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 09:44:47 2052.709861 211.272256 BFGS: 1 09:44:47 2018.549159 205.275221 BFGS: 2 09:44:47 1988.429495 202.233839 BFGS: 3 09:44:47 1964.025297 198.132320 BFGS: 4 09:44:47 1937.549725 195.478443 BFGS: 5 09:44:47 1911.351742 189.865543 BFGS: 6 09:44:47 1886.056773 186.885877 BFGS: 7 09:44:47 1860.436599 183.317166 BFGS: 8 09:44:47 1834.621340 178.726082 BFGS: 9 09:44:47 1810.897746 176.006444 BFGS: 10 09:44:47 1787.808425 172.883394 BFGS: 11 09:44:47 1765.149498 169.858792 BFGS: 12 09:44:47 1743.093745 166.861130 BFGS: 13 09:44:47 1721.574053 163.859941 BFGS: 14 09:44:47 1700.330170 160.835778 BFGS: 15 09:44:47 1679.068940 157.852959 BFGS: 16 09:44:47 1658.064914 155.063189 BFGS: 17 09:44:47 1637.176891 152.345107 BFGS: 18 09:44:47 1616.763260 149.721152 BFGS: 19 09:44:47 1596.917138 147.191095 BFGS: 20 09:44:47 1577.579890 144.739645 BFGS: 21 09:44:47 1558.692889 142.355662 BFGS: 22 09:44:47 1540.224153 140.034886 BFGS: 23 09:44:47 1522.154148 137.779292 BFGS: 24 09:44:47 1504.454239 135.587197 BFGS: 25 09:44:47 1487.083730 133.445435 BFGS: 26 09:44:47 1470.025316 131.350049 BFGS: 27 09:44:47 1453.287649 129.302258 BFGS: 28 09:44:47 1436.864794 127.300738 BFGS: 29 09:44:47 1420.761274 125.347110 BFGS: 30 09:44:47 1404.973500 123.436553 BFGS: 31 09:44:47 1389.484642 121.570060 BFGS: 32 09:44:47 1374.290337 119.744692 BFGS: 33 09:44:47 1359.379925 117.959533 BFGS: 34 09:44:47 1344.744389 116.219780 BFGS: 35 09:44:47 1330.393298 114.519268 BFGS: 36 09:44:47 1316.325992 112.857451 BFGS: 37 09:44:47 1302.532456 111.231904 BFGS: 38 09:44:47 1288.999529 109.640071 BFGS: 39 09:44:47 1275.714375 108.080375 BFGS: 40 09:44:47 1262.662725 106.552691 BFGS: 41 09:44:47 1249.832529 105.056643 BFGS: 42 09:44:47 1237.217779 103.588424 BFGS: 43 09:44:47 1224.807191 102.146836 BFGS: 44 09:44:47 1212.587394 100.730233 BFGS: 45 09:44:47 1200.550942 99.337468 BFGS: 46 09:44:47 1188.686046 97.971568 BFGS: 47 09:44:47 1176.976097 96.629677 BFGS: 48 09:44:47 1165.410035 95.313013 BFGS: 49 09:44:47 1153.969109 94.013311 BFGS: 50 09:44:47 1142.646134 92.734509 BFGS: 51 09:44:47 1131.436585 91.471937 BFGS: 52 09:44:47 1120.328909 90.231399 BFGS: 53 09:44:47 1109.310337 89.008371 BFGS: 54 09:44:47 1098.366251 87.797124 BFGS: 55 09:44:47 1087.482472 86.599199 BFGS: 56 09:44:47 1076.639801 85.409199 BFGS: 57 09:44:47 1065.830233 84.227052 BFGS: 58 09:44:47 1055.169567 83.064552 BFGS: 59 09:44:47 1044.684437 81.926460 BFGS: 60 09:44:47 1034.366762 80.808780 BFGS: 61 09:44:47 1024.205649 79.713330 BFGS: 62 09:44:47 1014.200549 78.641250 BFGS: 63 09:44:47 1004.354455 77.591862 BFGS: 64 09:44:47 994.659368 76.561073 BFGS: 65 09:44:47 985.108252 75.549770 BFGS: 66 09:44:47 975.697134 74.556874 BFGS: 67 09:44:47 966.418499 73.580680 BFGS: 68 09:44:47 957.266884 72.621316 BFGS: 69 09:44:47 948.238795 71.676468 BFGS: 70 09:44:47 939.326897 70.745248 BFGS: 71 09:44:47 930.524376 69.826831 BFGS: 72 09:44:47 921.824324 68.924783 BFGS: 73 09:44:47 913.224123 68.035641 BFGS: 74 09:44:47 904.717007 67.157890 BFGS: 75 09:44:47 896.296024 66.290915 BFGS: 76 09:44:47 887.954256 65.434563 BFGS: 77 09:44:47 879.684643 64.588814 BFGS: 78 09:44:47 871.479279 63.750740 BFGS: 79 09:44:47 863.329674 62.921488 BFGS: 80 09:44:47 855.230851 62.144140 BFGS: 81 09:44:47 847.175283 61.378818 BFGS: 82 09:44:47 839.154732 60.614978 BFGS: 83 09:44:47 831.159062 59.852820 BFGS: 84 09:44:47 823.173372 59.088415 BFGS: 85 09:44:47 815.185603 58.319530 BFGS: 86 09:44:47 807.183480 57.543223 BFGS: 87 09:44:47 799.153488 56.757201 BFGS: 88 09:44:47 791.082130 55.961803 BFGS: 89 09:44:47 782.952189 55.152734 BFGS: 90 09:44:47 774.747351 54.326700 BFGS: 91 09:44:47 766.451734 53.482484 BFGS: 92 09:44:47 758.055964 52.667302 BFGS: 93 09:44:47 749.550026 51.953616 BFGS: 94 09:44:47 740.918522 51.244506 BFGS: 95 09:44:47 732.149768 50.537819 BFGS: 96 09:44:47 723.569489 49.858565 BFGS: 97 09:44:47 715.569096 49.236051 BFGS: 98 09:44:47 708.122253 48.664406 BFGS: 99 09:44:47 701.186525 48.136809 BFGS: 100 09:44:47 694.709430 