element(s): ['C'] AFLOW prototype label: A_oP16_62_4c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C'] representative atom coordinates = [[0.80509054 0.25 0.07436885] [0.18951676 0.25 0.70009446] [0.5207376 0.25 0.90843723] [0.46345886 0.25 0.56850299]] spacegroup = 62 cell = [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]] ========================================= Step Time Energy fmax BFGS: 0 17:10:18 2052.709861 211.272256 BFGS: 1 17:10:18 2018.549159 205.275221 BFGS: 2 17:10:18 1988.429495 202.233839 BFGS: 3 17:10:18 1964.025297 198.132320 BFGS: 4 17:10:18 1937.549725 195.478443 BFGS: 5 17:10:18 1911.351742 189.865543 BFGS: 6 17:10:18 1886.056773 186.885877 BFGS: 7 17:10:18 1860.436599 183.317166 BFGS: 8 17:10:18 1834.621340 178.726082 BFGS: 9 17:10:18 1810.897746 176.006444 BFGS: 10 17:10:19 1787.808425 172.883394 BFGS: 11 17:10:19 1765.149498 169.858792 BFGS: 12 17:10:19 1743.093745 166.861130 BFGS: 13 17:10:19 1721.574053 163.859941 BFGS: 14 17:10:19 1700.330170 160.835778 BFGS: 15 17:10:19 1679.068940 157.852959 BFGS: 16 17:10:19 1658.064914 155.063189 BFGS: 17 17:10:19 1637.176891 152.345107 BFGS: 18 17:10:19 1616.763260 149.721152 BFGS: 19 17:10:19 1596.917138 147.191095 BFGS: 20 17:10:19 1577.579890 144.739645 BFGS: 21 17:10:19 1558.692889 142.355662 BFGS: 22 17:10:19 1540.224153 140.034886 BFGS: 23 17:10:19 1522.154148 137.779292 BFGS: 24 17:10:19 1504.454239 135.587197 BFGS: 25 17:10:19 1487.083730 133.445435 BFGS: 26 17:10:20 1470.025316 131.350049 BFGS: 27 17:10:20 1453.287649 129.302258 BFGS: 28 17:10:20 1436.864794 127.300738 BFGS: 29 17:10:20 1420.761274 125.347110 BFGS: 30 17:10:20 1404.973500 123.436553 BFGS: 31 17:10:20 1389.484642 121.570060 BFGS: 32 17:10:21 1374.290337 119.744692 BFGS: 33 17:10:21 1359.379925 117.959533 BFGS: 34 17:10:21 1344.744389 116.219780 BFGS: 35 17:10:21 1330.393298 114.519268 BFGS: 36 17:10:21 1316.325992 112.857451 BFGS: 37 17:10:21 1302.532456 111.231904 BFGS: 38 17:10:21 1288.999529 109.640071 BFGS: 39 17:10:21 1275.714375 108.080375 BFGS: 40 17:10:21 1262.662725 106.552691 BFGS: 41 17:10:21 1249.832529 105.056643 BFGS: 42 17:10:21 1237.217779 103.588424 BFGS: 43 17:10:21 1224.807191 102.146836 BFGS: 44 17:10:21 1212.587394 100.730233 BFGS: 45 17:10:21 1200.550942 99.337468 BFGS: 46 17:10:21 1188.686046 97.971568 BFGS: 47 17:10:21 1176.976097 96.629677 BFGS: 48 17:10:22 1165.410035 95.313013 BFGS: 49 17:10:22 1153.969109 94.013311 BFGS: 50 17:10:22 1142.646134 92.734509 BFGS: 51 17:10:22 1131.436585 91.471937 BFGS: 52 17:10:22 1120.328909 90.231399 BFGS: 53 17:10:22 1109.310337 89.008371 BFGS: 54 17:10:22 1098.366251 87.797124 BFGS: 55 17:10:22 1087.482472 86.599199 BFGS: 56 17:10:22 1076.639801 85.409199 BFGS: 57 17:10:22 1065.830233 84.227052 BFGS: 58 17:10:22 1055.169567 83.064552 BFGS: 59 17:10:22 1044.684437 81.926460 BFGS: 60 17:10:22 1034.366762 80.808780 BFGS: 61 17:10:22 1024.205649 79.713330 BFGS: 62 17:10:22 1014.200549 78.641250 BFGS: 63 17:10:22 1004.354455 77.591862 BFGS: 64 17:10:22 994.659368 76.561073 BFGS: 65 17:10:22 985.108252 75.549770 BFGS: 66 17:10:22 975.697134 74.556874 BFGS: 67 17:10:22 966.418499 73.580680 BFGS: 68 17:10:22 957.266884 72.621316 BFGS: 69 17:10:22 948.238795 71.676468 BFGS: 70 17:10:22 939.326897 70.745248 BFGS: 71 17:10:22 930.524376 69.826831 BFGS: 72 17:10:22 921.824324 68.924783 BFGS: 73 17:10:22 913.224123 68.035641 BFGS: 74 17:10:22 904.717007 67.157890 BFGS: 75 17:10:22 896.296024 66.290915 BFGS: 76 17:10:23 887.954256 65.434563 BFGS: 77 17:10:23 879.684643 64.588814 BFGS: 78 17:10:23 871.479279 63.750740 BFGS: 79 17:10:23 863.329674 62.921488 BFGS: 80 17:10:23 855.230851 62.144140 BFGS: 81 17:10:23 847.175283 61.378818 BFGS: 82 17:10:23 839.154732 60.614978 BFGS: 83 17:10:23 831.159062 59.852820 BFGS: 84 17:10:23 823.173372 59.088415 BFGS: 85 17:10:23 815.185603 58.319530 BFGS: 86 17:10:23 807.183480 57.543223 BFGS: 87 17:10:23 799.153488 56.757201 BFGS: 88 17:10:23 791.082130 55.961803 BFGS: 89 17:10:23 782.952189 55.152734 BFGS: 90 17:10:23 774.747351 54.326700 BFGS: 91 17:10:24 766.451734 53.482484 BFGS: 92 17:10:24 758.055964 52.667302 BFGS: 93 17:10:24 749.550026 51.953616 BFGS: 94 17:10:24 740.918522 51.244506 BFGS: 95 17:10:24 732.149768 50.537819 BFGS: 96 17:10:24 723.569489 49.858565 BFGS: 97 17:10:24 715.569096 49.236051 BFGS: 98 17:10:24 708.122253 48.664406 BFGS: 99 17:10:24 701.186525 48.136809 BFGS: 100 17:10:24 694.709430 47.647868 BFGS: 101 17:10:24 688.634184 47.194885 BFGS: 102 17:10:24 682.908306 46.768650 BFGS: 103 17:10:24 677.478296 46.367116 BFGS: 104 17:10:24 672.300748 45.983571 BFGS: 105 17:10:24 667.336334 45.613965 BFGS: 106 17:10:24 662.551038 45.255995 BFGS: 107 17:10:24 657.916401 44.906967 BFGS: 108 17:10:24 653.408914 44.563998 BFGS: 109 17:10:24 649.009567 44.225488 BFGS: 110 17:10:24 644.702469 43.891971 BFGS: 111 17:10:25 640.475192 43.561389 BFGS: 112 17:10:25 636.316121 43.231960 BFGS: 113 17:10:25 632.215856 42.902955 BFGS: 114 17:10:25 628.166539 42.574357 BFGS: 115 17:10:25 624.161544 42.245494 BFGS: 116 17:10:25 620.195035 41.915856 BFGS: 117 17:10:25 616.261147 41.592623 BFGS: 118 17:10:25 612.359238 41.282437 BFGS: 119 17:10:25 608.492049 40.972977 BFGS: 120 17:10:25 604.656042 40.661585 BFGS: 121 17:10:26 600.848933 40.350396 BFGS: 122 17:10:26 597.068214 40.037606 BFGS: 123 17:10:26 593.311291 39.722437 BFGS: 124 17:10:26 589.577003 39.404965 BFGS: 