element(s): ['C'] AFLOW prototype label: A_oC16_65_pq Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.18519352 0.16660457 0. ] [0.18446938 0.41082374 0.5 ]] spacegroup = 65 cell = [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]] ========================================= Step Time Energy fmax BFGS: 0 16:32:22 2068.219974 213.0999 BFGS: 1 16:32:22 2037.516632 207.6892 BFGS: 2 16:32:22 2009.833446 204.8105 BFGS: 3 16:32:22 1983.394306 201.6129 BFGS: 4 16:32:22 1954.494221 199.1162 BFGS: 5 16:32:22 1928.814992 190.4579 BFGS: 6 16:32:22 1901.300008 187.1919 BFGS: 7 16:32:23 1875.375001 183.8830 BFGS: 8 16:32:23 1851.418437 180.1525 BFGS: 9 16:32:23 1825.871464 176.9083 BFGS: 10 16:32:23 1800.489130 173.5502 BFGS: 11 16:32:23 1775.665392 170.2999 BFGS: 12 16:32:23 1751.372545 167.1297 BFGS: 13 16:32:23 1727.619826 164.0379 BFGS: 14 16:32:23 1704.401874 161.0234 BFGS: 15 16:32:23 1681.712282 158.0847 BFGS: 16 16:32:23 1659.544586 155.2207 BFGS: 17 16:32:23 1637.898070 152.4618 BFGS: 18 16:32:23 1616.746805 149.7946 BFGS: 19 16:32:23 1596.072542 147.1966 BFGS: 20 16:32:23 1575.876671 144.6652 BFGS: 21 16:32:23 1556.168305 142.2009 BFGS: 22 16:32:23 1536.936941 139.8027 BFGS: 23 16:32:23 1518.165543 137.4682 BFGS: 24 16:32:23 1499.884426 135.2017 BFGS: 25 16:32:23 1482.108068 133.0036 BFGS: 26 16:32:23 1464.825863 130.8726 BFGS: 27 16:32:23 1448.025043 128.8096 BFGS: 28 16:32:23 1431.687996 126.8139 BFGS: 29 16:32:23 1415.795995 124.8826 BFGS: 30 16:32:23 1400.341735 123.0159 BFGS: 31 16:32:23 1385.319764 121.2061 BFGS: 32 16:32:23 1370.719037 119.4514 BFGS: 33 16:32:23 1356.521788 117.7475 BFGS: 34 16:32:23 1342.717028 116.0934 BFGS: 35 16:32:23 1329.293188 114.4891 BFGS: 36 16:32:23 1316.235428 112.9455 BFGS: 37 16:32:23 1303.510014 111.4465 BFGS: 38 16:32:23 1291.095615 109.9980 BFGS: 39 16:32:23 1278.970312 108.5878 BFGS: 40 16:32:23 1267.122411 107.2130 BFGS: 41 16:32:23 1255.543532 105.8769 BFGS: 42 16:32:23 1244.251865 104.5884 BFGS: 43 16:32:23 1233.254047 103.3369 BFGS: 44 16:32:23 1222.544362 102.1239 BFGS: 45 16:32:23 1212.131341 100.9468 BFGS: 46 16:32:23 1202.009745 99.8050 BFGS: 47 16:32:23 1192.169510 98.6973 BFGS: 48 16:32:23 1182.599611 97.6225 BFGS: 49 16:32:23 1173.288695 96.5792 BFGS: 50 16:32:23 1164.226999 95.5658 BFGS: 51 16:32:23 1155.404933 94.5812 BFGS: 52 16:32:23 1146.813085 93.6241 BFGS: 53 16:32:23 1138.442231 92.6937 BFGS: 54 16:32:23 1130.282641 91.7886 BFGS: 55 16:32:23 1122.325017 90.9089 BFGS: 56 16:32:23 1114.557983 90.0520 BFGS: 57 16:32:23 1106.973330 89.2169 BFGS: 58 16:32:23 1099.563980 88.4034 BFGS: 59 16:32:23 1092.324876 87.6119 BFGS: 60 16:32:23 1085.252700 86.8413 BFGS: 61 16:32:23 1078.340446 86.0896 BFGS: 62 16:32:23 1071.581182 85.3571 BFGS: 63 16:32:23 1064.967573 84.6421 BFGS: 64 16:32:23 1058.493028 83.9435 BFGS: 65 16:32:23 1052.151329 83.2604 BFGS: 66 16:32:23 1045.936480 82.5921 BFGS: 67 16:32:23 1039.842652 81.9589 BFGS: 68 16:32:23 1033.867604 81.3867 BFGS: 69 16:32:23 1028.008863 80.8258 BFGS: 70 16:32:23 1022.260717 80.2765 BFGS: 71 16:32:24 1016.619383 79.7383 BFGS: 72 16:32:24 1011.080927 79.2094 BFGS: 73 16:32:24 1005.640291 78.6893 BFGS: 74 16:32:24 1000.292581 78.1772 BFGS: 75 16:32:24 995.033384 77.6725 BFGS: 76 16:32:24 989.858502 77.1748 BFGS: 77 16:32:24 984.763928 76.6835 BFGS: 78 16:32:24 979.745828 76.1983 BFGS: 79 16:32:24 974.800534 75.7187 BFGS: 80 16:32:24 969.924523 75.2454 BFGS: 81 16:32:24 965.114784 74.7777 BFGS: 82 16:32:24 960.368469 74.3146 BFGS: 83 16:32:24 955.681637 73.8557 BFGS: 84 16:32:24 951.050909 73.4006 BFGS: 85 16:32:24 946.473485 72.9497 BFGS: 86 16:32:24 941.946301 72.5048 BFGS: 87 16:32:24 937.466876 72.0674 BFGS: 88 16:32:24 933.033904 71.6327 BFGS: 89 16:32:24 928.645068 71.2006 BFGS: 90 16:32:24 924.298098 70.7710 BFGS: 91 16:32:24 919.990798 70.3437 BFGS: 92 16:32:24 915.721058 69.9183 BFGS: 93 16:32:24 911.486852 69.4949 BFGS: 94 16:32:24 907.286123 69.0731 BFGS: 95 16:32:24 903.116983 68.6528 BFGS: 96 16:32:24 898.977624 68.2350 BFGS: 97 16:32:24 894.866665 67.8205 BFGS: 98 16:32:24 890.783185 67.4070 BFGS: 99 16:32:24 886.725794 66.9955 BFGS: 100 16:32:24 882.693722 66.5875 BFGS: 101 16:32:24 878.687532 66.1811 BFGS: 102 16:32:24 874.705269 65.7757 BFGS: 103 16:32:24 870.745339 65.3710 BFGS: 104 16:32:24 866.806294 64.9669 BFGS: 105 16:32:24 862.886763 64.5633 BFGS: 106 16:32:24 858.985431 64.1601 BFGS: 107 16:32:24 855.101023 63.7574 BFGS: 108 16:32:24 851.232319 63.3554 BFGS: 109 16:32:24 847.378203 62.9538 BFGS: 110 16:32:24 843.537351 62.5535 BFGS: 111 16:32:24 839.709306 