47.647868 BFGS: 101 09:44:47 688.634184 47.194885 BFGS: 102 09:44:47 682.908306 46.768650 BFGS: 103 09:44:47 677.478296 46.367116 BFGS: 104 09:44:47 672.300748 45.983571 BFGS: 105 09:44:47 667.336334 45.613965 BFGS: 106 09:44:47 662.551038 45.255995 BFGS: 107 09:44:47 657.916401 44.906967 BFGS: 108 09:44:47 653.408914 44.563998 BFGS: 109 09:44:47 649.009567 44.225488 BFGS: 110 09:44:48 644.702469 43.891971 BFGS: 111 09:44:48 640.475192 43.561389 BFGS: 112 09:44:48 636.316121 43.231960 BFGS: 113 09:44:48 632.215856 42.902955 BFGS: 114 09:44:48 628.166539 42.574357 BFGS: 115 09:44:48 624.161544 42.245494 BFGS: 116 09:44:48 620.195035 41.915856 BFGS: 117 09:44:48 616.261147 41.592623 BFGS: 118 09:44:48 612.359238 41.282437 BFGS: 119 09:44:48 608.492049 40.972977 BFGS: 120 09:44:48 604.656042 40.661585 BFGS: 121 09:44:48 600.848933 40.350396 BFGS: 122 09:44:48 597.068214 40.037606 BFGS: 123 09:44:48 593.311291 39.722437 BFGS: 124 09:44:48 589.577003 39.404965 BFGS: 125 09:44:48 585.861985 39.088967 BFGS: 126 09:44:48 582.166874 38.774241 BFGS: 127 09:44:48 578.493336 38.453885 BFGS: 128 09:44:48 574.841049 38.128531 BFGS: 129 09:44:48 571.209773 37.799997 BFGS: 130 09:44:48 567.600037 37.465142 BFGS: 131 09:44:48 564.011156 37.121854 BFGS: 132 09:44:48 560.441922 36.772400 BFGS: 133 09:44:48 556.890494 36.413924 BFGS: 134 09:44:48 553.353632 36.047145 BFGS: 135 09:44:48 549.826904 35.669250 BFGS: 136 09:44:48 546.304403 35.283473 BFGS: 137 09:44:48 542.779795 34.889396 BFGS: 138 09:44:48 539.244173 34.484392 BFGS: 139 09:44:48 535.685814 34.068461 BFGS: 140 09:44:48 532.092108 33.642278 BFGS: 141 09:44:48 528.450283 33.211011 BFGS: 142 09:44:48 524.750852 32.772890 BFGS: 143 09:44:48 520.984652 32.328605 BFGS: 144 09:44:48 517.405692 31.911486 BFGS: 145 09:44:48 513.970991 31.699450 BFGS: 146 09:44:48 510.628245 31.488060 BFGS: 147 09:44:48 507.351385 31.274140 BFGS: 148 09:44:48 504.073752 31.051662 BFGS: 149 09:44:48 500.745639 30.819907 BFGS: 150 09:44:48 497.331183 30.577091 BFGS: 151 09:44:48 493.806697 30.320490 BFGS: 152 09:44:48 490.149957 30.047496 BFGS: 153 09:44:48 486.355092 29.756655 BFGS: 154 09:44:48 482.451448 29.450761 BFGS: 155 09:44:48 478.570566 29.140930 BFGS: 156 09:44:48 474.810699 28.836290 BFGS: 157 09:44:48 471.179150 28.539470 BFGS: 158 09:44:48 467.677478 28.255488 BFGS: 159 09:44:48 464.299111 27.980057 BFGS: 160 09:44:48 461.037765 27.718345 BFGS: 161 09:44:48 457.890702 27.493577 BFGS: 162 09:44:48 454.847881 27.277907 BFGS: 163 09:44:48 451.899169 27.069381 BFGS: 164 09:44:48 449.035789 26.867550 BFGS: 165 09:44:48 446.250317 26.671186 BFGS: 166 09:44:48 443.535182 26.479499 BFGS: 167 09:44:48 440.883527 26.291840 BFGS: 168 09:44:48 438.289251 26.107698 BFGS: 169 09:44:48 435.747077 25.926650 BFGS: 170 09:44:48 433.252482 25.748353 BFGS: 171 09:44:48 430.801593 25.573373 BFGS: 172 09:44:48 428.390634 25.401968 BFGS: 173 09:44:48 426.019066 25.232814 BFGS: 174 09:44:48 423.684670 25.065777 BFGS: 175 09:44:48 421.385129 24.900738 BFGS: 176 09:44:48 419.118483 24.737602 BFGS: 177 09:44:48 416.883043 24.576321 BFGS: 178 09:44:48 414.676934 24.417535 BFGS: 179 09:44:48 412.498689 24.261678 BFGS: 180 09:44:48 410.345942 24.109900 BFGS: 181 09:44:48 408.216369 23.959486 BFGS: 182 09:44:48 406.109400 23.810470 BFGS: 183 09:44:48 404.024490 23.662946 BFGS: 184 09:44:48 401.961315 23.516990 BFGS: 185 09:44:48 399.919676 23.372627 BFGS: 186 09:44:48 397.899118 23.229857 BFGS: 187 09:44:48 395.899129 23.088775 BFGS: 188 09:44:48 393.919200 22.949494 BFGS: 189 09:44:48 391.958836 22.812108 BFGS: 190 09:44:48 390.017484 22.677624 BFGS: 191 09:44:48 388.094599 22.544810 BFGS: 192 09:44:48 386.189795 22.413697 BFGS: 193 09:44:48 384.302415 22.284289 BFGS: 194 09:44:48 382.431786 22.156530 BFGS: 195 09:44:48 380.577476 22.030440 BFGS: 196 09:44:48 378.739082 21.906031 BFGS: 197 09:44:48 376.916198 21.783309 BFGS: 198 09:44:48 375.108413 21.662279 BFGS: 199 09:44:48 373.315317 21.542941 BFGS: 200 09:44:48 371.536487 21.425310 BFGS: 201 09:44:48 369.771531 21.309395 BFGS: 202 09:44:48 368.020118 