125 17:10:26 585.861985 39.088967 BFGS: 126 17:10:26 582.166874 38.774241 BFGS: 127 17:10:26 578.493336 38.453885 BFGS: 128 17:10:26 574.841049 38.128531 BFGS: 129 17:10:26 571.209773 37.799997 BFGS: 130 17:10:26 567.600037 37.465142 BFGS: 131 17:10:26 564.011156 37.121854 BFGS: 132 17:10:27 560.441922 36.772400 BFGS: 133 17:10:27 556.890494 36.413924 BFGS: 134 17:10:27 553.353632 36.047145 BFGS: 135 17:10:27 549.826904 35.669250 BFGS: 136 17:10:27 546.304403 35.283473 BFGS: 137 17:10:27 542.779795 34.889396 BFGS: 138 17:10:27 539.244173 34.484392 BFGS: 139 17:10:27 535.685814 34.068461 BFGS: 140 17:10:27 532.092108 33.642278 BFGS: 141 17:10:27 528.450283 33.211011 BFGS: 142 17:10:27 524.750852 32.772890 BFGS: 143 17:10:27 520.984652 32.328605 BFGS: 144 17:10:27 517.405692 31.911486 BFGS: 145 17:10:27 513.970991 31.699450 BFGS: 146 17:10:27 510.628245 31.488060 BFGS: 147 17:10:27 507.351385 31.274140 BFGS: 148 17:10:27 504.073752 31.051662 BFGS: 149 17:10:27 500.745639 30.819907 BFGS: 150 17:10:27 497.331183 30.577091 BFGS: 151 17:10:27 493.806697 30.320490 BFGS: 152 17:10:27 490.149957 30.047496 BFGS: 153 17:10:27 486.355092 29.756655 BFGS: 154 17:10:27 482.451448 29.450761 BFGS: 155 17:10:27 478.570566 29.140930 BFGS: 156 17:10:27 474.810699 28.836290 BFGS: 157 17:10:27 471.179150 28.539470 BFGS: 158 17:10:27 467.677478 28.255488 BFGS: 159 17:10:27 464.299111 27.980057 BFGS: 160 17:10:27 461.037765 27.718345 BFGS: 161 17:10:27 457.890702 27.493577 BFGS: 162 17:10:27 454.847881 27.277907 BFGS: 163 17:10:27 451.899169 27.069381 BFGS: 164 17:10:27 449.035789 26.867550 BFGS: 165 17:10:27 446.250317 26.671186 BFGS: 166 17:10:27 443.535182 26.479499 BFGS: 167 17:10:27 440.883527 26.291840 BFGS: 168 17:10:27 438.289251 26.107698 BFGS: 169 17:10:27 435.747077 25.926650 BFGS: 170 17:10:27 433.252482 25.748353 BFGS: 171 17:10:27 430.801593 25.573373 BFGS: 172 17:10:27 428.390634 25.401968 BFGS: 173 17:10:27 426.019066 25.232814 BFGS: 174 17:10:27 423.684670 25.065777 BFGS: 175 17:10:27 421.385129 24.900738 BFGS: 176 17:10:27 419.118483 24.737602 BFGS: 177 17:10:28 416.883043 24.576321 BFGS: 178 17:10:28 414.676934 24.417535 BFGS: 179 17:10:28 412.498689 24.261678 BFGS: 180 17:10:28 410.345942 24.109900 BFGS: 181 17:10:28 408.216369 23.959486 BFGS: 182 17:10:28 406.109400 23.810470 BFGS: 183 17:10:28 404.024490 23.662946 BFGS: 184 17:10:28 401.961315 23.516990 BFGS: 185 17:10:28 399.919676 23.372627 BFGS: 186 17:10:28 397.899118 23.229857 BFGS: 187 17:10:28 395.899129 23.088775 BFGS: 188 17:10:28 393.919200 22.949494 BFGS: 189 17:10:28 391.958836 22.812108 BFGS: 190 17:10:28 390.017484 22.677624 BFGS: 191 17:10:28 388.094599 22.544810 BFGS: 192 17:10:28 386.189795 22.413697 BFGS: 193 17:10:28 384.302415 22.284289 BFGS: 194 17:10:28 382.431786 22.156530 BFGS: 195 17:10:28 380.577476 22.030440 BFGS: 196 17:10:28 378.739082 21.906031 BFGS: 197 17:10:28 376.916198 21.783309 BFGS: 198 17:10:28 375.108413 21.662279 BFGS: 199 17:10:28 373.315317 21.542941 BFGS: 200 17:10:28 371.536487 21.425310 BFGS: 201 17:10:29 369.771531 21.309395 BFGS: 202 17:10:29 368.020118 21.195177 BFGS: 203 17:10:29 366.281703 21.082638 BFGS: 204 17:10:29 364.555735 20.971738 BFGS: 205 17:10:29 362.841697 20.862573 BFGS: 206 17:10:29 361.138946 20.755121 BFGS: 207 17:10:29 359.446847 20.649207 BFGS: 208 17:10:29 357.764897 20.545106 BFGS: 209 17:10:29 356.092543 20.445374 BFGS: 210 17:10:29 354.428688 20.347068 BFGS: 211 17:10:29 352.772739 20.250045 BFGS: 212 17:10:29 351.124145 20.154436 BFGS: 213 17:10:29 349.482175 20.061285 BFGS: 214 17:10:29 347.846971 19.969343 BFGS: 215 17:10:29 346.217531 19.878509 BFGS: 216 17:10:29 344.592987 19.789727 BFGS: 217 17:10:29 342.974750 19.702213 BFGS: 218 17:10:30 341.362185 19.615739 BFGS: 219 17:10:30 339.754103 19.531280 BFGS: 220 17:10:30 338.149128 19.448043 BFGS: 221 17:10:30 336.546367 19.365772 BFGS: 222 17:10:30 334.945064 19.284032 BFGS: 223 17:10:30 333.344451 19.202685 BFGS: 224 17:10:30 331.743710 19.121589 BFGS: 225 17:10:30 330.142002 19.040643 BFGS: 226 17:10:30 328.538316 18.961480 BFGS: 227 17:10:30 326.931158 18.883823 BFGS: 228 17:10:30 325.319686 18.807462 BFGS: 229 17:10:30 323.703698 18.731078 BFGS: 230 17:10:30 322.082765 18.654071 BFGS: 231 17:10:30 320.456304 18.576266 BFGS: 232 17:10:30 318.823228 18.497618 BFGS: 233 17:10:30 317.183237 18.417870 BFGS: 234 17:10:30 315.535715 18.337305 BFGS: 235 17:10:30 313.880511 18.255498 BFGS: 236 17:10:30 312.217503 18.172175 BFGS: 237 17:10:30 310.546353 18.087197 BFGS: 238 17:10:31 308.866712 18.001502 BFGS: 239 17:10:31 307.176865 17.914640 BFGS: 240 17:10:31 305.476714 17.827147 BFGS: 241 17:10:31 303.766886 17.737986 BFGS: 242 17:10:31 302.047982 17.646694 BFGS: 243 17:10:31 300.320821 17.553232 BFGS: 244 17:10:31 298.586427 17.457586 BFGS: 245 17:10:31 296.846010 17.359766 BFGS: 246 17:10:31 295.100956 17.259811 BFGS: 247 17:10:31 293.352805 17.157785 BFGS: 248 17:10:31 291.603120 17.053781 BFGS: 249 17:10:31 289.852813 16.947873 BFGS: 250 17:10:31 288.103601 16.840195 BFGS: 251 17:10:31 286.357366 16.730906 BFGS: 252 17:10:31 284.616034 16.620180 BFGS: 253 17:10:31 282.881536 16.508211 BFGS: 254 17:10:31 281.155773 16.395200 BFGS: 255 17:10:31 279.440574 16.281358 BFGS: 256 17:10:31 277.737661 16.166896 BFGS: 257 17:10:31 276.048613 16.052023 BFGS: 258 17:10:31 274.374828 15.936941 BFGS: 259 17:10:31 272.717495 15.821837 BFGS: 260 17:10:31 