62.1642 BFGS: 112 16:32:24 835.900457 61.7799 BFGS: 113 16:32:24 832.108901 61.3982 BFGS: 114 16:32:24 828.333472 61.0172 BFGS: 115 16:32:24 824.572846 60.6366 BFGS: 116 16:32:24 820.825924 60.2562 BFGS: 117 16:32:24 817.091692 59.8759 BFGS: 118 16:32:24 813.369181 59.4957 BFGS: 119 16:32:24 809.657455 59.1154 BFGS: 120 16:32:24 805.955606 58.7349 BFGS: 121 16:32:24 802.262752 58.3543 BFGS: 122 16:32:24 798.578038 57.9735 BFGS: 123 16:32:24 794.900637 57.5924 BFGS: 124 16:32:24 791.229408 57.2111 BFGS: 125 16:32:24 787.562886 56.8295 BFGS: 126 16:32:24 783.900049 56.4472 BFGS: 127 16:32:24 780.240239 56.0643 BFGS: 128 16:32:24 776.582704 55.6822 BFGS: 129 16:32:24 772.927173 55.3023 BFGS: 130 16:32:24 769.273620 54.9224 BFGS: 131 16:32:24 765.621137 54.5420 BFGS: 132 16:32:24 761.968880 54.1608 BFGS: 133 16:32:24 758.316159 53.7800 BFGS: 134 16:32:24 754.663270 53.3994 BFGS: 135 16:32:24 751.010246 53.0184 BFGS: 136 16:32:24 747.356144 52.6422 BFGS: 137 16:32:24 743.705518 52.2684 BFGS: 138 16:32:24 740.058136 51.8947 BFGS: 139 16:32:24 736.412658 51.5208 BFGS: 140 16:32:24 732.768339 51.1465 BFGS: 141 16:32:24 729.124638 50.7717 BFGS: 142 16:32:24 725.481097 50.3964 BFGS: 143 16:32:24 721.837311 50.0207 BFGS: 144 16:32:24 718.192911 49.6446 BFGS: 145 16:32:24 714.547566 49.2681 BFGS: 146 16:32:24 710.900982 48.8911 BFGS: 147 16:32:24 707.252898 48.5139 BFGS: 148 16:32:24 703.603047 48.1379 BFGS: 149 16:32:24 699.950562 47.7620 BFGS: 150 16:32:24 696.295436 47.3891 BFGS: 151 16:32:24 692.637374 47.0422 BFGS: 152 16:32:24 688.975175 46.6965 BFGS: 153 16:32:24 685.310986 46.3507 BFGS: 154 16:32:24 681.644403 46.0051 BFGS: 155 16:32:24 677.975293 45.6595 BFGS: 156 16:32:24 674.303636 45.3141 BFGS: 157 16:32:24 670.629477 44.9688 BFGS: 158 16:32:24 666.952901 44.6239 BFGS: 159 16:32:24 663.274034 44.2793 BFGS: 160 16:32:24 659.593037 43.9350 BFGS: 161 16:32:24 655.910105 43.5911 BFGS: 162 16:32:24 652.225467 43.2477 BFGS: 163 16:32:25 648.539384 42.9048 BFGS: 164 16:32:25 644.852150 42.5625 BFGS: 165 16:32:25 641.164088 42.2208 BFGS: 166 16:32:25 637.475550 41.8798 BFGS: 167 16:32:25 633.786919 41.5396 BFGS: 168 16:32:25 630.098355 41.2002 BFGS: 169 16:32:25 626.410352 40.8618 BFGS: 170 16:32:25 622.723413 40.5244 BFGS: 171 16:32:25 619.037950 40.1894 BFGS: 172 16:32:25 615.353859 39.8588 BFGS: 173 16:32:25 611.671717 39.6050 BFGS: 174 16:32:25 607.991505 39.3503 BFGS: 175 16:32:25 604.313820 39.0948 BFGS: 176 16:32:25 600.641835 38.8392 BFGS: 177 16:32:25 596.977608 38.5844 BFGS: 178 16:32:25 593.321099 38.3290 BFGS: 179 16:32:25 589.672628 38.0731 BFGS: 180 16:32:25 586.032632 37.8166 BFGS: 181 16:32:25 582.401216 37.5598 BFGS: 182 16:32:25 578.778204 37.3024 BFGS: 183 16:32:25 575.164206 37.0442 BFGS: 184 16:32:25 571.559323 36.7854 BFGS: 185 16:32:25 567.963608 36.5269 BFGS: 186 16:32:25 564.380429 36.2680 BFGS: 187 16:32:25 560.810138 36.0087 BFGS: 188 16:32:25 557.253107 35.7506 BFGS: 189 16:32:25 553.709350 35.4931 BFGS: 190 16:32:25 550.178800 35.2373 BFGS: 191 16:32:25 546.660697 34.9831 BFGS: 192 16:32:25 543.154381 34.7310 BFGS: 193 16:32:25 539.661747 34.4799 BFGS: 194 16:32:25 536.184562 34.2294 BFGS: 195 16:32:25 532.722845 33.9806 BFGS: 196 16:32:25 529.276259 33.7316 BFGS: 197 16:32:25 525.845194 33.4832 BFGS: 198 16:32:25 522.429001 33.2349 BFGS: 199 16:32:25 519.028143 32.9871 BFGS: 200 16:32:25 515.644229 32.7395 BFGS: 201 16:32:25 512.277361 32.4923 BFGS: 202 16:32:25 508.928181 32.2456 BFGS: 203 16:32:25 505.597416 31.9995 BFGS: 204 16:32:25 502.284794 31.7539 BFGS: 205 16:32:25 498.990157 31.5088 BFGS: 206 16:32:25 495.713706 31.2641 BFGS: 207 16:32:25 492.455645 31.0199 BFGS: 208 16:32:25 489.216173 30.7762 BFGS: 209 16:32:25 485.995483 30.5330 BFGS: 210 16:32:25 482.793716 30.2928 BFGS: 211 16:32:25 479.610809 30.0598 BFGS: 212 16:32:25 476.446626 29.8276 BFGS: 213 16:32:25 473.300718 29.5959 BFGS: 214 16:32:25 470.172911 29.3650 BFGS: 215 16:32:25 467.063171 29.1346 BFGS: 216 16:32:25 463.971539 28.9050 BFGS: 217 16:32:25 460.898089 28.6761 BFGS: 218 16:32:25 457.842914 28.4479 BFGS: 219 16:32:25 454.806112 28.2205 BFGS: 220 16:32:25 451.787749 27.9938 BFGS: 221 16:32:25 448.787262 27.7679 BFGS: 222 16:32:25 445.804807 27.5430 BFGS: 223 16:32:25 442.840378 27.3193 BFGS: 224 16:32:25 439.893808 27.0964 BFGS: 225 16:32:25 436.965299 26.8760 BFGS: 226 16:32:25 434.054991 26.6577 BFGS: 227 16:32:25 431.163506 26.4403 BFGS: 228 16:32:25 428.290787 26.2239 BFGS: 229 16:32:25 425.436819 26.0084 BFGS: 230 16:32:25 422.601591 25.7951 BFGS: 231 16:32:25 419.784145 25.5934 