21.195177 BFGS: 203 09:44:48 366.281703 21.082638 BFGS: 204 09:44:48 364.555735 20.971738 BFGS: 205 09:44:48 362.841697 20.862573 BFGS: 206 09:44:48 361.138946 20.755121 BFGS: 207 09:44:48 359.446847 20.649207 BFGS: 208 09:44:48 357.764897 20.545106 BFGS: 209 09:44:48 356.092543 20.445374 BFGS: 210 09:44:48 354.428688 20.347068 BFGS: 211 09:44:48 352.772739 20.250045 BFGS: 212 09:44:48 351.124145 20.154436 BFGS: 213 09:44:48 349.482175 20.061285 BFGS: 214 09:44:48 347.846971 19.969343 BFGS: 215 09:44:48 346.217531 19.878509 BFGS: 216 09:44:48 344.592987 19.789727 BFGS: 217 09:44:48 342.974750 19.702213 BFGS: 218 09:44:48 341.362185 19.615739 BFGS: 219 09:44:48 339.754103 19.531280 BFGS: 220 09:44:48 338.149128 19.448043 BFGS: 221 09:44:48 336.546367 19.365772 BFGS: 222 09:44:48 334.945064 19.284032 BFGS: 223 09:44:48 333.344451 19.202685 BFGS: 224 09:44:48 331.743710 19.121589 BFGS: 225 09:44:48 330.142002 19.040643 BFGS: 226 09:44:48 328.538316 18.961480 BFGS: 227 09:44:49 326.931158 18.883823 BFGS: 228 09:44:49 325.319686 18.807462 BFGS: 229 09:44:49 323.703698 18.731078 BFGS: 230 09:44:49 322.082765 18.654071 BFGS: 231 09:44:49 320.456304 18.576266 BFGS: 232 09:44:49 318.823228 18.497618 BFGS: 233 09:44:49 317.183237 18.417870 BFGS: 234 09:44:49 315.535715 18.337305 BFGS: 235 09:44:49 313.880511 18.255498 BFGS: 236 09:44:49 312.217503 18.172175 BFGS: 237 09:44:49 310.546353 18.087197 BFGS: 238 09:44:49 308.866712 18.001502 BFGS: 239 09:44:49 307.176865 17.914640 BFGS: 240 09:44:49 305.476714 17.827147 BFGS: 241 09:44:49 303.766886 17.737986 BFGS: 242 09:44:49 302.047982 17.646694 BFGS: 243 09:44:49 300.320821 17.553232 BFGS: 244 09:44:49 298.586427 17.457586 BFGS: 245 09:44:49 296.846010 17.359766 BFGS: 246 09:44:49 295.100956 17.259811 BFGS: 247 09:44:49 293.352805 17.157785 BFGS: 248 09:44:49 291.603120 17.053781 BFGS: 249 09:44:49 289.852813 16.947873 BFGS: 250 09:44:49 288.103601 16.840195 BFGS: 251 09:44:49 286.357366 16.730906 BFGS: 252 09:44:49 284.616034 16.620180 BFGS: 253 09:44:49 282.881536 16.508211 BFGS: 254 09:44:49 281.155773 16.395200 BFGS: 255 09:44:49 279.440574 16.281358 BFGS: 256 09:44:49 277.737661 16.166896 BFGS: 257 09:44:49 276.048613 16.052023 BFGS: 258 09:44:49 274.374828 15.936941 BFGS: 259 09:44:49 272.717495 15.821837 BFGS: 260 09:44:49 271.077566 15.706883 BFGS: 261 09:44:49 269.455743 15.592230 BFGS: 262 09:44:49 267.852463 15.478007 BFGS: 263 09:44:49 266.267906 15.364316 BFGS: 264 09:44:49 264.702001 15.251234 BFGS: 265 09:44:49 263.154440 15.138814 BFGS: 266 09:44:49 261.624707 15.027083 BFGS: 267 09:44:49 260.112019 14.916125 BFGS: 268 09:44:49 258.615130 14.805863 BFGS: 269 09:44:49 257.132691 14.698354 BFGS: 270 09:44:49 255.663558 14.591555 BFGS: 271 09:44:49 254.206783 14.485598 BFGS: 272 09:44:49 252.761027 14.384400 BFGS: 273 09:44:49 251.324521 14.284866 BFGS: 274 09:44:49 249.895395 14.185910 BFGS: 275 09:44:49 248.472346 14.087044 BFGS: 276 09:44:49 247.054378 13.988189 BFGS: 277 09:44:49 245.640473 13.889259 BFGS: 278 09:44:49 244.229598 13.790642 BFGS: 279 09:44:49 242.820724 13.692590 BFGS: 280 09:44:49 241.412971 13.595117 BFGS: 281 09:44:49 240.004988 13.498709 BFGS: 282 09:44:49 238.595740 13.401733 BFGS: 283 09:44:49 237.184307 13.304100 BFGS: 284 09:44:49 235.769838 13.205722 BFGS: 285 09:44:49 234.351944 13.106526 BFGS: 286 09:44:49 232.930345 13.006960 BFGS: 287 09:44:49 231.504455 12.907988 BFGS: 288 09:44:49 230.074389 12.808098 BFGS: 289 09:44:49 228.639834 12.707218 BFGS: 290 09:44:49 227.200581 12.605482 BFGS: 291 09:44:49 225.756421 12.503121 BFGS: 292 09:44:49 224.307287 12.399625 BFGS: 293 09:44:49 222.853134 12.295006 BFGS: 294 09:44:49 221.394659 12.189155 BFGS: 295 09:44:49 219.932132 12.082125 BFGS: 296 09:44:49 218.465952 11.974058 BFGS: 297 09:44:50 216.996422 11.866632 BFGS: 298 09:44:50 215.522494 11.762306 BFGS: 299 09:44:50 214.044971 11.656947 BFGS: 300 09:44:50 212.564712 11.550571 BFGS: 301 09:44:50 211.082421 11.443643 BFGS: 302 09:44:50 209.600294 11.336035 BFGS: 303 09:44:50 208.119635 11.227790 BFGS: 304 09:44:50 206.641540 