271.077566 15.706883 BFGS: 261 17:10:31 269.455743 15.592230 BFGS: 262 17:10:31 267.852463 15.478007 BFGS: 263 17:10:31 266.267906 15.364316 BFGS: 264 17:10:31 264.702001 15.251234 BFGS: 265 17:10:31 263.154440 15.138814 BFGS: 266 17:10:32 261.624707 15.027083 BFGS: 267 17:10:32 260.112019 14.916125 BFGS: 268 17:10:32 258.615130 14.805863 BFGS: 269 17:10:32 257.132691 14.698354 BFGS: 270 17:10:32 255.663558 14.591555 BFGS: 271 17:10:32 254.206783 14.485598 BFGS: 272 17:10:32 252.761027 14.384400 BFGS: 273 17:10:32 251.324521 14.284866 BFGS: 274 17:10:32 249.895395 14.185910 BFGS: 275 17:10:32 248.472346 14.087044 BFGS: 276 17:10:32 247.054378 13.988189 BFGS: 277 17:10:32 245.640473 13.889259 BFGS: 278 17:10:32 244.229598 13.790642 BFGS: 279 17:10:32 242.820724 13.692590 BFGS: 280 17:10:32 241.412971 13.595117 BFGS: 281 17:10:32 240.004988 13.498709 BFGS: 282 17:10:32 238.595740 13.401733 BFGS: 283 17:10:32 237.184307 13.304100 BFGS: 284 17:10:32 235.769838 13.205722 BFGS: 285 17:10:32 234.351944 13.106526 BFGS: 286 17:10:32 232.930345 13.006960 BFGS: 287 17:10:32 231.504455 12.907988 BFGS: 288 17:10:32 230.074389 12.808098 BFGS: 289 17:10:32 228.639834 12.707218 BFGS: 290 17:10:32 227.200581 12.605482 BFGS: 291 17:10:32 225.756421 12.503121 BFGS: 292 17:10:32 224.307287 12.399625 BFGS: 293 17:10:32 222.853134 12.295006 BFGS: 294 17:10:32 221.394659 12.189155 BFGS: 295 17:10:32 219.932132 12.082125 BFGS: 296 17:10:32 218.465952 11.974058 BFGS: 297 17:10:32 216.996422 11.866632 BFGS: 298 17:10:32 215.522494 11.762306 BFGS: 299 17:10:32 214.044971 11.656947 BFGS: 300 17:10:32 212.564712 11.550571 BFGS: 301 17:10:32 211.082421 11.443643 BFGS: 302 17:10:32 209.600294 11.336035 BFGS: 303 17:10:32 208.119635 11.227790 BFGS: 304 17:10:32 206.641540 11.119006 BFGS: 305 17:10:32 205.193180 11.011730 BFGS: 306 17:10:32 203.783654 10.906720 BFGS: 307 17:10:32 202.409317 10.803777 BFGS: 308 17:10:32 201.067028 10.703045 BFGS: 309 17:10:32 199.753502 10.605783 BFGS: 310 17:10:32 198.465647 10.510124 BFGS: 311 17:10:32 197.200987 10.415935 BFGS: 312 17:10:33 195.957198 10.323092 BFGS: 313 17:10:33 194.732109 10.231498 BFGS: 314 17:10:33 193.523559 10.141857 BFGS: 315 17:10:33 192.328755 10.053204 BFGS: 316 17:10:33 191.145954 9.965444 BFGS: 317 17:10:33 189.973542 9.878491 BFGS: 318 17:10:33 188.810032 9.792263 BFGS: 319 17:10:33 187.654050 9.706688 BFGS: 320 17:10:33 186.504333 9.621696 BFGS: 321 17:10:33 185.359719 9.537222 BFGS: 322 17:10:33 184.219141 9.453210 BFGS: 323 17:10:33 183.081492 9.371278 BFGS: 324 17:10:33 181.945232 9.289722 BFGS: 325 17:10:33 180.809570 9.208407 BFGS: 326 17:10:33 179.673818 9.127290 BFGS: 327 17:10:33 178.537354 9.046336 BFGS: 328 17:10:33 177.399619 8.965509 BFGS: 329 17:10:33 176.260116 8.884779 BFGS: 330 17:10:33 175.118400 8.804117 BFGS: 331 17:10:33 173.974082 8.723496 BFGS: 332 17:10:33 172.839741 8.643803 BFGS: 333 17:10:33 171.721555 8.565471 BFGS: 334 17:10:33 170.619139 8.488538 BFGS: 335 17:10:33 169.531954 8.412954 BFGS: 336 17:10:33 168.459693 8.338631 BFGS: 337 17:10:33 167.401995 8.265538 BFGS: 338 17:10:33 166.358505 8.193649 BFGS: 339 17:10:33 165.328859 8.123264 BFGS: 340 17:10:33 164.312766 8.054427 BFGS: 341 17:10:33 163.309831 7.986711 BFGS: 342 17:10:33 162.319694 7.920086 BFGS: 343 17:10:33 161.342013 7.854521 BFGS: 344 17:10:33 160.376463 7.795301 BFGS: 345 17:10:33 159.422728 7.748551 BFGS: 346 17:10:33 158.480509 7.702243 BFGS: 347 17:10:33 157.549516 7.656355 BFGS: 348 17:10:33 156.629470 7.610866 BFGS: 349 17:10:33 155.720073 7.565756 BFGS: 350 17:10:33 154.821449 7.520986 BFGS: 351 17:10:33 153.933313 7.476547 BFGS: 352 17:10:33 153.055359 7.433871 BFGS: 353 17:10:33 152.186947 7.393360 BFGS: 354 17:10:33 151.327561 7.353276 BFGS: 355 17:10:33 150.476883 7.313651 BFGS: 356 17:10:33 149.633948 7.274514 BFGS: 357 17:10:33 148.798281 7.235606 BFGS: 358 17:10:33 147.969833 7.196886 BFGS: 359 17:10:33 147.148536 7.158327 BFGS: 360 17:10:33 146.334317 7.119905 BFGS: 361 17:10:33 145.527100 7.082041 BFGS: 362 17:10:33 144.726743 7.045804 BFGS: 363 17:10:33 143.933174 7.009657 BFGS: 364 17:10:33 143.146322 6.973707 BFGS: 365 17:10:33 142.366019 6.937896 BFGS: 366 17:10:33 141.592274 6.903416 BFGS: 367 17:10:34 140.824879 6.868999 BFGS: 368 17:10:34 140.063837 6.834646 BFGS: 369 17:10:34 139.309169 6.800471 BFGS: 370 17:10:34 138.560713 6.767469 BFGS: 371 17:10:34 137.817798 6.734535 BFGS: 372 17:10:34 137.080337 6.701678 BFGS: 373 17:10:34 136.348312 6.668908 BFGS: 374 17:10:34 135.621857 6.636218 BFGS: 375 17:10:34 134.901101 6.603603 BFGS: 376 17:10:34 134.186175 6.571064 BFGS: 377 17:10:34 133.477210 6.538602 BFGS: 378 17:10:34 132.774340 6.506221 BFGS: 379 17:10:34 132.077673 6.474085 BFGS: 380 17:10:34 131.387759 6.442061 BFGS: 381 17:10:34 130.704826 6.410159 BFGS: 382 17:10:34 130.028998 6.378389 BFGS: 383 17:10:34 129.360370 6.346868 BFGS: 384 17:10:34 128.699017 6.315614 BFGS: 385 17:10:34 128.045148 6.284557 BFGS: 386 17:10:34 127.398815 6.253907 BFGS: 387 17:10:34 126.759877 6.223506 BFGS: 388 17:10:34 126.128462 6.193338 BFGS: 389 17:10:34 125.504656 6.163401 BFGS: 390 17:10:34 124.888629 6.133705 BFGS: 391 17:10:34 124.280480 6.104252 BFGS: 392 17:10:34 123.680252 6.075044 BFGS: 393 17:10:34 123.087872 6.047204 BFGS: 394 17:10:34 122.503306 6.019601 BFGS: 395 17:10:34 121.926562 5.992245 BFGS: 396 17:10:34 121.357578 5.966078 BFGS: 397 17:10:34 120.796311 