BFGS: 232 16:32:25 416.982056 25.3969 BFGS: 233 16:32:25 414.194949 25.2009 BFGS: 234 16:32:25 411.423085 25.0055 BFGS: 235 16:32:25 408.668284 24.8109 BFGS: 236 16:32:25 405.931179 24.6172 BFGS: 237 16:32:25 403.211736 24.4242 BFGS: 238 16:32:25 400.509946 24.2322 BFGS: 239 16:32:25 397.825810 24.0410 BFGS: 240 16:32:25 395.159336 23.8507 BFGS: 241 16:32:25 392.510533 23.6613 BFGS: 242 16:32:25 389.879410 23.4727 BFGS: 243 16:32:25 387.265973 23.2851 BFGS: 244 16:32:25 384.670226 23.0984 BFGS: 245 16:32:25 382.092169 22.9127 BFGS: 246 16:32:25 379.531800 22.7279 BFGS: 247 16:32:25 376.989095 22.5442 BFGS: 248 16:32:25 374.463780 22.3615 BFGS: 249 16:32:25 371.955887 22.1797 BFGS: 250 16:32:25 369.465517 21.9989 BFGS: 251 16:32:25 366.992728 21.8191 BFGS: 252 16:32:25 364.537546 21.6402 BFGS: 253 16:32:25 362.099977 21.4623 BFGS: 254 16:32:25 359.680015 21.2854 BFGS: 255 16:32:25 357.277641 21.1094 BFGS: 256 16:32:25 354.892833 20.9345 BFGS: 257 16:32:25 352.525561 20.7605 BFGS: 258 16:32:25 350.175793 20.5875 BFGS: 259 16:32:25 347.843421 20.4162 BFGS: 260 16:32:25 345.528153 20.2463 BFGS: 261 16:32:25 343.230270 20.0778 BFGS: 262 16:32:25 340.950202 19.9104 BFGS: 263 16:32:25 338.687042 19.7440 BFGS: 264 16:32:25 336.440430 19.5786 BFGS: 265 16:32:25 334.210228 19.4142 BFGS: 266 16:32:25 331.996325 19.2508 BFGS: 267 16:32:25 329.798634 19.0884 BFGS: 268 16:32:25 327.617080 18.9270 BFGS: 269 16:32:25 325.451531 18.7673 BFGS: 270 16:32:25 323.301664 18.6087 BFGS: 271 16:32:25 321.167416 18.4510 BFGS: 272 16:32:25 319.048737 18.2942 BFGS: 273 16:32:25 316.945576 18.1384 BFGS: 274 16:32:25 314.857883 17.9836 BFGS: 275 16:32:25 312.785605 17.8296 BFGS: 276 16:32:25 310.728691 17.6766 BFGS: 277 16:32:25 308.687089 17.5246 BFGS: 278 16:32:25 306.660747 17.3734 BFGS: 279 16:32:25 304.649614 17.2232 BFGS: 280 16:32:25 302.653636 17.0739 BFGS: 281 16:32:25 300.672764 16.9255 BFGS: 282 16:32:25 298.706943 16.7779 BFGS: 283 16:32:25 296.756093 16.6318 BFGS: 284 16:32:25 294.819839 16.4873 BFGS: 285 16:32:25 292.897962 16.3438 BFGS: 286 16:32:25 290.990567 16.2011 BFGS: 287 16:32:25 289.097752 16.0594 BFGS: 288 16:32:25 287.219570 15.9185 BFGS: 289 16:32:25 285.356048 15.7785 BFGS: 290 16:32:25 283.507186 15.6394 BFGS: 291 16:32:25 281.672969 15.5011 BFGS: 292 16:32:25 279.853311 15.3666 BFGS: 293 16:32:25 278.047741 15.2342 BFGS: 294 16:32:25 276.256070 15.1027 BFGS: 295 16:32:25 274.478243 14.9719 BFGS: 296 16:32:25 272.714178 14.8439 BFGS: 297 16:32:25 270.963274 14.7253 BFGS: 298 16:32:25 269.224653 14.6113 BFGS: 299 16:32:25 267.497675 14.5025 BFGS: 300 16:32:25 265.781538 14.3941 BFGS: 301 16:32:25 264.076337 14.2862 BFGS: 302 16:32:25 262.382142 14.1788 BFGS: 303 16:32:25 260.699001 14.0718 BFGS: 304 16:32:25 259.026949 13.9654 BFGS: 305 16:32:25 257.366005 13.8594 BFGS: 306 16:32:25 255.716172 13.7542 BFGS: 307 16:32:25 254.077915 13.6495 BFGS: 308 16:32:25 252.451169 13.5454 BFGS: 309 16:32:25 250.835875 13.4418 BFGS: 310 16:32:25 249.231978 13.3387 BFGS: 311 16:32:25 247.639431 13.2361 BFGS: 312 16:32:25 246.058186 13.1340 BFGS: 313 16:32:25 244.488200 13.0325 BFGS: 314 16:32:25 242.929430 12.9314 BFGS: 315 16:32:25 241.381835 12.8309 BFGS: 316 16:32:25 239.845344 12.7310 BFGS: 317 16:32:25 238.319793 12.6315 BFGS: 318 16:32:25 236.805111 12.5326 BFGS: 319 16:32:26 235.301235 12.4343 BFGS: 320 16:32:26 233.808110 12.3364 BFGS: 321 16:32:26 232.325685 12.2391 BFGS: 322 16:32:26 230.853913 12.1424 BFGS: 323 16:32:26 229.392691 12.0498 BFGS: 324 16:32:26 227.941387 11.9610 BFGS: 325 16:32:26 226.499671 11.8726 BFGS: 326 16:32:26 225.067497 11.7847 BFGS: 327 16:32:26 223.644823 11.6973 BFGS: 328 16:32:26 222.231582 11.6107 BFGS: 329 16:32:26 220.828144 11.5246 BFGS: 330 16:32:26 219.434446 11.4390 BFGS: 331 16:32:26 218.050710 11.3538 BFGS: 332 16:32:26 216.677068 11.2692 BFGS: 333 16:32:26 215.313381 11.1850 BFGS: 334 16:32:26 213.959512 11.1014 BFGS: 335 16:32:26 212.615241 11.0182 BFGS: 336 16:32:26 211.280435 10.9355 BFGS: 337 16:32:26 209.955014 10.8533 BFGS: 338 16:32:26 208.638910 10.7716 BFGS: 339 16:32:26 207.332050 10.6903 BFGS: 340 16:32:26 206.034163 10.6100 BFGS: 341 16:32:26 204.744569 10.5304 BFGS: 342 16:32:26 203.463038 10.4514 BFGS: 343 16:32:26 202.189639 10.3727 BFGS: 344 16:32:26 200.924421 10.2946 BFGS: 345 16:32:26 199.667371 10.2170 BFGS: 346 16:32:26 198.418469 10.1398 BFGS: 347 16:32:26 197.177756 10.0630 BFGS: 348 16:32:26 195.945259 9.9867 BFGS: 349 16:32:26 194.720993 9.9109 BFGS: 350 16:32:26 193.504967 9.8355 BFGS: 351 16:32:26 192.297182 9.7605 BFGS: 352 