11.119006 BFGS: 305 09:44:50 205.193180 11.011730 BFGS: 306 09:44:50 203.783654 10.906720 BFGS: 307 09:44:50 202.409317 10.803777 BFGS: 308 09:44:50 201.067028 10.703045 BFGS: 309 09:44:50 199.753502 10.605783 BFGS: 310 09:44:50 198.465647 10.510124 BFGS: 311 09:44:50 197.200987 10.415935 BFGS: 312 09:44:50 195.957198 10.323092 BFGS: 313 09:44:50 194.732109 10.231498 BFGS: 314 09:44:50 193.523559 10.141857 BFGS: 315 09:44:50 192.328755 10.053204 BFGS: 316 09:44:50 191.145954 9.965444 BFGS: 317 09:44:50 189.973542 9.878491 BFGS: 318 09:44:50 188.810032 9.792263 BFGS: 319 09:44:50 187.654050 9.706688 BFGS: 320 09:44:50 186.504333 9.621696 BFGS: 321 09:44:50 185.359719 9.537222 BFGS: 322 09:44:50 184.219141 9.453210 BFGS: 323 09:44:50 183.081492 9.371278 BFGS: 324 09:44:50 181.945232 9.289722 BFGS: 325 09:44:50 180.809570 9.208407 BFGS: 326 09:44:50 179.673818 9.127290 BFGS: 327 09:44:50 178.537354 9.046336 BFGS: 328 09:44:50 177.399619 8.965509 BFGS: 329 09:44:50 176.260116 8.884779 BFGS: 330 09:44:50 175.118400 8.804117 BFGS: 331 09:44:50 173.974082 8.723496 BFGS: 332 09:44:50 172.839741 8.643803 BFGS: 333 09:44:50 171.721555 8.565471 BFGS: 334 09:44:50 170.619139 8.488538 BFGS: 335 09:44:50 169.531954 8.412954 BFGS: 336 09:44:50 168.459693 8.338631 BFGS: 337 09:44:50 167.401995 8.265538 BFGS: 338 09:44:50 166.358505 8.193649 BFGS: 339 09:44:50 165.328859 8.123264 BFGS: 340 09:44:50 164.312766 8.054427 BFGS: 341 09:44:50 163.309831 7.986711 BFGS: 342 09:44:50 162.319694 7.920086 BFGS: 343 09:44:50 161.342013 7.854521 BFGS: 344 09:44:50 160.376463 7.795301 BFGS: 345 09:44:50 159.422728 7.748551 BFGS: 346 09:44:50 158.480509 7.702243 BFGS: 347 09:44:50 157.549516 7.656355 BFGS: 348 09:44:50 156.629470 7.610866 BFGS: 349 09:44:50 155.720073 7.565756 BFGS: 350 09:44:50 154.821449 7.520986 BFGS: 351 09:44:50 153.933313 7.476547 BFGS: 352 09:44:50 153.055359 7.433871 BFGS: 353 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19.081154 1.500043 BFGS: 771 09:45:04 18.931590 1.497313 BFGS: 772 09:45:04 18.782021 1.494383 BFGS: 773 09:45:04 18.632497 1.491259 BFGS: 774 09:45:04 18.483244 1.487948 BFGS: 775 09:45:04 18.334726 1.484468 BFGS: 776 09:45:04 18.186971 1.480825 BFGS: 777 09:45:05 18.040009 1.477024 BFGS: 778 09:45:05 17.893865 1.473073 BFGS: 779 09:45:05 17.748567 1.468977 BFGS: 780 09:45:05 17.604139 1.464742 BFGS: 781 09:45:05 17.460602 1.460373 BFGS: 782 09:45:05 17.317979 1.455875 BFGS: 783 09:45:05 17.176289 1.451253 BFGS: 784 09:45:05 17.035548 1.446512 BFGS: 785 09:45:05 16.895774 1.441656 BFGS: 786 09:45:05 16.756981 1.436690 BFGS: 787 09:45:05 16.619180 1.431616 BFGS: 788 09:45:05 16.482385 1.426440 BFGS: 789 09:45:05 16.346604 1.421164 BFGS: 790 09:45:05 16.211846 1.415792 BFGS: 791 09:45:05 16.078118 1.410327 BFGS: 792 09:45:05 15.945427 1.404772 BFGS: 793 09:45:05 15.813776 1.399130 BFGS: 794 09:45:05 15.683171 1.393403 BFGS: 795 09:45:05 15.553613 1.387595 BFGS: 796 09:45:05 15.425081 1.381707 BFGS: 797 09:45:05 15.297437 1.375720 BFGS: 798 09:45:06 15.170656 1.369616 BFGS: 799 09:45:06 15.044746 1.363400 BFGS: 800 09:45:06 14.919714 1.357077 BFGS: 801 09:45:06 14.795569 1.350650 BFGS: 802 09:45:06 14.672314 1.344123 BFGS: 803 09:45:06 14.549954 1.337500 BFGS: 804 09:45:06 14.428495 1.330783 BFGS: 805 09:45:06 14.307939 1.323976 BFGS: 806 09:45:06 14.188289 1.317083 BFGS: 807 09:45:06 14.069548 1.310105 BFGS: 808 09:45:06 13.951717 1.303047 BFGS: 809 09:45:06 13.834797 1.295909 BFGS: 810 09:45:06 13.718791 1.288695 BFGS: 811 09:45:06 13.603698 1.281408 BFGS: 812 09:45:06 13.489519 1.274049 BFGS: 813 09:45:06 13.376254 1.266622 BFGS: 814 09:45:06 13.263879 1.259127 BFGS: 815 09:45:06 13.152276 1.251591 BFGS: 816 09:45:06 13.041444 1.244037 BFGS: 817 09:45:06 12.931397 1.236468 BFGS: 818 09:45:07 12.822144 1.228885 BFGS: 819 09:45:07 12.713694 1.221288 BFGS: 820 09:45:07 12.606051 1.213680 BFGS: 821 09:45:07 12.499220 1.206061 BFGS: 822 09:45:07 12.393205 1.198433 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09:45:08 9.830224 1.033309 BFGS: 850 09:45:08 9.745358 1.026450 BFGS: 851 