5.940131 BFGS: 398 17:10:34 120.242668 5.914405 BFGS: 399 17:10:34 119.696537 5.888898 BFGS: 400 17:10:34 119.157779 5.863605 BFGS: 401 17:10:34 118.626239 5.838522 BFGS: 402 17:10:34 118.101743 5.813643 BFGS: 403 17:10:34 117.584097 5.788961 BFGS: 404 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BFGS: 718 17:10:42 26.254518 2.424842 BFGS: 719 17:10:42 26.117368 2.400878 BFGS: 720 17:10:42 25.980509 2.377077 BFGS: 721 17:10:42 25.843929 2.351469 BFGS: 722 17:10:42 25.707694 2.324999 BFGS: 723 17:10:42 25.571811 2.298714 BFGS: 724 17:10:42 25.436252 2.272037 BFGS: 725 17:10:42 25.301000 2.245183 BFGS: 726 17:10:42 25.166054 2.218617 BFGS: 727 17:10:42 25.031391 2.192355 BFGS: 728 17:10:42 24.896987 2.166411 BFGS: 729 17:10:42 24.762816 2.140797 BFGS: 730 17:10:42 24.628852 2.115525 BFGS: 731 17:10:42 24.495070 2.090605 BFGS: 732 17:10:42 24.361442 2.066047 BFGS: 733 17:10:42 24.227941 2.041856 BFGS: 734 17:10:42 24.094540 2.018040 BFGS: 735 17:10:42 23.961210 1.994603 BFGS: 736 17:10:42 23.827924 1.971549 BFGS: 737 17:10:42 23.694655 1.948878 BFGS: 738 17:10:42 23.561376 1.926592 BFGS: 739 17:10:42 23.428061 1.904691 BFGS: 740 17:10:42 23.294684 1.883171 BFGS: 741 17:10:42 23.161221 1.862031 BFGS: 742 17:10:42 23.027651 1.841266 BFGS: 743 17:10:42 22.893951 1.820872 BFGS: 744 17:10:42 22.760103 1.800842 BFGS: 745 17:10:42 22.626089 1.781170 BFGS: 746 17:10:42 22.491895 1.761850 BFGS: 747 17:10:42 22.357508 1.742873 BFGS: 748 17:10:42 22.222918 1.724232 BFGS: 749 17:10:42 22.088117 1.705919 BFGS: 750 17:10:42 21.953100 1.687925 BFGS: 751 17:10:42 21.817864 1.670243 BFGS: 752 17:10:42 21.682408 1.652865 BFGS: 753 17:10:42 21.546707 1.635782 BFGS: 754 17:10:42 21.410265 1.619001 BFGS: 755 17:10:43 21.272387 1.602226 BFGS: 756 17:10:43 21.133077 1.585459 BFGS: 757 17:10:43 20.992356 1.568705 BFGS: 758 17:10:43 20.850259 1.551971 BFGS: 759 17:10:43 20.706835 1.535266 BFGS: 760 17:10:43 20.562145 1.518601 BFGS: 761 17:10:43 20.416341 1.514058 BFGS: 762 17:10:43 20.269864 1.513594 BFGS: 763 17:10:43 20.122765 1.512831 BFGS: 764 17:10:43 19.975098 1.511776 BFGS: 765 17:10:43 19.826924 1.510441 BFGS: 766 17:10:43 19.678313 1.508838 BFGS: 767 17:10:43 19.529337 1.506980 BFGS: 768 17:10:43 19.380076 1.504881 BFGS: 769 17:10:43 19.230666 1.502567 BFGS: 770 17:10:43 19.081154 1.500043 BFGS: 771 17:10:43 18.931590 1.497313 BFGS: 772 17:10:43 18.782021 1.494383 BFGS: 773 17:10:43 18.632497 1.491259 BFGS: 774 17:10:43 18.483244 1.487948 BFGS: 775 17:10:43 18.334726 1.484468 BFGS: 776 17:10:43 18.186971 1.480825 BFGS: 777 17:10:43 18.040009 1.477024 BFGS: 778 17:10:43 17.893865 1.473073 BFGS: 779 17:10:43 17.748567 1.468977 BFGS: 780 17:10:43 17.604139 1.464742 BFGS: 781 17:10:43 17.460602 1.460373 BFGS: 782 17:10:43 17.317979 1.455875 BFGS: 783 17:10:43 17.176289 1.451253 BFGS: 784 17:10:43 17.035548 1.446512 BFGS: 785 17:10:43 16.895774 1.441656 BFGS: 786 17:10:43 16.756981 1.436690 BFGS: 787 17:10:43 16.619180 1.431616 BFGS: 788 17:10:43 16.482385 1.426440 BFGS: 789 17:10:43 16.346604 1.421164 BFGS: 790 17:10:43 16.211846 1.415792 BFGS: 791 17:10:43 16.078118 1.410327 BFGS: 792 17:10:43 15.945427 1.404772 BFGS: 793 17:10:43 15.813776 1.399130 BFGS: 794 17:10:43 15.683171 1.393403 BFGS: 795 17:10:43 15.553613 1.387595 BFGS: 796 17:10:43 15.425081 1.381707 BFGS: 797 17:10:43 15.297437 1.375720 BFGS: 798 17:10:43 15.170656 1.369616 BFGS: 799 17:10:43 15.044746 1.363400 BFGS: 800 17:10:43 14.919714 1.357077 BFGS: 801 17:10:43 14.795569 1.350650 BFGS: 802 17:10:43 14.672314 1.344123 BFGS: 803 17:10:43 14.549954 1.337500 BFGS: 804 17:10:43 14.428495 1.330783 BFGS: 805 17:10:43 14.307939 1.323976 BFGS: 806 17:10:43 14.188289 1.317083 BFGS: 807 17:10:44 14.069548 1.310105 BFGS: 808 17:10:44 13.951717 1.303047 BFGS: 809 17:10:44 13.834797 1.295909 BFGS: 810 17:10:44 13.718791 1.288695 BFGS: 811 17:10:44 13.603698 1.281408 BFGS: 812 17:10:44 13.489519 1.274049 BFGS: 813 17:10:44 13.376254 1.266622 BFGS: 814 17:10:44 13.263879 1.259127 BFGS: 815 17:10:44 13.152276 1.251591 BFGS: 816 17:10:44 13.041444 1.244037 BFGS: 817 17:10:44 12.931397 1.236468 BFGS: 818 17:10:44 12.822144 1.228885 BFGS: 819 17:10:44 12.713694 1.221288 BFGS: 820 17:10:44 12.606051 1.213680 BFGS: 821 17:10:44 12.499220 1.206061 BFGS: 822 17:10:44 12.393205 1.198433 BFGS: 823 17:10:44 12.288007 1.190797 BFGS: 824 17:10:44 12.183628 1.183153 BFGS: 825 17:10:44 12.080066 1.175502 BFGS: 826 17:10:44 11.977322 1.167846 BFGS: 827 17:10:44 11.875393 1.160185 BFGS: 828 17:10:44 11.774279 1.152520 BFGS: 829 17:10:44 11.673977 1.144852 BFGS: 830 17:10:45 11.574463 1.136931 BFGS: 831 17:10:45 11.475797 1.128913 BFGS: 832 17:10:45 11.378008 1.120920 BFGS: 833 17:10:45 11.281061 1.116345 BFGS: 834 17:10:45 11.184929 1.112856 BFGS: 835 17:10:45 11.089588 1.109110 BFGS: 836 17:10:45 10.995017 1.105115 BFGS: 837 17:10:45 10.901198 1.100877 BFGS: 838 17:10:45 10.808118 1.096404 BFGS: 839 17:10:45 10.715761 1.091701 BFGS: 840 17:10:45 10.624119 1.086775 BFGS: 841 17:10:45 10.533180 1.081632 BFGS: 842 17:10:45 10.442937 1.076277 BFGS: 843 17:10:45 10.353382 1.070715 BFGS: 844 17:10:45 10.264510 1.064953 BFGS: 845 17:10:45 10.176314 1.058994 BFGS: 846 17:10:45 10.088792 1.052846 BFGS: 847 17:10:45 10.001938 1.046512 BFGS: 848 17:10:45 9.915750 1.039997 BFGS: 849 17:10:45 9.830224 1.033309 BFGS: 850 17:10:45 9.745358 1.026450 BFGS: 851 17:10:46 9.661150 1.019427 BFGS: 852 17:10:46 