16:32:26 191.097631 9.6859 BFGS: 353 16:32:26 189.906306 9.6118 BFGS: 354 16:32:26 188.723191 9.5381 BFGS: 355 16:32:26 187.548271 9.4648 BFGS: 356 16:32:26 186.381438 9.3933 BFGS: 357 16:32:26 185.223450 9.3233 BFGS: 358 16:32:26 184.073949 9.2549 BFGS: 359 16:32:26 182.932782 9.1869 BFGS: 360 16:32:26 181.799815 9.1195 BFGS: 361 16:32:26 180.675030 9.0525 BFGS: 362 16:32:26 179.558565 8.9860 BFGS: 363 16:32:26 178.450296 8.9199 BFGS: 364 16:32:26 177.350108 8.8544 BFGS: 365 16:32:26 176.257901 8.7892 BFGS: 366 16:32:26 175.173583 8.7245 BFGS: 367 16:32:26 174.097069 8.6603 BFGS: 368 16:32:26 173.028284 8.5964 BFGS: 369 16:32:26 171.967155 8.5330 BFGS: 370 16:32:26 170.913583 8.4718 BFGS: 371 16:32:26 169.867391 8.4137 BFGS: 372 16:32:26 168.828505 8.3568 BFGS: 373 16:32:26 167.796865 8.3003 BFGS: 374 16:32:26 166.772417 8.2441 BFGS: 375 16:32:26 165.755110 8.1882 BFGS: 376 16:32:26 164.744894 8.1327 BFGS: 377 16:32:26 163.741722 8.0775 BFGS: 378 16:32:26 162.745502 8.0226 BFGS: 379 16:32:26 161.756061 7.9681 BFGS: 380 16:32:26 160.773352 7.9139 BFGS: 381 16:32:26 159.797336 7.8600 BFGS: 382 16:32:26 158.827978 7.8064 BFGS: 383 16:32:26 157.865242 7.7531 BFGS: 384 16:32:26 156.909092 7.7002 BFGS: 385 16:32:26 155.959494 7.6476 BFGS: 386 16:32:26 155.016415 7.5953 BFGS: 387 16:32:26 154.079821 7.5433 BFGS: 388 16:32:26 153.149680 7.4916 BFGS: 389 16:32:26 152.225960 7.4402 BFGS: 390 16:32:26 151.308627 7.3891 BFGS: 391 16:32:26 150.397639 7.3385 BFGS: 392 16:32:26 149.492609 7.2903 BFGS: 393 16:32:26 148.592913 7.2433 BFGS: 394 16:32:26 147.698486 7.1965 BFGS: 395 16:32:26 146.809350 7.1499 BFGS: 396 16:32:26 145.925523 7.1037 BFGS: 397 16:32:26 145.047017 7.0578 BFGS: 398 16:32:26 144.173842 7.0121 BFGS: 399 16:32:26 143.306002 6.9667 BFGS: 400 16:32:26 142.443501 6.9216 BFGS: 401 16:32:26 141.586337 6.8767 BFGS: 402 16:32:26 140.734575 6.8321 BFGS: 403 16:32:26 139.889088 6.7878 BFGS: 404 16:32:26 139.049817 6.7439 BFGS: 405 16:32:26 138.216705 6.7002 BFGS: 406 16:32:26 137.389696 6.6568 BFGS: 407 16:32:26 136.568734 6.6137 BFGS: 408 16:32:26 135.753768 6.5709 BFGS: 409 16:32:26 134.944745 6.5284 BFGS: 410 16:32:26 134.141615 6.4861 BFGS: 411 16:32:26 133.344329 6.4442 BFGS: 412 16:32:26 132.552839 6.4025 BFGS: 413 16:32:26 131.767097 6.3610 BFGS: 414 16:32:26 130.987058 6.3199 BFGS: 415 16:32:26 130.212677 6.2789 BFGS: 416 16:32:26 129.443908 6.2383 BFGS: 417 16:32:26 128.680708 6.1979 BFGS: 418 16:32:26 127.923035 6.1578 BFGS: 419 16:32:26 127.170846 6.1179 BFGS: 420 16:32:26 126.424063 6.0789 BFGS: 421 16:32:26 125.682534 6.0403 BFGS: 422 16:32:26 124.946209 6.0020 BFGS: 423 16:32:26 124.215051 5.9639 BFGS: 424 16:32:26 123.489023 5.9260 BFGS: 425 16:32:26 122.768090 5.8884 BFGS: 426 16:32:26 122.052216 5.8509 BFGS: 427 16:32:26 121.341369 5.8137 BFGS: 428 16:32:26 120.635513 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16:32:26 88.442361 4.1567 BFGS: 484 16:32:27 87.954859 4.1345 BFGS: 485 16:32:27 87.470224 4.1125 BFGS: 486 16:32:27 86.988443 4.0905 BFGS: 487 16:32:27 86.509503 4.0686 BFGS: 488 16:32:27 86.033390 4.0469 BFGS: 489 16:32:27 85.560092 4.0252 BFGS: 490 16:32:27 85.089593 4.0037 BFGS: 491 16:32:27 84.621881 3.9822 BFGS: 492 16:32:27 84.156942 3.9609 BFGS: 493 16:32:27 83.694762 3.9396 BFGS: 494 16:32:27 83.235328 3.9185 BFGS: 495 16:32:27 82.778626 3.8974 BFGS: 496 16:32:27 82.324642 3.8765 BFGS: 497 16:32:27 81.873363 3.8556 BFGS: 498 16:32:27 81.424775 3.8349 BFGS: 499 16:32:27 80.978865 3.8143 BFGS: 500 16:32:27 80.535618 3.7937 BFGS: 501 16:32:27 80.095023 3.7733 BFGS: 502 16:32:27 79.657065 3.7529 BFGS: 503 16:32:27 79.221731 3.7327 BFGS: 504 16:32:27 78.789008 3.7125 BFGS: 505 16:32:27 78.358882 3.6925 BFGS: 506 16:32:27 77.931340 3.6725 BFGS: 507 16:32:27 77.506370 3.6527 BFGS: 508 16:32:27 77.083958 3.6329 BFGS: 509 16:32:27 76.664039 3.6135 BFGS: 510 16:32:27 76.246528 3.5943 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56.331942 2.6566 BFGS: 567 16:32:27 56.031230 2.6424 BFGS: 568 16:32:27 55.732232 2.6282 BFGS: 569 16:32:27 55.434942 2.6140 BFGS: 570 16:32:27 55.139352 2.6000 BFGS: 571 16:32:27 54.845453 2.5860 BFGS: 572 16:32:27 54.553237 2.5720 BFGS: 573 16:32:27 54.262696 2.5581 BFGS: 574 16:32:27 53.973823 2.5443 BFGS: 575 16:32:27 53.686609 2.5306 BFGS: 576 16:32:27 53.401048 2.5168 BFGS: 577 16:32:27 53.117131 2.5032 BFGS: 578 16:32:27 52.834851 2.4896 BFGS: 579 16:32:27 52.554200 2.4761 BFGS: 580 16:32:27 52.275170 2.4626 BFGS: 581 16:32:27 51.997755 2.4492 BFGS: 582 16:32:27 51.721947 2.4359 BFGS: 583 16:32:27 51.447738 2.4226 BFGS: 