15:56:25 1.391143 0.100765 BFGS: 1005 15:56:25 1.375838 0.100111 BFGS: 1006 15:56:25 1.360633 0.099460 BFGS: 1007 15:56:25 1.345526 0.098809 BFGS: 1008 15:56:25 1.330518 0.098161 BFGS: 1009 15:56:25 1.315608 0.097514 BFGS: 1010 15:56:25 1.300797 0.096869 BFGS: 1011 15:56:25 1.286083 0.096226 BFGS: 1012 15:56:25 1.271466 0.095584 BFGS: 1013 15:56:25 1.256947 0.094944 BFGS: 1014 15:56:25 1.242525 0.094306 BFGS: 1015 15:56:25 1.228199 0.093669 BFGS: 1016 15:56:25 1.213971 0.093034 BFGS: 1017 15:56:25 1.199838 0.092401 BFGS: 1018 15:56:25 1.185801 0.091769 BFGS: 1019 15:56:25 1.171860 0.091139 BFGS: 1020 15:56:25 1.158014 0.090511 BFGS: 1021 15:56:25 1.144264 0.089885 BFGS: 1022 15:56:25 1.130609 0.089260 BFGS: 1023 15:56:25 1.117048 0.088636 BFGS: 1024 15:56:25 1.103582 0.088015 BFGS: 1025 15:56:25 1.090209 0.087394 BFGS: 1026 15:56:25 1.076931 0.086776 BFGS: 1027 15:56:25 1.063747 0.086159 BFGS: 1028 15:56:25 1.050656 0.085544 BFGS: 1029 15:56:25 1.037658 0.084930 BFGS: 1030 15:56:25 1.024753 0.084318 BFGS: 1031 15:56:25 1.011941 0.083708 BFGS: 1032 15:56:25 0.999221 0.083099 BFGS: 1033 15:56:25 0.986593 0.082492 BFGS: 1034 15:56:25 0.974058 0.081886 BFGS: 1035 15:56:25 0.961614 0.081282 BFGS: 1036 15:56:25 0.949262 0.080680 BFGS: 1037 15:56:25 0.937001 0.080079 BFGS: 1038 15:56:25 0.924830 0.079479 BFGS: 1039 15:56:25 0.912751 0.078882 BFGS: 1040 15:56:25 0.900762 0.078285 BFGS: 1041 15:56:25 0.888864 0.077691 BFGS: 1042 15:56:25 0.877055 0.077098 BFGS: 1043 15:56:25 0.865336 0.076506 BFGS: 1044 15:56:25 0.853707 0.075916 BFGS: 1045 15:56:25 0.842167 0.075327 BFGS: 1046 15:56:25 0.830717 0.074740 BFGS: 1047 15:56:25 0.819355 0.074155 BFGS: 1048 15:56:25 0.808081 0.073571 BFGS: 1049 15:56:25 0.796897 0.072988 BFGS: 1050 15:56:25 0.785800 0.072408 BFGS: 1051 15:56:25 0.774791 0.071828 BFGS: 1052 15:56:25 0.763870 0.071250 BFGS: 1053 15:56:25 0.753036 0.070674 BFGS: 1054 15:56:25 0.742290 0.070099 BFGS: 1055 15:56:25 0.731631 0.069525 BFGS: 1056 15:56:25 0.721058 0.068953 BFGS: 1057 15:56:25 0.710572 0.068383 BFGS: 1058 15:56:25 0.700173 0.067814 BFGS: 1059 15:56:25 0.689859 0.067246 BFGS: 1060 15:56:25 0.679632 0.066680 BFGS: 1061 15:56:25 0.669490 0.066115 BFGS: 1062 15:56:25 0.659433 0.065552 BFGS: 1063 15:56:25 0.649462 0.064990 BFGS: 1064 15:56:25 0.639575 0.064430 BFGS: 1065 15:56:25 0.629774 0.063871 BFGS: 1066 15:56:25 0.620057 0.063314 BFGS: 1067 15:56:25 0.610424 0.062758 BFGS: 1068 15:56:25 0.600876 0.062203 BFGS: 1069 15:56:26 0.591411 0.061650 BFGS: 1070 15:56:26 0.582030 0.061098 BFGS: 1071 15:56:26 0.572732 0.060548 BFGS: 1072 15:56:26 0.563518 0.059999 