9.577598 1.012244 BFGS: 853 17:10:46 9.494700 1.004908 BFGS: 854 17:10:46 9.412456 0.997423 BFGS: 855 17:10:46 9.330863 0.989794 BFGS: 856 17:10:46 9.249920 0.982027 BFGS: 857 17:10:46 9.169627 0.974127 BFGS: 858 17:10:46 9.089984 0.966099 BFGS: 859 17:10:46 9.010988 0.957950 BFGS: 860 17:10:46 8.932639 0.949684 BFGS: 861 17:10:46 8.854938 0.941307 BFGS: 862 17:10:46 8.777882 0.932825 BFGS: 863 17:10:46 8.701473 0.924243 BFGS: 864 17:10:46 8.625708 0.915568 BFGS: 865 17:10:46 8.550588 0.906805 BFGS: 866 17:10:46 8.476112 0.897959 BFGS: 867 17:10:46 8.402272 0.889038 BFGS: 868 17:10:46 8.329041 0.880050 BFGS: 869 17:10:46 8.256416 0.871004 BFGS: 870 17:10:46 8.184395 0.861904 BFGS: 871 17:10:46 8.112978 0.852758 BFGS: 872 17:10:46 8.042163 0.843570 BFGS: 873 17:10:46 7.971950 0.834349 BFGS: 874 17:10:46 7.902339 0.825099 BFGS: 875 17:10:46 7.833327 0.815828 BFGS: 876 17:10:46 7.764915 0.806543 BFGS: 877 17:10:46 7.697103 0.797251 BFGS: 878 17:10:46 7.629889 0.787958 BFGS: 879 17:10:46 7.563272 0.778673 BFGS: 880 17:10:46 7.497253 0.769403 BFGS: 881 17:10:47 7.431831 0.760157 BFGS: 882 17:10:47 7.367005 0.750941 BFGS: 883 17:10:47 7.302775 0.741765 BFGS: 884 17:10:47 7.239139 0.732636 BFGS: 885 17:10:47 7.176098 0.723564 BFGS: 886 17:10:47 7.113651 0.714558 BFGS: 887 17:10:47 7.051797 0.705626 BFGS: 888 17:10:47 6.990535 0.696779 BFGS: 889 17:10:47 6.929865 0.688026 BFGS: 890 17:10:47 6.869785 0.679377 BFGS: 891 17:10:47 6.810296 0.675650 BFGS: 892 17:10:47 6.751396 0.679039 BFGS: 893 17:10:47 6.693084 0.682424 BFGS: 894 17:10:47 6.635359 0.685293 BFGS: 895 17:10:47 6.578204 0.687617 BFGS: 896 17:10:47 6.521617 0.689985 BFGS: 897 17:10:47 6.465601 0.692392 BFGS: 898 17:10:47 6.410157 0.694835 BFGS: 899 17:10:47 6.355288 0.697310 BFGS: 900 17:10:47 6.300994 0.699813 BFGS: 901 17:10:47 6.247277 0.702342 BFGS: 902 17:10:47 6.194137 0.704892 BFGS: 903 17:10:48 6.141574 0.707462 BFGS: 904 17:10:48 6.089590 0.710047 BFGS: 905 17:10:48 6.038184 0.712646 BFGS: 906 17:10:48 5.987355 0.715255 BFGS: 907 17:10:48 5.937104 0.717873 BFGS: 908 17:10:48 5.887429 0.720496 BFGS: 909 17:10:48 5.838331 0.723122 BFGS: 910 17:10:48 5.789808 0.725748 BFGS: 911 17:10:48 5.741859 0.728373 BFGS: 912 17:10:48 5.694484 0.730994 BFGS: 913 17:10:48 5.647680 0.733608 BFGS: 914 17:10:48 5.601448 0.736213 BFGS: 915 17:10:48 5.555784 0.738807 BFGS: 916 17:10:48 5.510689 0.741388 BFGS: 917 17:10:48 5.466160 0.743953 BFGS: 918 17:10:48 5.422183 0.746499 BFGS: 919 17:10:48 5.378789 0.748932 BFGS: 920 17:10:48 5.336000 0.751213 BFGS: 921 17:10:48 5.293796 0.753360 BFGS: 922 17:10:48 5.252161 0.755386 BFGS: 923 17:10:48 5.211079 0.757304 BFGS: 924 17:10:48 5.170539 0.759124 BFGS: 925 17:10:48 5.130527 0.760855 BFGS: 926 17:10:48 5.091035 0.762504 BFGS: 927 17:10:48 5.052053 0.764079 BFGS: 928 17:10:49 5.013573 0.765585 BFGS: 929 17:10:49 4.975588 0.767025 BFGS: 930 17:10:49 4.938091 0.768405 BFGS: 931 17:10:49 4.901076 0.769727 BFGS: 932 17:10:49 4.864537 0.770994 BFGS: 933 17:10:49 4.828468 0.772208 BFGS: 934 17:10:49 4.792866 0.773370 BFGS: 935 17:10:49 4.757724 0.774482 BFGS: 936 17:10:49 4.723039 0.775545 BFGS: 937 17:10:49 4.688807 0.776559 BFGS: 938 17:10:49 4.655022 0.777524 BFGS: 939 17:10:49 4.621683 0.778441 BFGS: 940 17:10:49 4.588784 0.779309 BFGS: 941 17:10:49 4.556321 0.780127 BFGS: 942 17:10:49 4.524293 0.780896 BFGS: 943 17:10:49 4.492694 0.781615 BFGS: 944 17:10:49 4.461521 0.782282 BFGS: 945 17:10:49 4.430772 0.782898 BFGS: 946 17:10:49 4.400442 0.783459 BFGS: 947 17:10:49 4.370529 0.783967 BFGS: 948 17:10:49 4.341029 0.784419 BFGS: 949 17:10:49 4.311938 0.784813 BFGS: 950 17:10:49 4.283255 0.785150 BFGS: 951 17:10:49 4.254972 0.784579 BFGS: 952 17:10:49 4.227028 0.781175 BFGS: 953 17:10:49 4.199432 0.777647 BFGS: 954 17:10:49 4.172176 0.774007 BFGS: 955 17:10:49 4.145250 0.770261 BFGS: 956 17:10:49 4.118633 0.766414 BFGS: 957 17:10:50 4.092318 0.762490 BFGS: 958 17:10:50 4.066300 0.758497 BFGS: 959 17:10:50 4.040574 0.754440 BFGS: 960 17:10:50 4.015139 0.750325 BFGS: 961 17:10:50 3.989989 0.746156 BFGS: 962 17:10:50 3.965095 0.744624 BFGS: 963 17:10:50 3.940305 0.745449 BFGS: 964 17:10:50 3.915593 0.746194 BFGS: 965 17:10:50 3.890958 0.746866 BFGS: 966 17:10:50 3.866398 0.747470 BFGS: 967 17:10:50 3.841912 0.748011 BFGS: 968 17:10:50 3.817497 0.748493 BFGS: 969 17:10:50 3.793154 0.748920 BFGS: 970 17:10:50 3.768880 0.749295 BFGS: 971 17:10:50 3.744675 0.749621 BFGS: 972 17:10:50 3.720538 0.749901 BFGS: 973 17:10:50 3.696469 0.750135 BFGS: 974 17:10:50 3.672467 0.750327 BFGS: 975 17:10:50 3.648532 0.750477 BFGS: 976 17:10:50 3.624663 0.750586 BFGS: 977 17:10:50 3.600860 0.750656 BFGS: 978 17:10:50 3.577124 0.750688 BFGS: 979 17:10:50 3.553454 0.752088 BFGS: 980 17:10:50 3.529850 0.754144 BFGS: 981 17:10:50 3.506312 0.756170 BFGS: 982 17:10:50 3.482841 0.758167 BFGS: 983 17:10:50 3.459436 0.760134 BFGS: 984 17:10:50 3.436098 0.762071 BFGS: 985 17:10:50 3.412828 0.763979 BFGS: 986 17:10:50 3.389626 0.765858 BFGS: 987 17:10:51 3.366492 0.767708 BFGS: 988 17:10:51 3.343426 0.769528 BFGS: 989 17:10:51 3.320431 0.771320 BFGS: 990 17:10:51 3.297505 0.773082 BFGS: 991 17:10:51 3.274649 0.774815 BFGS: 992 17:10:51 3.251865 0.776519 BFGS: 993 17:10:51 3.229153 0.778193 BFGS: 994 17:10:51 3.206514 0.779839 BFGS: 995 17:10:51 3.183949 0.781454 BFGS: 996 17:10:51 3.161458 0.783040 BFGS: 997 17:10:51 3.139042 0.784596 BFGS: 998 17:10:51 3.116703 