584 16:32:27 51.175121 2.4093 BFGS: 585 16:32:27 50.904090 2.3962 BFGS: 586 16:32:27 50.634636 2.3830 BFGS: 587 16:32:27 50.366754 2.3700 BFGS: 588 16:32:27 50.100434 2.3570 BFGS: 589 16:32:27 49.835672 2.3440 BFGS: 590 16:32:27 49.572459 2.3311 BFGS: 591 16:32:27 49.310789 2.3183 BFGS: 592 16:32:27 49.050654 2.3055 BFGS: 593 16:32:27 48.792049 2.2927 BFGS: 594 16:32:27 48.534966 2.2801 BFGS: 595 16:32:27 48.279398 2.2674 BFGS: 596 16:32:27 48.025339 2.2549 BFGS: 597 16:32:27 47.772781 2.2423 BFGS: 598 16:32:27 47.521720 2.2299 BFGS: 599 16:32:27 47.272147 2.2175 BFGS: 600 16:32:27 47.024056 2.2051 BFGS: 601 16:32:27 46.777441 2.1928 BFGS: 602 16:32:27 46.532295 2.1805 BFGS: 603 16:32:27 46.288612 2.1683 BFGS: 604 16:32:27 46.046385 2.1561 BFGS: 605 16:32:27 45.805579 2.1440 BFGS: 606 16:32:27 45.566167 2.1320 BFGS: 607 16:32:27 45.328145 2.1199 BFGS: 608 16:32:27 45.091507 2.1080 BFGS: 609 16:32:27 44.856225 2.0963 BFGS: 610 16:32:27 44.622232 2.0847 BFGS: 611 16:32:27 44.389519 2.0731 BFGS: 612 16:32:27 44.158083 2.0616 BFGS: 613 16:32:27 43.927918 2.0501 BFGS: 614 16:32:27 43.699022 2.0387 BFGS: 615 16:32:27 43.471389 2.0272 BFGS: 616 16:32:27 43.245015 2.0159 BFGS: 617 16:32:27 43.019896 2.0045 BFGS: 618 16:32:27 42.796029 1.9933 BFGS: 619 16:32:27 42.573407 1.9820 BFGS: 620 16:32:27 42.352029 1.9708 BFGS: 621 16:32:27 42.131888 1.9596 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1.6623 BFGS: 650 16:32:27 36.266774 1.6522 BFGS: 651 16:32:27 36.081639 1.6421 BFGS: 652 16:32:27 35.897581 1.6321 BFGS: 653 16:32:27 35.714597 1.6221 BFGS: 654 16:32:27 35.532683 1.6122 BFGS: 655 16:32:27 35.351836 1.6023 BFGS: 656 16:32:27 35.172053 1.5924 BFGS: 657 16:32:27 34.993330 1.5825 BFGS: 658 16:32:27 34.815664 1.5727 BFGS: 659 16:32:27 34.639051 1.5629 BFGS: 660 16:32:27 34.463488 1.5532 BFGS: 661 16:32:27 34.288972 1.5435 BFGS: 662 16:32:27 34.115499 1.5338 BFGS: 663 16:32:27 33.943066 1.5241 BFGS: 664 16:32:27 33.771669 1.5145 BFGS: 665 16:32:27 33.601305 1.5049 BFGS: 666 16:32:27 33.431971 1.4954 BFGS: 667 16:32:27 33.263663 1.4859 BFGS: 668 16:32:27 33.096378 1.4764 BFGS: 669 16:32:27 32.930113 1.4669 BFGS: 670 16:32:27 32.764863 1.4575 BFGS: 671 16:32:27 32.600626 1.4481 BFGS: 672 16:32:27 32.437399 1.4387 BFGS: 673 16:32:27 32.275177 1.4294 BFGS: 674 16:32:28 32.113958 1.4201 BFGS: 675 16:32:28 31.953738 1.4109 BFGS: 676 16:32:28 31.794515 1.4016 BFGS: 677 16:32:28 31.636283 1.3924 BFGS: 678 16:32:28 31.479041 1.3833 BFGS: 679 16:32:28 31.322785 1.3741 BFGS: 680 16:32:28 31.167511 1.3650 BFGS: 681 16:32:28 31.013217 1.3560 BFGS: 682 16:32:28 30.859899 1.3469 BFGS: 683 16:32:28 30.707553 1.3379 BFGS: 684 16:32:28 30.556177 1.3290 BFGS: 685 16:32:28 30.405767 1.3200 BFGS: 686 16:32:28 30.256308 1.3116 BFGS: 687 16:32:28 30.107793 1.3032 BFGS: 688 16:32:28 29.960220 1.2949 BFGS: 689 16:32:28 29.813583 1.2865 BFGS: 690 16:32:28 29.667880 1.2782 BFGS: 691 16:32:28 29.523105 1.2700 BFGS: 692 16:32:28 29.379256 1.2617 BFGS: 693 16:32:28 29.236312 1.2536 BFGS: 694 16:32:28 29.094256 1.2455 BFGS: 695 16:32:28 28.953060 1.2377 BFGS: 696 16:32:28 28.812735 1.2299 BFGS: 697 16:32:28 28.673273 1.2221 BFGS: 698 16:32:28 28.534668 1.2144 BFGS: 699 16:32:28 28.396914 1.2067 BFGS: 700 16:32:28 28.260005 1.1991 BFGS: 701 16:32:28 28.123934 1.1914 BFGS: 702 16:32:28 27.988697 1.1839 BFGS: 703 16:32:28 27.854276 1.1765 BFGS: 704 16:32:28 27.720585 1.1694 BFGS: 705 16:32:28 27.587598 1.1623 BFGS: 706 16:32:28 27.455312 1.1552 BFGS: 707 16:32:28 27.323723 1.1482 BFGS: 708 16:32:28 27.192830 1.1412 BFGS: 709 16:32:28 27.062627 1.1342 BFGS: 710 16:32:28 26.933113 1.1272 BFGS: 711 16:32:28 26.804283 1.1203 BFGS: 712 16:32:28 26.676135 1.1134 BFGS: 713 16:32:28 26.548667 1.1065 BFGS: 714 16:32:28 26.421873 1.0997 BFGS: 715 16:32:28 26.295753 1.0928 BFGS: 716 16:32:28 26.170302 1.0860 BFGS: 717 16:32:28 26.045518 1.0793 BFGS: 718 16:32:28 25.921393 1.0726 BFGS: 719 16:32:28 25.797858 1.0665 BFGS: 720 16:32:28 25.674863 1.0607 BFGS: 721 16:32:28 25.552404 1.0548 BFGS: 722 16:32:28 25.430478 1.0490 BFGS: 723 16:32:28 25.309084 1.0431 BFGS: 724 16:32:28 25.188221 1.0373 BFGS: 725 16:32:28 25.067887 1.0315 BFGS: 726 16:32:28 24.948079 1.0258 BFGS: 727 16:32:28 24.828797 1.0200 BFGS: 728 16:32:28 24.710038 1.0143 BFGS: 729 16:32:28 24.591802 1.0086 BFGS: 730 16:32:28 24.474086 1.0028 BFGS: 731 16:32:28 24.356889 0.9972 BFGS: 732 16:32:28 24.240209 0.9915 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BFGS: 1124 16:32:30 2.801825 0.2231 BFGS: 1125 16:32:30 2.782451 0.2236 BFGS: 1126 16:32:30 2.763167 