09:45:08 9.661150 1.019427 BFGS: 852 09:45:08 9.577598 1.012244 BFGS: 853 09:45:08 9.494700 1.004908 BFGS: 854 09:45:08 9.412456 0.997423 BFGS: 855 09:45:08 9.330863 0.989794 BFGS: 856 09:45:08 9.249920 0.982027 BFGS: 857 09:45:08 9.169627 0.974127 BFGS: 858 09:45:08 9.089984 0.966099 BFGS: 859 09:45:09 9.010988 0.957950 BFGS: 860 09:45:09 8.932639 0.949684 BFGS: 861 09:45:09 8.854938 0.941307 BFGS: 862 09:45:09 8.777882 0.932825 BFGS: 863 09:45:09 8.701473 0.924243 BFGS: 864 09:45:09 8.625708 0.915568 BFGS: 865 09:45:09 8.550588 0.906805 BFGS: 866 09:45:09 8.476112 0.897959 BFGS: 867 09:45:09 8.402272 0.889038 BFGS: 868 09:45:09 8.329041 0.880050 BFGS: 869 09:45:09 8.256416 0.871004 BFGS: 870 09:45:09 8.184395 0.861904 BFGS: 871 09:45:09 8.112978 0.852758 BFGS: 872 09:45:09 8.042163 0.843570 BFGS: 873 09:45:09 7.971951 0.834349 BFGS: 874 09:45:09 7.902339 0.825099 BFGS: 875 09:45:09 7.833327 0.815828 BFGS: 876 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09:45:11 6.141574 0.707462 BFGS: 904 09:45:11 6.089590 0.710047 BFGS: 905 09:45:11 6.038184 0.712646 BFGS: 906 09:45:11 5.987355 0.715255 BFGS: 907 09:45:11 5.937104 0.717873 BFGS: 908 09:45:11 5.887429 0.720496 BFGS: 909 09:45:11 5.838331 0.723122 BFGS: 910 09:45:11 5.789808 0.725748 BFGS: 911 09:45:11 5.741859 0.728373 BFGS: 912 09:45:11 5.694484 0.730994 BFGS: 913 09:45:11 5.647680 0.733608 BFGS: 914 09:45:11 5.601448 0.736213 BFGS: 915 09:45:11 5.555784 0.738807 BFGS: 916 09:45:11 5.510689 0.741388 BFGS: 917 09:45:11 5.466160 0.743952 BFGS: 918 09:45:11 5.422183 0.746499 BFGS: 919 09:45:11 5.378789 0.748932 BFGS: 920 09:45:11 5.336000 0.751213 BFGS: 921 09:45:12 5.293796 0.753360 BFGS: 922 09:45:12 5.252161 0.755386 BFGS: 923 09:45:12 5.211079 0.757304 BFGS: 924 09:45:12 5.170539 0.759124 BFGS: 925 09:45:12 5.130527 0.760855 BFGS: 926 09:45:12 5.091035 0.762504 BFGS: 927 09:45:12 5.052053 0.764079 BFGS: 928 09:45:12 5.013573 0.765585 BFGS: 929 09:45:12 4.975588 0.767025 BFGS: 930 09:45:12 4.938091 0.768405 BFGS: 931 09:45:12 4.901076 0.769727 BFGS: 932 09:45:12 4.864537 0.770994 BFGS: 933 09:45:12 4.828468 0.772208 BFGS: 934 09:45:12 4.792866 0.773370 BFGS: 935 09:45:12 4.757724 0.774482 BFGS: 936 09:45:12 4.723039 0.775545 BFGS: 937 09:45:12 4.688807 0.776559 BFGS: 938 09:45:12 4.655022 0.777524 BFGS: 939 09:45:12 4.621683 0.778441 BFGS: 940 09:45:12 4.588784 0.779309 BFGS: 941 09:45:13 4.556321 0.780127 BFGS: 942 09:45:13 4.524293 0.780896 BFGS: 943 09:45:13 4.492694 0.781615 BFGS: 944 09:45:13 4.461521 0.782282 BFGS: 945 09:45:13 4.430772 0.782897 BFGS: 946 09:45:13 4.400442 0.783459 BFGS: 947 09:45:13 4.370529 0.783967 BFGS: 948 09:45:13 4.341029 0.784419 BFGS: 949 09:45:13 4.311938 0.784813 BFGS: 950 09:45:13 4.283255 0.785150 BFGS: 951 09:45:13 4.254972 0.784579 BFGS: 952 09:45:13 4.227028 0.781175 BFGS: 953 09:45:13 4.199432 0.777647 BFGS: 954 09:45:13 4.172176 0.774007 BFGS: 955 09:45:13 4.145250 0.770261 BFGS: 956 09:45:13 4.118633 0.766414 BFGS: 957 09:45:13 4.092318 0.762490 BFGS: 958 09:45:13 4.066299 0.758497 BFGS: 959 09:45:13 4.040574 0.754440 BFGS: 960 09:45:13 4.015139 0.750325 BFGS: 961 09:45:13 3.989989 0.746156 BFGS: 962 09:45:13 3.965095 0.744623 BFGS: 963 09:45:13 3.940304 0.745449 BFGS: 964 09:45:14 3.915593 0.746194 BFGS: 965 09:45:14 3.890958 0.746866 BFGS: 966 09:45:14 3.866398 0.747470 BFGS: 967 09:45:14 3.841912 0.748011 BFGS: 968 09:45:14 3.817497 0.748493 BFGS: 969 09:45:14 3.793154 0.748920 BFGS: 970 09:45:14 3.768880 0.749295 BFGS: 971 09:45:14 3.744675 0.749621 BFGS: 972 09:45:14 3.720538 0.749901 BFGS: 973 09:45:14 3.696469 0.750135 BFGS: 974 09:45:14 3.672467 0.750327 BFGS: 975 09:45:14 3.648532 0.750477 BFGS: 976 09:45:14 3.624663 0.750586 BFGS: 977 09:45:14 3.600860 0.750656 BFGS: 978 09:45:14 3.577124 0.750688 BFGS: 979 09:45:14 3.553454 0.752088 BFGS: 980 09:45:14 3.529850 0.754144 BFGS: 981 09:45:14 3.506312 0.756170 BFGS: 982 09:45:14 3.482840 0.758167 BFGS: 983 09:45:14 3.459436 0.760134 BFGS: 984 09:45:15 3.436098 0.762071 BFGS: 985 09:45:15 3.412828 0.763979 BFGS: 986 09:45:15 3.389626 0.765858 BFGS: 