0.786122 BFGS: 999 17:10:51 3.094442 0.787618 BFGS: 1000 17:10:51 3.072258 0.789084 BFGS: 1001 17:10:51 3.050154 0.790519 BFGS: 1002 17:10:51 3.028131 0.791923 BFGS: 1003 17:10:51 3.006189 0.793297 BFGS: 1004 17:10:51 2.984330 0.794639 BFGS: 1005 17:10:51 2.962555 0.795949 BFGS: 1006 17:10:51 2.940865 0.797228 BFGS: 1007 17:10:51 2.919261 0.798475 BFGS: 1008 17:10:51 2.897745 0.799690 BFGS: 1009 17:10:51 2.876324 0.800872 BFGS: 1010 17:10:51 2.855022 0.802037 BFGS: 1011 17:10:51 2.833828 0.803437 BFGS: 1012 17:10:51 2.812622 0.805316 BFGS: 1013 17:10:51 2.791379 0.807381 BFGS: 1014 17:10:51 2.770103 0.809605 BFGS: 1015 17:10:51 2.748801 0.811964 BFGS: 1016 17:10:51 2.727477 0.814438 BFGS: 1017 17:10:51 2.706135 0.817011 BFGS: 1018 17:10:51 2.684780 0.819667 BFGS: 1019 17:10:52 2.663416 0.822393 BFGS: 1020 17:10:52 2.642047 0.825178 BFGS: 1021 17:10:52 2.620678 0.828010 BFGS: 1022 17:10:52 2.599312 0.830881 BFGS: 1023 17:10:52 2.577953 0.833782 BFGS: 1024 17:10:52 2.556606 0.836704 BFGS: 1025 17:10:52 2.535273 0.839641 BFGS: 1026 17:10:52 2.513959 0.842586 BFGS: 1027 17:10:52 2.492668 0.845533 BFGS: 1028 17:10:52 2.471402 0.848476 BFGS: 1029 17:10:52 2.450165 0.851409 BFGS: 1030 17:10:52 2.428962 0.854329 BFGS: 1031 17:10:52 2.407794 0.857230 BFGS: 1032 17:10:52 2.386667 0.860108 BFGS: 1033 17:10:52 2.365583 0.862959 BFGS: 1034 17:10:52 2.344545 0.865780 BFGS: 1035 17:10:52 2.323558 0.868566 BFGS: 1036 17:10:52 2.302624 0.871315 BFGS: 1037 17:10:52 2.281747 0.874022 BFGS: 1038 17:10:52 2.260930 0.876686 BFGS: 1039 17:10:52 2.240176 0.879302 BFGS: 1040 17:10:52 2.219489 0.881869 BFGS: 1041 17:10:52 2.198873 0.884383 BFGS: 1042 17:10:52 2.178330 0.886842 BFGS: 1043 17:10:52 2.157864 0.889244 BFGS: 1044 17:10:52 2.137478 0.891585 BFGS: 1045 17:10:52 2.117175 0.893863 BFGS: 1046 17:10:52 2.096960 0.896077 BFGS: 1047 17:10:52 2.076835 0.898223 BFGS: 1048 17:10:53 2.056803 0.900300 BFGS: 1049 17:10:53 2.036868 0.902306 BFGS: 1050 17:10:53 2.017033 0.904237 BFGS: 1051 17:10:53 1.997302 0.906093 BFGS: 1052 17:10:53 1.977678 0.907871 BFGS: 1053 17:10:53 1.958156 0.908590 BFGS: 1054 17:10:53 1.938708 0.904472 BFGS: 1055 17:10:53 1.919379 0.900331 BFGS: 1056 17:10:53 1.900171 0.896167 BFGS: 1057 17:10:53 1.881083 0.891979 BFGS: 1058 17:10:53 1.862116 0.887767 BFGS: 1059 17:10:53 1.843269 0.883531 BFGS: 1060 17:10:53 1.824544 0.879270 BFGS: 1061 17:10:53 1.805939 0.874984 BFGS: 1062 17:10:53 1.787456 0.870673 BFGS: 1063 17:10:53 1.769095 0.866337 BFGS: 1064 17:10:53 1.750854 0.861975 BFGS: 1065 17:10:53 1.732736 0.857588 BFGS: 1066 17:10:53 1.714739 0.853176 BFGS: 1067 17:10:53 1.696865 0.848738 BFGS: 1068 17:10:53 1.679112 0.844275 BFGS: 1069 17:10:53 1.661482 0.839787 BFGS: 1070 17:10:53 1.643974 0.835273 BFGS: 1071 17:10:53 1.626589 0.830734 BFGS: 1072 17:10:53 1.609326 0.826170 BFGS: 1073 17:10:53 1.592185 0.821581 BFGS: 1074 17:10:53 1.575168 0.816967 BFGS: 1075 17:10:53 1.558273 0.812329 BFGS: 1076 17:10:53 1.541501 0.807665 BFGS: 1077 17:10:53 1.524852 0.802978 BFGS: 1078 17:10:53 1.508327 0.798266 BFGS: 1079 17:10:54 1.491924 0.793530 BFGS: 1080 17:10:54 1.475645 0.788770 BFGS: 1081 17:10:54 1.459489 0.783987 BFGS: 1082 17:10:54 1.443456 0.779180 BFGS: 1083 17:10:54 1.427547 0.774349 BFGS: 1084 17:10:54 1.411762 0.769496 BFGS: 1085 17:10:54 1.396100 0.764619 BFGS: 1086 17:10:54 1.380561 0.759720 BFGS: 1087 17:10:54 1.365147 0.754798 BFGS: 1088 17:10:54 1.349856 0.749854 BFGS: 1089 17:10:54 1.334689 0.744888 BFGS: 1090 17:10:54 1.319645 0.739900 BFGS: 1091 17:10:54 1.304725 0.734890 BFGS: 1092 17:10:54 1.289930 0.729858 BFGS: 1093 17:10:54 1.275258 0.724195 BFGS: 1094 17:10:54 1.260744 0.714907 BFGS: 1095 17:10:54 1.246410 0.705612 BFGS: 1096 17:10:54 1.232255 0.696312 BFGS: 1097 17:10:54 1.218277 0.687007 BFGS: 1098 17:10:54 1.204475 0.677701 BFGS: 1099 17:10:54 1.190847 0.668395 BFGS: 1100 17:10:54 1.177391 0.659092 BFGS: 1101 17:10:54 1.164105 0.649792 BFGS: 1102 17:10:54 1.150989 0.640499 BFGS: 1103 17:10:54 1.138041 0.631213 BFGS: 1104 17:10:54 1.125259 0.621938 BFGS: 1105 17:10:54 1.112642 0.612675 BFGS: 1106 17:10:55 1.100188 0.603427 BFGS: 1107 17:10:55 1.087896 0.594195 BFGS: 1108 17:10:55 1.075764 0.584982 BFGS: 1109 17:10:55 1.063791 0.575790 BFGS: 1110 17:10:55 1.051975 0.566622 BFGS: 1111 17:10:55 1.040315 0.557479 BFGS: 1112 17:10:55 1.028809 0.548364 BFGS: 1113 17:10:55 1.017455 0.539279 BFGS: 1114 17:10:55 1.006253 0.530227 BFGS: 1115 17:10:55 0.995200 0.521211 BFGS: 1116 17:10:55 0.984295 0.512232 BFGS: 1117 17:10:55 0.973534 0.503293 BFGS: 1118 17:10:55 0.962897 0.494398 BFGS: 1119 17:10:55 0.952371 0.485550 BFGS: 1120 17:10:55 0.941956 0.476752 BFGS: 1121 17:10:55 0.931649 0.468007 BFGS: 1122 17:10:55 0.921449 0.459317 BFGS: 1123 17:10:55 0.911355 0.450687 BFGS: 1124 17:10:55 0.901363 0.442118 BFGS: 1125 17:10:55 0.891474 0.433615 BFGS: 1126 17:10:55 0.881684 0.425181 BFGS: 1127 17:10:55 0.871991 0.416820 BFGS: 1128 17:10:55 0.862395 0.408533 BFGS: 1129 17:10:55 0.852894 0.401125 BFGS: 1130 17:10:55 0.843486 0.403611 BFGS: 1131 17:10:55 0.834205 0.404184 BFGS: 1132 17:10:55 0.825067 0.404661 BFGS: 1133 17:10:55 0.816068 0.405041 BFGS: 1134 17:10:55 0.807205 0.405324 BFGS: 1135 17:10:55 0.798475 0.405510 BFGS: 1136 17:10:55 0.789874 0.405600 BFGS: 1137 17:10:55 0.781399 0.405593 BFGS: 1138 17:10:55 0.773048 0.405490 BFGS: 1139 17:10:55 0.764817 0.405291 BFGS: 1140 17:10:55 0.756704 0.404995 BFGS: 