0.2241 BFGS: 1127 16:32:30 2.743972 0.2246 BFGS: 1128 16:32:30 2.724866 0.2251 BFGS: 1129 16:32:30 2.705850 0.2255 BFGS: 1130 16:32:30 2.686921 0.2260 BFGS: 1131 16:32:30 2.668081 0.2265 BFGS: 1132 16:32:30 2.649329 0.2269 BFGS: 1133 16:32:30 2.630665 0.2274 BFGS: 1134 16:32:30 2.612088 0.2279 BFGS: 1135 16:32:30 2.593599 0.2283 BFGS: 1136 16:32:30 2.575196 0.2288 BFGS: 1137 16:32:30 2.556881 0.2292 BFGS: 1138 16:32:30 2.538651 0.2296 BFGS: 1139 16:32:30 2.520508 0.2301 BFGS: 1140 16:32:30 2.502451 0.2305 BFGS: 1141 16:32:30 2.484479 0.2309 BFGS: 1142 16:32:30 2.466593 0.2314 BFGS: 1143 16:32:30 2.448792 0.2318 BFGS: 1144 16:32:30 2.431076 0.2322 BFGS: 1145 16:32:30 2.413444 0.2326 BFGS: 1146 16:32:30 2.395897 0.2330 BFGS: 1147 16:32:30 2.378434 0.2335 BFGS: 1148 16:32:30 2.361054 0.2339 BFGS: 1149 16:32:30 2.343759 0.2343 BFGS: 1150 16:32:30 2.326546 0.2347 BFGS: 1151 16:32:30 2.309417 0.2351 BFGS: 1152 16:32:30 2.292371 0.2354 BFGS: 1153 16:32:30 2.275407 0.2358 BFGS: 1154 16:32:30 2.258526 0.2362 BFGS: 1155 16:32:30 2.241727 0.2366 BFGS: 1156 16:32:30 2.225009 0.2370 BFGS: 1157 16:32:30 2.208374 0.2373 BFGS: 1158 16:32:30 2.191819 0.2377 BFGS: 1159 16:32:30 2.175346 0.2381 BFGS: 1160 16:32:30 2.158954 0.2384 BFGS: 1161 16:32:30 2.142642 0.2388 BFGS: 1162 16:32:30 2.126411 0.2391 BFGS: 1163 16:32:30 2.110260 0.2395 BFGS: 1164 16:32:30 2.094189 0.2398 BFGS: 1165 16:32:30 2.078197 0.2402 BFGS: 1166 16:32:30 2.062285 0.2405 BFGS: 1167 16:32:30 2.046453 0.2408 BFGS: 1168 16:32:30 2.030699 0.2412 BFGS: 1169 16:32:30 2.015024 0.2415 BFGS: 1170 16:32:30 1.999427 0.2418 BFGS: 1171 16:32:30 1.983909 0.2421 BFGS: 1172 16:32:30 1.968469 0.2424 BFGS: 1173 16:32:30 1.953107 0.2427 BFGS: 1174 16:32:30 1.937822 0.2431 BFGS: 1175 16:32:30 1.922615 0.2434 BFGS: 1176 16:32:30 1.907485 0.2437 BFGS: 1177 16:32:30 1.892431 0.2439 BFGS: 1178 16:32:30 1.877455 0.2442 BFGS: 1179 16:32:30 1.862555 0.2445 BFGS: 1180 16:32:30 1.847731 0.2448 BFGS: 1181 16:32:30 1.832983 0.2451 BFGS: 1182 16:32:30 1.818311 0.2453 BFGS: 1183 16:32:30 1.803714 0.2456 BFGS: 1184 16:32:30 1.789193 0.2459 BFGS: 1185 16:32:30 1.774747 0.2461 BFGS: 1186 16:32:30 1.760376 0.2464 BFGS: 1187 16:32:30 1.746079 0.2466 BFGS: 1188 16:32:30 1.731857 0.2469 BFGS: 1189 16:32:30 1.717709 0.2471 BFGS: 1190 16:32:30 1.703635 0.2474 BFGS: 1191 16:32:30 1.689635 0.2476 BFGS: 1192 16:32:30 1.675709 0.2478 BFGS: 1193 16:32:30 1.661856 0.2481 BFGS: 1194 16:32:30 1.648076 0.2483 BFGS: 1195 16:32:30 1.634369 0.2485 BFGS: 1196 16:32:30 1.620735 0.2487 BFGS: 1197 16:32:30 1.607174 0.2489 BFGS: 1198 16:32:30 1.593684 0.2491 BFGS: 1199 16:32:30 1.580267 0.2493 BFGS: 1200 16:32:30 1.566922 0.2495 BFGS: 1201 16:32:30 1.553648 0.2497 BFGS: 1202 16:32:30 1.540446 0.2499 BFGS: 1203 16:32:30 1.527316 0.2501 BFGS: 1204 16:32:30 1.514256 0.2503 BFGS: 1205 16:32:30 1.501267 0.2504 BFGS: 1206 16:32:30 1.488349 0.2506 BFGS: 1207 16:32:30 1.475501 0.2508 BFGS: 1208 16:32:30 1.462724 0.2509 BFGS: 1209 16:32:30 1.450016 0.2511 BFGS: 1210 16:32:30 1.437379 0.2513 BFGS: 1211 16:32:30 1.424811 0.2514 BFGS: 1212 16:32:30 1.412312 0.2515 BFGS: 1213 16:32:30 1.399883 0.2517 BFGS: 1214 16:32:30 1.387523 0.2518 BFGS: 1215 16:32:30 1.375232 0.2519 BFGS: 1216 16:32:30 1.363009 0.2521 BFGS: 1217 16:32:30 1.350855 0.2522 BFGS: 1218 16:32:30 1.338769 0.2523 BFGS: 1219 16:32:30 1.326752 0.2524 BFGS: 1220 16:32:30 1.314802 0.2525 BFGS: 1221 16:32:30 1.302920 0.2526 BFGS: 1222 16:32:30 1.291105 0.2527 BFGS: 1223 16:32:30 1.279358 0.2528 BFGS: 1224 16:32:30 1.267677 0.2529 BFGS: 1225 16:32:30 1.256064 0.2530 BFGS: 1226 16:32:30 1.244517 0.2531 BFGS: 1227 16:32:30 1.233037 0.2531 BFGS: 1228 16:32:30 1.221624 0.2532 BFGS: 1229 16:32:30 1.210276 0.2533 BFGS: 1230 16:32:30 1.198995 0.2533 BFGS: 1231 16:32:30 1.187779 0.2534 BFGS: 1232 16:32:30 1.176629 0.2534 BFGS: 1233 16:32:30 1.165544 0.2535 BFGS: 1234 16:32:30 1.154525 0.2535 BFGS: 1235 16:32:30 1.143571 0.2535 BFGS: 1236 16:32:30 1.132681 0.2536 BFGS: 1237 16:32:30 1.121857 0.2536 BFGS: 1238 16:32:30 1.111097 0.2536 BFGS: 1239 16:32:30 1.100401 0.2536 BFGS: 1240 16:32:30 1.089769 0.2536 BFGS: 1241 16:32:30 1.079201 0.2536 BFGS: 1242 16:32:30 1.068697 0.2536 BFGS: 1243 16:32:30 1.058257 0.2536 BFGS: 1244 16:32:30 1.047880 0.2536 BFGS: 1245 16:32:30 1.037567 0.2536 BFGS: 1246 16:32:30 1.027317 0.2536 BFGS: 1247 16:32:30 1.017129 0.2536 BFGS: 1248 16:32:30 1.007004 0.2535 BFGS: 1249 16:32:30 0.996942 0.2535 BFGS: 1250 16:32:30 0.986943 0.2535 BFGS: 1251 16:32:30 0.977005 0.2534 BFGS: 1252 16:32:30 0.967130 0.2534 BFGS: 1253 16:32:30 0.957316 