BFGS: 1073 15:56:26 0.554387 0.059451 BFGS: 1074 15:56:26 0.545338 0.058905 BFGS: 1075 15:56:26 0.536373 0.058360 BFGS: 1076 15:56:26 0.527489 0.057817 BFGS: 1077 15:56:26 0.518688 0.057275 BFGS: 1078 15:56:26 0.509968 0.056782 BFGS: 1079 15:56:26 0.501331 0.056494 BFGS: 1080 15:56:26 0.492775 0.056208 BFGS: 1081 15:56:26 0.484300 0.055923 BFGS: 1082 15:56:26 0.475906 0.055640 BFGS: 1083 15:56:26 0.467594 0.055358 BFGS: 1084 15:56:26 0.459362 0.055078 BFGS: 1085 15:56:26 0.451210 0.054799 BFGS: 1086 15:56:26 0.443139 0.054521 BFGS: 1087 15:56:26 0.435148 0.054245 BFGS: 1088 15:56:26 0.427236 0.053970 BFGS: 1089 15:56:26 0.419404 0.053697 BFGS: 1090 15:56:26 0.411652 0.053425 BFGS: 1091 15:56:26 0.403979 0.053154 BFGS: 1092 15:56:26 0.396385 0.052885 BFGS: 1093 15:56:26 0.388870 0.052617 BFGS: 1094 15:56:26 0.381434 0.052350 BFGS: 1095 15:56:26 0.374076 0.052084 BFGS: 1096 15:56:26 0.366796 0.051820 BFGS: 1097 15:56:26 0.359594 0.051557 BFGS: 1098 15:56:26 0.352470 0.051296 BFGS: 1099 15:56:26 0.345424 0.051036 BFGS: 1100 15:56:26 0.338455 0.050776 BFGS: 1101 15:56:26 0.331564 0.050519 BFGS: 1102 15:56:26 0.324749 0.050262 BFGS: 1103 15:56:26 0.318011 0.050006 BFGS: 1104 15:56:26 0.311350 0.049752 BFGS: 1105 15:56:26 0.304766 0.049499 BFGS: 1106 15:56:26 0.298257 0.049247 BFGS: 1107 15:56:26 0.291825 0.048996 BFGS: 1108 15:56:26 0.285469 0.048746 BFGS: 1109 15:56:26 0.279188 0.048498 BFGS: 1110 15:56:26 0.272983 0.048250 BFGS: 1111 15:56:26 0.266853 0.048004 BFGS: 1112 15:56:26 0.260798 0.047759 BFGS: 1113 15:56:26 0.254818 0.047514 BFGS: 1114 15:56:26 0.248912 0.047271 BFGS: 1115 15:56:26 0.243082 0.047029 BFGS: 1116 15:56:26 0.237325 0.046787 BFGS: 1117 15:56:26 0.231643 0.046547 BFGS: 1118 15:56:26 0.226035 0.046308 BFGS: 1119 15:56:26 0.220500 0.046070 BFGS: 1120 15:56:26 0.215039 0.045832 BFGS: 1121 15:56:26 0.209651 0.045596 BFGS: 1122 15:56:26 0.204337 0.045360 BFGS: 1123 15:56:26 0.199096 0.045125 BFGS: 1124 15:56:26 0.193927 0.044892 BFGS: 1125 15:56:26 0.188831 0.044659 BFGS: 1126 15:56:26 0.183808 0.044427 BFGS: 1127 15:56:26 0.178857 0.044195 BFGS: 1128 15:56:26 0.173978 0.043965 BFGS: 1129 15:56:26 0.169171 0.043735 BFGS: 1130 15:56:26 0.164435 0.043506 BFGS: 1131 15:56:26 0.159771 0.043278 BFGS: 1132 15:56:26 0.155179 0.043050 BFGS: 1133 15:56:26 0.150657 0.042823 BFGS: 1134 15:56:26 0.146207 0.042597 BFGS: 1135 15:56:26 0.141828 0.042372 BFGS: 1136 15:56:26 0.137519 0.042147 BFGS: 1137 15:56:26 0.133281 0.041923 BFGS: 1138 15:56:26 0.129112 0.041699 BFGS: 1139 15:56:26 0.125014 0.041476 BFGS: 1140 15:56:26 0.120986 0.041253 BFGS: 1141 15:56:26 0.117028 