1141 17:10:55 0.748704 0.404602 BFGS: 1142 17:10:55 0.740816 0.404113 BFGS: 1143 17:10:55 0.733035 0.403527 BFGS: 1144 17:10:55 0.725359 0.402844 BFGS: 1145 17:10:55 0.717786 0.402064 BFGS: 1146 17:10:55 0.710312 0.401188 BFGS: 1147 17:10:55 0.702934 0.400215 BFGS: 1148 17:10:55 0.695649 0.399144 BFGS: 1149 17:10:55 0.688455 0.397977 BFGS: 1150 17:10:55 0.681349 0.396712 BFGS: 1151 17:10:55 0.674328 0.395351 BFGS: 1152 17:10:55 0.667389 0.393892 BFGS: 1153 17:10:55 0.660530 0.392336 BFGS: 1154 17:10:55 0.653748 0.390682 BFGS: 1155 17:10:55 0.647041 0.388932 BFGS: 1156 17:10:55 0.640405 0.387084 BFGS: 1157 17:10:56 0.633839 0.385140 BFGS: 1158 17:10:56 0.627340 0.383098 BFGS: 1159 17:10:56 0.620906 0.380959 BFGS: 1160 17:10:56 0.614535 0.378723 BFGS: 1161 17:10:56 0.608223 0.376391 BFGS: 1162 17:10:56 0.601970 0.373962 BFGS: 1163 17:10:56 0.595772 0.371436 BFGS: 1164 17:10:56 0.589628 0.368815 BFGS: 1165 17:10:56 0.583554 0.366092 BFGS: 1166 17:10:56 0.577582 0.363196 BFGS: 1167 17:10:56 0.571712 0.360128 BFGS: 1168 17:10:56 0.565932 0.354104 BFGS: 1169 17:10:56 0.560252 0.347456 BFGS: 1170 17:10:56 0.554676 0.340793 BFGS: 1171 17:10:56 0.549202 0.334114 BFGS: 1172 17:10:56 0.543830 0.327419 BFGS: 1173 17:10:56 0.538559 0.320709 BFGS: 1174 17:10:56 0.533388 0.313982 BFGS: 1175 17:10:56 0.528316 0.307240 BFGS: 1176 17:10:56 0.523342 0.300482 BFGS: 1177 17:10:56 0.518465 0.293709 BFGS: 1178 17:10:56 0.513684 0.286920 BFGS: 1179 17:10:56 0.508997 0.280117 BFGS: 1180 17:10:56 0.504403 0.273299 BFGS: 1181 17:10:56 0.499901 0.266467 BFGS: 1182 17:10:56 0.495490 0.259622 BFGS: 1183 17:10:56 0.491169 0.252765 BFGS: 1184 17:10:56 0.486935 0.245896 BFGS: 1185 17:10:56 0.482788 0.239016 BFGS: 1186 17:10:57 0.478725 0.232128 BFGS: 1187 17:10:57 0.474746 0.225231 BFGS: 1188 17:10:57 0.470848 0.218329 BFGS: 1189 17:10:57 0.467030 0.218046 BFGS: 1190 17:10:57 0.463289 0.219784 BFGS: 1191 17:10:57 0.459625 0.221571 BFGS: 1192 17:10:57 0.456034 0.223404 BFGS: 1193 17:10:57 0.452515 0.225280 BFGS: 1194 17:10:57 0.449066 0.227197 BFGS: 1195 17:10:57 0.445684 0.229018 BFGS: 1196 17:10:57 0.442345 0.227146 BFGS: 1197 17:10:57 0.439071 0.226867 BFGS: 1198 17:10:57 0.435856 0.232313 BFGS: 1199 17:10:57 0.432694 0.237627 BFGS: 1200 17:10:57 0.429580 0.242814 BFGS: 1201 17:10:57 0.426511 0.247876 BFGS: 1202 17:10:57 0.423482 0.252817 BFGS: 1203 17:10:57 0.420490 0.257642 BFGS: 1204 17:10:57 0.417532 0.262353 BFGS: 1205 17:10:57 0.414605 0.266954 BFGS: 1206 17:10:57 0.411705 0.271446 BFGS: 1207 17:10:57 0.408832 0.275835 BFGS: 1208 17:10:57 0.405981 0.280121 BFGS: 1209 17:10:57 0.403152 0.284308 BFGS: 1210 17:10:57 0.400343 0.288397 BFGS: 1211 17:10:57 0.397551 0.292391 BFGS: 1212 17:10:57 0.394776 0.296292 BFGS: 1213 17:10:57 0.392015 0.300101 BFGS: 1214 17:10:57 0.389267 0.303820 BFGS: 1215 17:10:57 0.386532 0.307451 BFGS: 1216 17:10:57 0.383807 0.310993 BFGS: 1217 17:10:57 0.381091 0.314449 BFGS: 1218 17:10:57 0.378385 0.317818 BFGS: 1219 17:10:57 0.375685 0.321102 BFGS: 1220 17:10:57 0.372992 0.324301 BFGS: 1221 17:10:57 0.370303 0.327415 BFGS: 1222 17:10:57 0.367620 0.330445 BFGS: 1223 17:10:57 0.364939 0.333389 BFGS: 1224 17:10:57 0.362262 0.336248 BFGS: 1225 17:10:57 0.359585 0.339021 BFGS: 1226 17:10:57 0.356910 0.341707 BFGS: 1227 17:10:57 0.354234 0.344306 BFGS: 1228 17:10:57 0.351557 0.346817 BFGS: 1229 17:10:57 0.348877 0.349237 BFGS: 1230 17:10:57 0.346195 0.351567 BFGS: 1231 17:10:58 0.343510 0.353803 BFGS: 1232 17:10:58 0.340819 0.355945 BFGS: 1233 17:10:58 0.338123 0.357990 BFGS: 1234 17:10:58 0.335420 0.359935 BFGS: 1235 17:10:58 0.332709 0.361779 BFGS: 1236 17:10:58 0.329990 0.363518 BFGS: 1237 17:10:58 0.327262 0.365150 BFGS: 1238 17:10:58 0.324523 0.366672 BFGS: 1239 17:10:58 0.321773 0.368079 BFGS: 1240 17:10:58 0.319010 0.369368 BFGS: 1241 17:10:58 0.316234 0.370535 BFGS: 1242 17:10:58 0.313443 0.371576 BFGS: 1243 17:10:58 0.310637 0.372485 BFGS: 1244 17:10:58 0.307813 0.373259 BFGS: 1245 17:10:58 0.304972 0.373891 BFGS: 1246 17:10:58 0.302112 0.374377 BFGS: 1247 17:10:58 0.299232 0.374709 BFGS: 1248 17:10:58 0.296331 0.374881 BFGS: 1249 17:10:58 0.293404 0.375061 BFGS: 1250 17:10:58 0.290438 0.375456 BFGS: 1251 17:10:58 0.287478 0.375773 BFGS: 1252 17:10:58 0.284525 0.376014 BFGS: 1253 17:10:58 0.281581 0.376179 BFGS: 1254 17:10:58 0.278644 0.376266 BFGS: 1255 17:10:58 0.275715 0.376277 BFGS: 1256 17:10:58 0.272795 0.376211 BFGS: 1257 17:10:58 0.269903 0.376304 BFGS: 1258 17:10:58 0.267008 0.376346 BFGS: 1259 17:10:58 0.264090 0.376230 BFGS: 1260 17:10:59 0.261147 0.375952 BFGS: 1261 17:10:59 0.258180 0.375508 BFGS: 1262 17:10:59 0.255188 0.374893 BFGS: 1263 17:10:59 0.252172 0.374102 BFGS: 1264 17:10:59 0.249131 0.373130 BFGS: 1265 17:10:59 0.246065 0.371969 BFGS: 1266 17:10:59 0.242975 0.370612 BFGS: 1267 17:10:59 0.239861 0.369051 BFGS: 1268 17:10:59 0.236723 0.367276 BFGS: 1269 17:10:59 0.233562 0.365276 BFGS: 1270 17:10:59 0.230378 0.363038 BFGS: 1271 17:10:59 0.227172 0.360548 BFGS: 1272 17:10:59 0.223946 0.357789 BFGS: 1273 17:10:59 0.220700 0.354740 BFGS: 1274 17:10:59 0.217437 0.351377 BFGS: 1275 17:10:59 0.214157 0.347672 BFGS: 1276 17:10:59 0.210865 0.343589 BFGS: 1277 17:10:59 0.207562 0.339086 BFGS: 1278 17:10:59 0.204253 0.334107 BFGS: 1279 17:10:59 0.200942 0.328584 BFGS: 1280 17:10:59 0.197636 0.322424 BFGS: 1281 17:10:59 0.194341 0.315498 BFGS: 1282 17:10:59 0.191068 0.307617 BFGS: 1283 17:10:59 