0.2533 BFGS: 1254 16:32:30 0.947565 0.2533 BFGS: 1255 16:32:30 0.937874 0.2532 BFGS: 1256 16:32:30 0.928246 0.2531 BFGS: 1257 16:32:30 0.918678 0.2530 BFGS: 1258 16:32:30 0.909172 0.2530 BFGS: 1259 16:32:30 0.899726 0.2529 BFGS: 1260 16:32:31 0.890341 0.2528 BFGS: 1261 16:32:31 0.881017 0.2527 BFGS: 1262 16:32:31 0.871753 0.2526 BFGS: 1263 16:32:31 0.862549 0.2525 BFGS: 1264 16:32:31 0.853406 0.2524 BFGS: 1265 16:32:31 0.844322 0.2522 BFGS: 1266 16:32:31 0.835298 0.2521 BFGS: 1267 16:32:31 0.826334 0.2520 BFGS: 1268 16:32:31 0.817429 0.2518 BFGS: 1269 16:32:31 0.808583 0.2517 BFGS: 1270 16:32:31 0.799797 0.2516 BFGS: 1271 16:32:31 0.791069 0.2514 BFGS: 1272 16:32:31 0.782400 0.2512 BFGS: 1273 16:32:31 0.773790 0.2511 BFGS: 1274 16:32:31 0.765238 0.2509 BFGS: 1275 16:32:31 0.756745 0.2507 BFGS: 1276 16:32:31 0.748310 0.2506 BFGS: 1277 16:32:31 0.739933 0.2504 BFGS: 1278 16:32:31 0.731613 0.2502 BFGS: 1279 16:32:31 0.723352 0.2500 BFGS: 1280 16:32:31 0.715148 0.2498 BFGS: 1281 16:32:31 0.707001 0.2496 BFGS: 1282 16:32:31 0.698912 0.2494 BFGS: 1283 16:32:31 0.690880 0.2492 BFGS: 1284 16:32:31 0.682904 0.2489 BFGS: 1285 16:32:31 0.674986 0.2487 BFGS: 1286 16:32:31 0.667124 0.2485 BFGS: 1287 16:32:31 0.659319 0.2482 BFGS: 1288 16:32:31 0.651570 0.2480 BFGS: 1289 16:32:31 0.643877 0.2477 BFGS: 1290 16:32:31 0.636240 0.2475 BFGS: 1291 16:32:31 0.628659 0.2472 BFGS: 1292 16:32:31 0.621134 0.2469 BFGS: 1293 16:32:31 0.613665 0.2467 BFGS: 1294 16:32:31 0.606251 0.2464 BFGS: 1295 16:32:31 0.598893 0.2461 BFGS: 1296 16:32:31 0.591589 0.2458 BFGS: 1297 16:32:31 0.584341 0.2455 BFGS: 1298 16:32:31 0.577148 0.2452 BFGS: 1299 16:32:31 0.570009 0.2449 BFGS: 1300 16:32:31 0.562925 0.2445 BFGS: 1301 16:32:31 0.555895 0.2442 BFGS: 1302 16:32:31 0.548920 0.2439 BFGS: 1303 16:32:31 0.541999 0.2436 BFGS: 1304 16:32:31 0.535133 0.2432 BFGS: 1305 16:32:31 0.528320 0.2429 BFGS: 1306 16:32:31 0.521561 0.2425 BFGS: 1307 16:32:31 0.514855 0.2422 BFGS: 1308 16:32:31 0.508203 0.2418 BFGS: 1309 16:32:31 0.501605 0.2414 BFGS: 1310 16:32:31 0.495059 0.2410 BFGS: 1311 16:32:31 0.488567 0.2406 BFGS: 1312 16:32:31 0.482128 0.2403 BFGS: 1313 16:32:31 0.475742 0.2399 BFGS: 1314 16:32:31 0.469408 0.2395 BFGS: 1315 16:32:31 0.463127 0.2390 BFGS: 1316 16:32:31 0.456899 0.2386 BFGS: 1317 16:32:31 0.450722 0.2382 BFGS: 1318 16:32:31 0.444598 0.2378 BFGS: 1319 16:32:31 0.438526 0.2373 BFGS: 1320 16:32:31 0.432502 0.2369 BFGS: 1321 16:32:31 0.426527 0.2364 BFGS: 1322 16:32:31 0.420602 0.2360 BFGS: 1323 16:32:31 0.414725 0.2355 BFGS: 1324 16:32:31 0.408897 0.2350 BFGS: 1325 16:32:31 0.403118 0.2345 BFGS: 1326 16:32:31 0.397388 0.2340 BFGS: 1327 16:32:31 0.391706 0.2335 BFGS: 1328 16:32:31 0.386072 0.2330 BFGS: 1329 16:32:31 0.380486 0.2325 BFGS: 1330 16:32:31 0.374948 0.2319 BFGS: 1331 16:32:31 0.369459 0.2314 BFGS: 1332 16:32:31 0.364016 0.2308 BFGS: 1333 16:32:31 0.358622 0.2302 BFGS: 1334 16:32:31 0.353275 0.2296 BFGS: 1335 16:32:31 0.347975 0.2291 BFGS: 1336 16:32:31 0.342723 0.2285 BFGS: 1337 16:32:31 0.337517 0.2278 BFGS: 1338 16:32:31 0.332359 0.2272 BFGS: 1339 16:32:31 0.327247 0.2266 BFGS: 1340 16:32:31 0.322182 0.2260 BFGS: 1341 16:32:31 0.317163 0.2253 BFGS: 1342 16:32:31 0.312191 0.2247 BFGS: 1343 16:32:31 0.307263 0.2240 BFGS: 1344 16:32:31 0.302376 0.2233 BFGS: 1345 16:32:31 0.297532 0.2226 BFGS: 1346 16:32:31 0.292729 0.2219 BFGS: 1347 16:32:31 0.287968 0.2212 BFGS: 1348 16:32:31 0.283248 0.2204 BFGS: 1349 16:32:31 0.278570 0.2197 BFGS: 1350 16:32:31 0.273934 0.2189 BFGS: 1351 16:32:31 0.269339 0.2181 BFGS: 1352 16:32:31 0.264784 0.2173 BFGS: 1353 16:32:31 0.260271 0.2165 BFGS: 1354 16:32:31 0.255799 0.2156 BFGS: 1355 16:32:31 0.251368 0.2148 BFGS: 1356 16:32:31 0.246978 0.2139 BFGS: 1357 16:32:31 0.242628 0.2130 BFGS: 1358 16:32:31 0.238319 0.2122 BFGS: 1359 16:32:31 0.234051 0.2113 BFGS: 1360 16:32:31 0.229823 0.2103 BFGS: 1361 16:32:31 0.225635 0.2094 BFGS: 1362 16:32:31 0.221488 0.2084 BFGS: 1363 16:32:31 0.217381 0.2075 BFGS: 1364 16:32:31 0.213314 0.2065 BFGS: 1365 16:32:31 0.209287 0.2055 BFGS: 1366 16:32:31 0.205300 0.2045 BFGS: 1367 16:32:31 0.201354 0.2035 BFGS: 1368 16:32:31 0.197447 0.2025 BFGS: 1369 16:32:31 0.193579 0.2014 BFGS: 1370 16:32:31 0.189752 0.2003 BFGS: 1371 16:32:31 0.185964 0.1993 BFGS: 1372 16:32:31 0.182216 0.1982 BFGS: 1373 16:32:31 0.178507 0.1971 BFGS: 1374 16:32:31 0.174838 0.1960 BFGS: 1375 16:32:31 0.171208 0.1948 BFGS: 1376 16:32:31 0.167618 0.1937 BFGS: 1377 16:32:31 0.164067 0.1925 BFGS: 1378 16:32:31 0.160555 0.1914 BFGS: 1379 16:32:31 0.157082 0.1902 BFGS: 1380 16:32:31 