987 09:45:15 3.366492 0.767708 BFGS: 988 09:45:15 3.343426 0.769528 BFGS: 989 09:45:15 3.320430 0.771320 BFGS: 990 09:45:15 3.297504 0.773082 BFGS: 991 09:45:15 3.274649 0.774815 BFGS: 992 09:45:15 3.251865 0.776519 BFGS: 993 09:45:15 3.229153 0.778193 BFGS: 994 09:45:15 3.206514 0.779839 BFGS: 995 09:45:15 3.183949 0.781454 BFGS: 996 09:45:15 3.161458 0.783040 BFGS: 997 09:45:15 3.139042 0.784596 BFGS: 998 09:45:15 3.116703 0.786122 BFGS: 999 09:45:15 3.094442 0.787618 BFGS: 1000 09:45:15 3.072258 0.789084 BFGS: 1001 09:45:15 3.050154 0.790519 BFGS: 1002 09:45:15 3.028131 0.791923 BFGS: 1003 09:45:15 3.006189 0.793297 BFGS: 1004 09:45:15 2.984330 0.794639 BFGS: 1005 09:45:15 2.962555 0.795949 BFGS: 1006 09:45:15 2.940865 0.797228 BFGS: 1007 09:45:15 2.919261 0.798475 BFGS: 1008 09:45:15 2.897745 0.799690 BFGS: 1009 09:45:15 2.876324 0.800872 BFGS: 1010 09:45:15 2.855021 0.802037 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0.744888 BFGS: 1090 09:45:19 1.319645 0.739900 BFGS: 1091 09:45:19 1.304725 0.734890 BFGS: 1092 09:45:19 1.289930 0.729858 BFGS: 1093 09:45:19 1.275258 0.724195 BFGS: 1094 09:45:19 1.260744 0.714907 BFGS: 1095 09:45:20 1.246410 0.705612 BFGS: 1096 09:45:20 1.232255 0.696312 BFGS: 1097 09:45:20 1.218277 0.687008 BFGS: 1098 09:45:20 1.204475 0.677701 BFGS: 1099 09:45:20 1.190847 0.668396 BFGS: 1100 09:45:20 1.177391 0.659092 BFGS: 1101 09:45:20 1.164105 0.649792 BFGS: 1102 09:45:20 1.150989 0.640499 BFGS: 1103 09:45:20 1.138041 0.631213 BFGS: 1104 09:45:20 1.125259 0.621938 BFGS: 1105 09:45:20 1.112642 0.612675 BFGS: 1106 09:45:20 1.100188 0.603427 BFGS: 1107 09:45:20 1.087896 0.594195 BFGS: 1108 09:45:20 1.075764 0.584982 BFGS: 1109 09:45:20 1.063791 0.575790 BFGS: 1110 09:45:20 1.051975 0.566622 BFGS: 1111 09:45:20 1.040315 0.557479 BFGS: 1112 09:45:20 1.028809 0.548364 BFGS: 1113 09:45:20 1.017455 0.539279 BFGS: 1114 09:45:20 1.006253 0.530227 BFGS: 1115 09:45:20 0.995200 0.521211 BFGS: 1116 09:45:20 0.984295 0.512232 BFGS: 1117 09:45:21 0.973534 0.503294 BFGS: 1118 09:45:21 0.962897 0.494399 BFGS: 1119 09:45:21 0.952371 0.485550 BFGS: 1120 09:45:21 0.941956 0.476752 BFGS: 1121 09:45:21 0.931649 0.468007 BFGS: 1122 09:45:21 0.921449 0.459317 BFGS: 1123 09:45:21 0.911355 0.450687 BFGS: 1124 09:45:21 0.901363 0.442118 BFGS: 1125 09:45:21 0.891474 0.433616 BFGS: 1126 09:45:21 0.881684 0.425182 BFGS: 1127 09:45:21 0.871991 0.416820 BFGS: 1128 09:45:21 0.862395 0.408533 BFGS: 1129 09:45:21 0.852894 0.401125 BFGS: 1130 09:45:21 0.843486 0.403611 BFGS: 1131 09:45:21 0.834205 0.404184 BFGS: 1132 09:45:21 0.825067 0.404661 BFGS: 1133 09:45:21 0.816068 0.405041 BFGS: 1134 09:45:21 0.807205 0.405324 BFGS: 1135 09:45:21 0.798475 0.405510 BFGS: 1136 09:45:21 0.789874 0.405600 BFGS: 1137 09:45:21 0.781399 0.405593 BFGS: 1138 09:45:21 0.773048 0.405490 BFGS: 1139 09:45:22 0.764818 0.405291 BFGS: 1140 09:45:22 0.756704 0.404995 BFGS: 1141 09:45:22 0.748704 0.404602 BFGS: 1142 09:45:22 0.740816 0.404113 BFGS: 1143 09:45:22 0.733035 0.403527 BFGS: 1144 09:45:22 0.725360 0.402844 BFGS: 1145 09:45:22 0.717786 0.402064 BFGS: 1146 09:45:22 0.710312 0.401188 BFGS: 1147 09:45:22 0.702934 0.400214 BFGS: 1148 09:45:22 0.695649 0.399144 BFGS: 1149 09:45:22 0.688455 0.397977 BFGS: 1150 09:45:22 0.681349 0.396712 BFGS: 1151 09:45:22 0.674328 0.395351 BFGS: 1152 09:45:22 0.667389 0.393892 BFGS: 1153 09:45:22 0.660530 0.392336 BFGS: 1154 09:45:22 0.653748 0.390682 BFGS: 1155 09:45:22 0.647041 0.388932 BFGS: 1156 09:45:22 0.640405 0.387084 BFGS: 1157 09:45:22 0.633839 0.385140 BFGS: 1158 09:45:22 0.627340 0.383098 BFGS: 1159 09:45:22 0.620906 0.380959 BFGS: 1160 09:45:22 0.614535 0.378723 BFGS: 1161 09:45:22 0.608223 0.376391 BFGS: 1162 09:45:22 0.601970 0.373962 BFGS: 1163 09:45:22 0.595772 0.371436 BFGS: 1164 09:45:22 0.589628 0.368815 BFGS: 1165 09:45:22 0.583554 0.366092 BFGS: 1166 09:45:22 0.577582 0.363196 BFGS: 1167 09:45:22 0.571712 0.360128 BFGS: 1168 09:45:22 0.565932 0.354104 BFGS: 1169 09:45:22 0.560252 0.347456 BFGS: 1170 09:45:22 0.554676 0.340793 BFGS: 1171 09:45:22 0.549202 0.334114 BFGS: 1172 