0.187762 0.298481 BFGS: 1284 17:10:59 0.184648 0.289151 BFGS: 1285 17:10:59 0.181827 0.279894 BFGS: 1286 17:10:59 0.179352 0.270761 BFGS: 1287 17:10:59 0.177296 0.261792 BFGS: 1288 17:10:59 0.175832 0.253270 BFGS: 1289 17:10:59 0.175188 0.249691 BFGS: 1290 17:10:59 0.173725 0.243898 BFGS: 1291 17:10:59 0.172616 0.240794 BFGS: 1292 17:10:59 0.171578 0.238240 BFGS: 1293 17:10:59 0.170563 0.235815 BFGS: 1294 17:10:59 0.169566 0.233408 BFGS: 1295 17:11:00 0.168588 0.230983 BFGS: 1296 17:11:00 0.167629 0.228529 BFGS: 1297 17:11:00 0.166690 0.226042 BFGS: 1298 17:11:00 0.165771 0.223520 BFGS: 1299 17:11:00 0.164867 0.220962 BFGS: 1300 17:11:00 0.163975 0.218367 BFGS: 1301 17:11:00 0.163090 0.215730 BFGS: 1302 17:11:00 0.162205 0.213050 BFGS: 1303 17:11:00 0.161312 0.210320 BFGS: 1304 17:11:00 0.160438 0.207569 BFGS: 1305 17:11:00 0.159458 0.205031 BFGS: 1306 17:11:00 0.158282 0.202770 BFGS: 1307 17:11:00 0.156754 0.200915 BFGS: 1308 17:11:00 0.154561 0.199759 BFGS: 1309 17:11:00 0.150799 0.200299 BFGS: 1310 17:11:00 0.146128 0.204244 BFGS: 1311 17:11:00 0.142998 0.208132 BFGS: 1312 17:11:00 0.140169 0.211882 BFGS: 1313 17:11:00 0.137435 0.215485 BFGS: 1314 17:11:00 0.134738 0.218940 BFGS: 1315 17:11:00 0.132074 0.222224 BFGS: 1316 17:11:00 0.129443 0.225325 BFGS: 1317 17:11:00 0.126834 0.228253 BFGS: 1318 17:11:00 0.124238 0.231013 BFGS: 1319 17:11:00 0.121653 0.233609 BFGS: 1320 17:11:00 0.119074 0.236043 BFGS: 1321 17:11:00 0.116500 0.238319 BFGS: 1322 17:11:00 0.113932 0.240438 BFGS: 1323 17:11:00 0.111367 0.242402 BFGS: 1324 17:11:01 0.108807 0.244213 BFGS: 1325 17:11:01 0.106252 0.245872 BFGS: 1326 17:11:01 0.103703 0.247381 BFGS: 1327 17:11:01 0.101159 0.248742 BFGS: 1328 17:11:01 0.098623 0.249957 BFGS: 1329 17:11:01 0.096095 0.251026 BFGS: 1330 17:11:01 0.093576 0.251953 BFGS: 1331 17:11:01 0.091067 0.252738 BFGS: 1332 17:11:01 0.088569 0.253383 BFGS: 1333 17:11:01 0.086085 0.253888 BFGS: 1334 17:11:01 0.083614 0.254256 BFGS: 1335 17:11:01 0.081158 0.254488 BFGS: 1336 17:11:01 0.078720 0.254584 BFGS: 1337 17:11:01 0.076299 0.254546 BFGS: 1338 17:11:01 0.073898 0.254375 BFGS: 1339 17:11:01 0.071517 0.254071 BFGS: 1340 17:11:01 0.069159 0.253635 BFGS: 1341 17:11:01 0.066825 0.253068 BFGS: 1342 17:11:01 0.064516 0.252371 BFGS: 1343 17:11:01 0.062235 0.251542 BFGS: 1344 17:11:01 0.059981 0.250584 BFGS: 1345 17:11:01 0.057758 0.249496 BFGS: 1346 17:11:01 0.055566 0.248278 BFGS: 1347 17:11:01 0.053407 0.246930 BFGS: 1348 17:11:01 0.051283 0.245452 BFGS: 1349 17:11:01 0.049195 0.243843 BFGS: 1350 17:11:01 0.047145 0.242104 BFGS: 1351 17:11:01 0.045138 0.240234 BFGS: 1352 17:11:01 0.043174 0.238235 BFGS: 1353 17:11:01 0.041255 0.236104 BFGS: 1354 17:11:01 0.039383 0.233842 BFGS: 1355 17:11:01 0.037559 0.231446 BFGS: 1356 17:11:01 0.035784 0.228915 BFGS: 1357 17:11:01 0.034059 0.226248 BFGS: 1358 17:11:01 0.032388 0.223442 BFGS: 1359 17:11:01 0.030763 0.219251 BFGS: 1360 17:11:01 0.029195 0.214650 BFGS: 1361 17:11:01 0.027679 0.209868 BFGS: 1362 17:11:01 0.026213 0.204936 BFGS: 1363 17:11:01 0.024793 0.199882 BFGS: 1364 17:11:01 0.023420 0.194726 BFGS: 1365 17:11:01 0.022093 0.189487 BFGS: 1366 17:11:01 0.020811 0.184180 BFGS: 1367 17:11:01 0.019573 0.178817 BFGS: 1368 17:11:01 0.018381 0.173408 BFGS: 1369 17:11:01 0.017233 0.167962 BFGS: 1370 17:11:01 0.016131 0.162486 BFGS: 1371 17:11:01 0.015073 0.156985 BFGS: 1372 17:11:01 0.014061 0.151465 BFGS: 1373 17:11:01 0.013093 0.145929 BFGS: 1374 17:11:01 0.012171 0.140380 BFGS: 1375 17:11:01 0.011294 0.134821 BFGS: 1376 17:11:01 0.010463 0.129253 BFGS: 1377 17:11:01 0.009677 0.123677 BFGS: 1378 17:11:01 0.008936 0.118096 BFGS: 1379 17:11:01 0.008242 0.112508 BFGS: 1380 17:11:01 0.007593 0.106915 BFGS: 1381 17:11:01 0.006990 0.101521 BFGS: 1382 17:11:01 0.006421 0.097170 BFGS: 1383 17:11:01 0.005879 0.092962 BFGS: 1384 17:11:01 0.005359 0.088844 BFGS: 1385 17:11:02 0.004859 0.084778 BFGS: 1386 17:11:02 0.004378 0.080732 BFGS: 1387 17:11:02 0.003917 0.076685 BFGS: 1388 17:11:02 0.003476 0.072615 BFGS: 1389 17:11:02 0.003057 0.068506 BFGS: 1390 17:11:02 0.002659 0.064343 BFGS: 1391 17:11:02 0.002285 0.060115 BFGS: 1392 17:11:02 0.001936 0.055808 BFGS: 1393 17:11:02 0.001612 0.051411 BFGS: 1394 17:11:02 0.001316 0.046911 BFGS: 1395 17:11:02 0.001047 0.042295 BFGS: 1396 17:11:02 0.000806 0.037553 BFGS: 1397 17:11:02 0.000595 0.032684 BFGS: 1398 17:11:02 0.000415 0.027682 BFGS: 1399 17:11:02 0.000266 0.022540 BFGS: 1400 17:11:02 0.000150 0.017241 BFGS: 1401 17:11:02 0.000067 0.011755 BFGS: 1402 17:11:02 0.000017 0.006012 BFGS: 1403 17:11:02 0.000000 0.000348 BFGS: 1404 17:11:02 0.000000 0.000017 BFGS: 1405 17:11:02 0.000000 0.000000 Minimization converged after 1405 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 = [[0.28299055 0.25 0.25468873] [0.21700945 0.75 0.75468873] [0.71700945 0.75 0.74531127] [0.78299055 0.25 0.24531127] [0.49108232 0.25 0.65257602] [0.00891768 0.75 0.15257602] [0.50891768 0.75 0.34742398] [0.99108232 0.25 0.84742398] [0.62491476 0.25 0.18824337] [0.87508524 0.75 0.68824337] [0.37508524 0.75 0.81175663] [0.12491476 0.25 0.31175663] [0.95188508 0.25 0.41771817] [0.54811492 0.75 0.91771817] [0.04811492 0.75 0.58228183] [0.45188508 0.25 0.08228183]] cellpar = Cell([[46.12464483131717, -1.5320917537734595e-34, 0.0], [7.548382555275207e-36, 10.258768143636306, 0.0], [0.0, 0.0, 17.19929459492026]]) 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