0.041031 BFGS: 1142 15:56:26 0.113140 0.040810 BFGS: 1143 15:56:26 0.109320 0.040589 BFGS: 1144 15:56:26 0.105570 0.040368 BFGS: 1145 15:56:26 0.101889 0.040148 BFGS: 1146 15:56:26 0.098277 0.039928 BFGS: 1147 15:56:26 0.094734 0.039709 BFGS: 1148 15:56:26 0.091259 0.039490 BFGS: 1149 15:56:26 0.087852 0.039271 BFGS: 1150 15:56:26 0.084514 0.039052 BFGS: 1151 15:56:27 0.081244 0.038834 BFGS: 1152 15:56:27 0.078041 0.038616 BFGS: 1153 15:56:27 0.074906 0.038398 BFGS: 1154 15:56:27 0.071839 0.038180 BFGS: 1155 15:56:27 0.068839 0.037962 BFGS: 1156 15:56:27 0.065906 0.037744 BFGS: 1157 15:56:27 0.063040 0.037527 BFGS: 1158 15:56:27 0.060241 0.037309 BFGS: 1159 15:56:27 0.057509 0.037091 BFGS: 1160 15:56:27 0.054843 0.036873 BFGS: 1161 15:56:27 0.052244 0.036655 BFGS: 1162 15:56:27 0.049710 0.036437 BFGS: 1163 15:56:27 0.047243 0.036219 BFGS: 1164 15:56:27 0.044841 0.036000 BFGS: 1165 15:56:27 0.042505 0.035781 BFGS: 1166 15:56:27 0.040235 0.035561 BFGS: 1167 15:56:27 0.038030 0.035341 BFGS: 1168 15:56:27 0.035890 0.035120 BFGS: 1169 15:56:27 0.033815 0.034899 BFGS: 1170 15:56:27 0.031804 0.034677 BFGS: 1171 15:56:27 0.029859 0.034454 BFGS: 1172 15:56:27 0.027978 0.034230 BFGS: 1173 15:56:27 0.026161 0.034006 BFGS: 1174 15:56:27 0.024408 0.033780 BFGS: 1175 15:56:27 0.022720 0.033553 BFGS: 1176 15:56:27 0.021095 0.033325 BFGS: 1177 15:56:27 0.019534 0.033096 BFGS: 1178 15:56:27 0.018036 0.032865 BFGS: 1179 15:56:27 0.016602 0.032632 BFGS: 1180 15:56:27 0.015231 0.032398 BFGS: 1181 15:56:27 0.013923 0.032161 BFGS: 1182 15:56:27 0.012677 0.031923 BFGS: 1183 15:56:27 0.011495 0.031682 BFGS: 1184 15:56:27 0.010375 0.031439 BFGS: 1185 15:56:27 0.009317 0.031193 BFGS: 1186 15:56:27 0.008322 0.030944 BFGS: 1187 15:56:27 0.007388 0.030691 BFGS: 1188 15:56:27 0.006517 0.030435 BFGS: 1189 15:56:27 0.005707 0.030175 BFGS: 1190 15:56:27 0.004958 0.029910 BFGS: 1191 15:56:27 0.004271 0.029640 BFGS: 1192 15:56:27 0.003645 0.029365 BFGS: 1193 15:56:27 0.003080 0.029083 BFGS: 1194 15:56:27 0.002576 0.028794 BFGS: 1195 15:56:27 0.002132 0.028496 BFGS: 1196 15:56:27 0.001748 0.028188 BFGS: 1197 15:56:27 0.001421 0.026443 BFGS: 1198 15:56:27 0.001129 0.023564 BFGS: 1199 15:56:27 0.000871 0.020689 BFGS: 1200 15:56:27 0.000647 0.017819 BFGS: 1201 15:56:27 0.000456 0.014953 BFGS: 1202 15:56:27 0.000298 0.012092 BFGS: 1203 15:56:27 0.000174 0.009236 BFGS: 1204 15:56:27 0.000083 0.006383 BFGS: 1205 15:56:27 0.000026 0.003536 BFGS: 1206 15:56:27 0.000001 0.000693 BFGS: 1207 15:56:27 0.000000 0.000001 BFGS: 1208 15:56:27 0.000000 0.000000 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