0.153649 0.1890 BFGS: 1381 16:32:31 0.150255 0.1878 BFGS: 1382 16:32:31 0.146899 0.1865 BFGS: 1383 16:32:31 0.143583 0.1853 BFGS: 1384 16:32:31 0.140306 0.1840 BFGS: 1385 16:32:31 0.137067 0.1828 BFGS: 1386 16:32:31 0.133868 0.1815 BFGS: 1387 16:32:31 0.130707 0.1802 BFGS: 1388 16:32:31 0.127585 0.1789 BFGS: 1389 16:32:31 0.124502 0.1776 BFGS: 1390 16:32:31 0.121457 0.1763 BFGS: 1391 16:32:31 0.118451 0.1749 BFGS: 1392 16:32:31 0.115484 0.1736 BFGS: 1393 16:32:31 0.112555 0.1722 BFGS: 1394 16:32:31 0.109665 0.1708 BFGS: 1395 16:32:31 0.106814 0.1694 BFGS: 1396 16:32:31 0.104000 0.1680 BFGS: 1397 16:32:31 0.101226 0.1666 BFGS: 1398 16:32:31 0.098489 0.1652 BFGS: 1399 16:32:31 0.095791 0.1637 BFGS: 1400 16:32:31 0.093132 0.1623 BFGS: 1401 16:32:31 0.090510 0.1608 BFGS: 1402 16:32:31 0.087927 0.1593 BFGS: 1403 16:32:31 0.085383 0.1578 BFGS: 1404 16:32:31 0.082876 0.1563 BFGS: 1405 16:32:31 0.080408 0.1548 BFGS: 1406 16:32:31 0.077977 0.1533 BFGS: 1407 16:32:31 0.075585 0.1517 BFGS: 1408 16:32:31 0.073231 0.1502 BFGS: 1409 16:32:31 0.070916 0.1486 BFGS: 1410 16:32:31 0.068638 0.1470 BFGS: 1411 16:32:31 0.066398 0.1454 BFGS: 1412 16:32:31 0.064196 0.1438 BFGS: 1413 16:32:31 0.062033 0.1422 BFGS: 1414 16:32:31 0.059907 0.1406 BFGS: 1415 16:32:31 0.057819 0.1389 BFGS: 1416 16:32:31 0.055769 0.1373 BFGS: 1417 16:32:31 0.053757 0.1356 BFGS: 1418 16:32:31 0.051783 0.1339 BFGS: 1419 16:32:31 0.049847 0.1322 BFGS: 1420 16:32:31 0.047949 0.1305 BFGS: 1421 16:32:31 0.046088 0.1288 BFGS: 1422 16:32:31 0.044266 0.1271 BFGS: 1423 16:32:31 0.042481 0.1254 BFGS: 1424 16:32:31 0.040734 0.1236 BFGS: 1425 16:32:31 0.039024 0.1218 BFGS: 1426 16:32:31 0.037353 0.1201 BFGS: 1427 16:32:31 0.035719 0.1183 BFGS: 1428 16:32:31 0.034123 0.1165 BFGS: 1429 16:32:31 0.032565 0.1147 BFGS: 1430 16:32:31 0.031044 0.1129 BFGS: 1431 16:32:31 0.029562 0.1110 BFGS: 1432 16:32:31 0.028116 0.1092 BFGS: 1433 16:32:31 0.026709 0.1073 BFGS: 1434 16:32:31 0.025339 0.1055 BFGS: 1435 16:32:31 0.024007 0.1036 BFGS: 1436 16:32:31 0.022713 0.1017 BFGS: 1437 16:32:31 0.021456 0.0998 BFGS: 1438 16:32:31 0.020237 0.0979 BFGS: 1439 16:32:31 0.019055 0.0959 BFGS: 1440 16:32:31 0.017911 0.0939 BFGS: 1441 16:32:31 0.016804 0.0913 BFGS: 1442 16:32:31 0.015733 0.0888 BFGS: 1443 16:32:31 0.014700 0.0863 BFGS: 1444 16:32:31 0.013703 0.0838 BFGS: 1445 16:32:31 0.012744 0.0814 BFGS: 1446 16:32:31 0.011821 0.0789 BFGS: 1447 16:32:31 0.010934 0.0764 BFGS: 1448 16:32:31 0.010085 0.0740 BFGS: 1449 16:32:31 0.009272 0.0716 BFGS: 1450 16:32:31 0.008496 0.0692 BFGS: 1451 16:32:31 0.007756 0.0669 BFGS: 1452 16:32:31 0.007053 0.0645 BFGS: 1453 16:32:31 0.006386 0.0622 BFGS: 1454 16:32:31 0.005756 0.0599 BFGS: 1455 16:32:31 0.005161 0.0577 BFGS: 1456 16:32:31 0.004603 0.0555 BFGS: 1457 16:32:32 0.004081 0.0533 BFGS: 1458 16:32:32 0.003596 0.0512 BFGS: 1459 16:32:32 0.003146 0.0492 BFGS: 1460 16:32:32 0.002731 0.0472 BFGS: 1461 16:32:32 0.002353 0.0453 BFGS: 1462 16:32:32 0.002010 0.0434 BFGS: 1463 16:32:32 0.001703 0.0417 BFGS: 1464 16:32:32 0.001431 0.0400 BFGS: 1465 16:32:32 0.001193 0.0378 BFGS: 1466 16:32:32 0.000979 0.0342 BFGS: 1467 16:32:32 0.000786 0.0306 BFGS: 1468 16:32:32 0.000614 0.0271 BFGS: 1469 16:32:32 0.000464 0.0235 BFGS: 1470 16:32:32 0.000334 0.0199 BFGS: 1471 16:32:32 0.000226 0.0164 BFGS: 1472 16:32:32 0.000139 0.0128 BFGS: 1473 16:32:32 0.000073 0.0093 BFGS: 1474 16:32:32 0.000028 0.0057 BFGS: 1475 16:32:32 0.000004 0.0022 BFGS: 1476 16:32:32 0.000000 0.0000 Minimization converged after 1476 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 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 = [[1.69131996e-01 9.02382901e-02 6.84369861e-34] [8.30868004e-01 9.09761710e-01 2.19353927e-34] [8.30868004e-01 9.02382901e-02 0.00000000e+00] [1.69131996e-01 9.09761710e-01 0.00000000e+00] [6.69131996e-01 5.90238290e-01 7.08293386e-34] [3.30868004e-01 4.09761710e-01 1.96391425e-34] [3.30868004e-01 5.90238290e-01 0.00000000e+00] [6.69131996e-01 4.09761710e-01 0.00000000e+00] [1.57227444e-01 3.16425104e-01 5.00000000e-01] [8.42772556e-01 6.83574896e-01 5.00000000e-01] [8.42772556e-01 3.16425104e-01 5.00000000e-01] [1.57227444e-01 6.83574896e-01 5.00000000e-01] [6.57227444e-01 8.16425104e-01 5.00000000e-01] [3.42772556e-01 1.83574896e-01 5.00000000e-01] [3.42772556e-01 8.16425104e-01 5.00000000e-01] [6.57227444e-01 1.83574896e-01 5.00000000e-01]] cellpar = Cell([[23.60632390885854, 1.8947376526397242e-33, 0.0], [3.402746155223302e-33, 44.42863145043284, 0.0], [0.0, 0.0, 9.093884061220308]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0