09:45:22 0.543830 0.327419 BFGS: 1173 09:45:22 0.538559 0.320709 BFGS: 1174 09:45:22 0.533388 0.313982 BFGS: 1175 09:45:22 0.528316 0.307240 BFGS: 1176 09:45:22 0.523342 0.300482 BFGS: 1177 09:45:22 0.518465 0.293709 BFGS: 1178 09:45:23 0.513684 0.286920 BFGS: 1179 09:45:23 0.508997 0.280117 BFGS: 1180 09:45:23 0.504403 0.273299 BFGS: 1181 09:45:23 0.499901 0.266467 BFGS: 1182 09:45:23 0.495490 0.259622 BFGS: 1183 09:45:23 0.491169 0.252765 BFGS: 1184 09:45:23 0.486935 0.245896 BFGS: 1185 09:45:23 0.482788 0.239016 BFGS: 1186 09:45:23 0.478725 0.232128 BFGS: 1187 09:45:23 0.474746 0.225231 BFGS: 1188 09:45:23 0.470848 0.218329 BFGS: 1189 09:45:23 0.467030 0.218046 BFGS: 1190 09:45:23 0.463289 0.219784 BFGS: 1191 09:45:23 0.459625 0.221571 BFGS: 1192 09:45:23 0.456034 0.223404 BFGS: 1193 09:45:23 0.452515 0.225280 BFGS: 1194 09:45:23 0.449066 0.227197 BFGS: 1195 09:45:23 0.445684 0.229019 BFGS: 1196 09:45:23 0.442345 0.227146 BFGS: 1197 09:45:23 0.439071 0.226867 BFGS: 1198 09:45:23 0.435856 0.232313 BFGS: 1199 09:45:23 0.432694 0.237627 BFGS: 1200 09:45:23 0.429580 0.242813 BFGS: 1201 09:45:23 0.426511 0.247876 BFGS: 1202 09:45:23 0.423482 0.252817 BFGS: 1203 09:45:23 0.420490 0.257642 BFGS: 1204 09:45:23 0.417532 0.262353 BFGS: 1205 09:45:23 0.414605 0.266953 BFGS: 1206 09:45:23 0.411705 0.271446 BFGS: 1207 09:45:23 0.408832 0.275835 BFGS: 1208 09:45:23 0.405981 0.280121 BFGS: 1209 09:45:23 0.403152 0.284308 BFGS: 1210 09:45:23 0.400343 0.288397 BFGS: 1211 09:45:23 0.397551 0.292391 BFGS: 1212 09:45:23 0.394776 0.296292 BFGS: 1213 09:45:23 0.392015 0.300101 BFGS: 1214 09:45:23 0.389267 0.303820 BFGS: 1215 09:45:23 0.386532 0.307451 BFGS: 1216 09:45:23 0.383807 0.310993 BFGS: 1217 09:45:23 0.381092 0.314449 BFGS: 1218 09:45:23 0.378385 0.317818 BFGS: 1219 09:45:23 0.375685 0.321102 BFGS: 1220 09:45:23 0.372992 0.324301 BFGS: 1221 09:45:23 0.370303 0.327415 BFGS: 1222 09:45:23 0.367620 0.330445 BFGS: 1223 09:45:23 0.364939 0.333389 BFGS: 1224 09:45:23 0.362262 0.336248 BFGS: 1225 09:45:23 0.359585 0.339021 BFGS: 1226 09:45:23 0.356910 0.341707 BFGS: 1227 09:45:23 0.354234 0.344306 BFGS: 1228 09:45:23 0.351557 0.346817 BFGS: 1229 09:45:24 0.348878 0.349237 BFGS: 1230 09:45:24 0.346195 0.351567 BFGS: 1231 09:45:24 0.343510 0.353803 BFGS: 1232 09:45:24 0.340819 0.355945 BFGS: 1233 09:45:24 0.338123 0.357990 BFGS: 1234 09:45:24 0.335420 0.359935 BFGS: 1235 09:45:24 0.332709 0.361779 BFGS: 1236 09:45:24 0.329990 0.363518 BFGS: 1237 09:45:24 0.327262 0.365150 BFGS: 1238 09:45:24 0.324523 0.366672 BFGS: 1239 09:45:24 0.321773 0.368079 BFGS: 1240 09:45:24 0.319010 0.369368 BFGS: 1241 09:45:24 0.316234 0.370535 BFGS: 1242 09:45:24 0.313443 0.371576 BFGS: 1243 09:45:24 0.310637 0.372485 BFGS: 1244 09:45:24 0.307813 0.373259 BFGS: 1245 09:45:24 0.304972 0.373891 BFGS: 1246 09:45:24 0.302112 0.374377 BFGS: 1247 09:45:24 0.299232 0.374709 BFGS: 1248 09:45:24 0.296331 0.374881 BFGS: 1249 09:45:24 0.293404 0.375061 BFGS: 1250 09:45:24 0.290438 0.375456 BFGS: 1251 09:45:24 0.287478 0.375773 BFGS: 1252 09:45:24 0.284525 0.376014 BFGS: 1253 09:45:24 0.281581 0.376179 BFGS: 1254 09:45:24 0.278644 0.376266 BFGS: 1255 09:45:24 0.275715 0.376277 BFGS: 1256 09:45:24 0.272795 0.376211 BFGS: 1257 09:45:24 0.269903 0.376304 BFGS: 1258 09:45:24 0.267008 0.376346 BFGS: 1259 09:45:24 0.264090 0.376230 BFGS: 1260 09:45:24 0.261147 0.375952 BFGS: 1261 09:45:24 0.258180 0.375508 BFGS: 1262 09:45:24 0.255188 0.374893 BFGS: 1263 09:45:24 0.252172 0.374102 BFGS: 1264 09:45:24 0.249131 0.373130 BFGS: 1265 09:45:24 0.246065 0.371969 BFGS: 1266 09:45:24 0.242975 0.370612 BFGS: 1267 09:45:24 0.239861 0.369051 BFGS: 1268 09:45:24 0.236723 0.367276 BFGS: 1269 09:45:24 0.233562 0.365276 BFGS: 1270 09:45:25 0.230378 0.363038 BFGS: 1271 09:45:25 0.227172 0.360548 BFGS: 1272 09:45:25 0.223946 0.357789 BFGS: 1273 09:45:25 0.220700 0.354740 BFGS: 1274 09:45:25 0.217437 0.351377 BFGS: 1275 09:45:25 0.214157 0.347672 BFGS: 1276 09:45:25 0.210865 0.343589 BFGS: 1277 09:45:25 0.207562 0.339086 BFGS: 1278 09:45:25 0.204253 0.334107 BFGS: 1279 09:45:25 0.200942 0.328584 BFGS: 1280 09:45:25 0.197636 0.322424 BFGS: 1281 09:45:25 0.194341 0.315498 BFGS: 1282 09:45:25 0.191068 0.307617 BFGS: 1283 09:45:25 0.187762 0.298481 BFGS: 1284 09:45:25 0.184648 0.289151 BFGS: 1285 09:45:25 0.181827 0.279894 BFGS: 1286 09:45:25 0.179352 0.270761 BFGS: 1287 09:45:25 0.177296 0.261792 BFGS: 1288 09:45:25 0.175832 0.253270 BFGS: 1289 09:45:25 0.175188 0.249691 BFGS: 1290 09:45:25 0.173725 0.243898 BFGS: 1291 09:45:25 0.172616 0.240794 BFGS: 1292 09:45:25 0.171578 0.238240 BFGS: 1293 09:45:25 0.170563 0.235815 BFGS: 1294 09:45:25 0.169566 0.233408 BFGS: 1295 09:45:25 0.168588 0.230983 BFGS: 1296 09:45:25 0.167629 0.228529 BFGS: 1297 09:45:25 0.166690 0.226042 BFGS: 1298 09:45:25 0.165771 0.223520 BFGS: 1299 09:45:25 0.164867 0.220962 BFGS: 1300 09:45:25 0.163975 0.218367 BFGS: 1301 09:45:25 0.163090 0.215731 BFGS: 1302 09:45:25 0.162205 0.213050 BFGS: 1303 09:45:25 0.161312 0.210320 BFGS: 1304 09:45:25 0.160438 0.207570 BFGS: 1305 09:45:25 0.159458 0.205031 BFGS: 1306 09:45:25 0.158282 0.202770 BFGS: 1307 09:45:25 0.156754 0.200915 BFGS: 1308 09:45:25 0.154561 0.199759 BFGS: 1309 09:45:25 0.150799 0.200299 BFGS: 1310 09:45:25 0.146128 0.204244 BFGS: 1311 09:45:25 0.142998 0.208132 BFGS: 1312 09:45:25 0.140169 0.211882 BFGS: 1313 09:45:26 0.137435 0.215485 BFGS: 1314 09:45:26 0.134738 0.218940 BFGS: 1315 09:45:26 0.132074 0.222224 BFGS: 1316 09:45:26 0.129443 0.225325 BFGS: 1317 09:45:26 0.126834 0.228253 BFGS: 1318 09:45:26 0.124238 0.231013 BFGS: 1319 09:45:26 0.121653 0.233609 BFGS: 1320 09:45:26 0.119074 0.236043 BFGS: 1321 09:45:26 0.116500 0.238319 BFGS: 1322 09:45:26 0.113932 0.240438 BFGS: 1323 09:45:26 0.111367 0.242402 BFGS: 1324 09:45:26 0.108807 0.244213 BFGS: 1325 09:45:26 0.106252 0.245872 BFGS: 1326 09:45:26 0.103703 0.247381 BFGS: 1327 09:45:26 0.101159 0.248742 BFGS: 1328 09:45:26 0.098623 0.249957 BFGS: 1329 09:45:26 0.096095 0.251027 BFGS: 1330 09:45:26 0.093576 0.251953 BFGS: 1331 09:45:26 0.091067 0.252738 BFGS: 1332 09:45:26 0.088569 0.253383 BFGS: 1333 09:45:26 0.086085 0.253888 BFGS: 1334 09:45:26 0.083614 0.254256 BFGS: 1335 09:45:26 0.081158 0.254488 BFGS: 1336 09:45:26 0.078720 0.254584 BFGS: 1337 09:45:26 0.076299 0.254546 BFGS: 1338 09:45:26 0.073898 0.254375 BFGS: 1339 09:45:26 0.071517 0.254071 BFGS: 1340 09:45:26 0.069159 0.253635 BFGS: 1341 09:45:26 0.066825 0.253068 BFGS: 1342 09:45:26 0.064516 0.252371 BFGS: 1343 09:45:26 0.062235 0.251542 BFGS: 1344 09:45:26 0.059981 0.250584 BFGS: 1345 09:45:26 0.057758 0.249496 BFGS: 1346 09:45:26 0.055566 0.248278 BFGS: 1347 09:45:26 0.053407 0.246930 BFGS: 1348 09:45:26 0.051282 0.245452 BFGS: 1349 09:45:26 0.049194 0.243843 BFGS: 1350 09:45:26 0.047145 0.242103 BFGS: 1351 09:45:26 0.045138 0.240234 BFGS: 1352 09:45:26 0.043174 0.238235 BFGS: 1353 09:45:26 0.041255 0.236104 BFGS: 1354 09:45:26 0.039383 0.233842 BFGS: 1355 09:45:26 0.037559 0.231446 BFGS: 1356 09:45:26 0.035784 0.228915 BFGS: 1357 09:45:26 0.034059 0.226248 BFGS: 1358 09:45:26 0.032388 0.223441 BFGS: 1359 09:45:26 0.030763 0.219251 BFGS: 1360 09:45:26 0.029195 0.214650 BFGS: 1361 09:45:26 0.027679 0.209868 BFGS: 1362 09:45:26 0.026212 0.204936 BFGS: 1363 09:45:26 0.024793 0.199881 BFGS: 1364 09:45:26 0.023420 0.194726 BFGS: 1365 09:45:26 0.022093 0.189487 BFGS: 1366 09:45:26 0.020811 0.184179 BFGS: 1367 09:45:26 0.019573 0.178816 BFGS: 1368 09:45:26 0.018381 0.173407 BFGS: 1369 09:45:26 0.017233 0.167961 BFGS: 1370 09:45:26 0.016131 0.162485 BFGS: 1371 09:45:26 0.015073 0.156985 BFGS: 1372 09:45:26 0.014061 0.151465 BFGS: 1373 09:45:26 0.013093 0.145929 BFGS: 1374 09:45:26 0.012171 0.140380 BFGS: 1375 09:45:26 0.011294 0.134820 BFGS: 1376 09:45:26 0.010463 0.129252 BFGS: 1377 09:45:26 0.009677 0.123677 BFGS: 1378 09:45:26 0.008936 0.118095 BFGS: 1379 09:45:26 0.008242 0.112508 BFGS: 1380 09:45:26 0.007593 0.106915 BFGS: 1381 09:45:26 0.006990 0.101520 BFGS: 1382 09:45:26 0.006421 0.097170 BFGS: 1383 09:45:26 0.005879 0.092962 BFGS: 1384 09:45:26 0.005359 0.088844 BFGS: 1385 09:45:26 0.004859 0.084777 BFGS: 1386 09:45:26 0.004378 0.080732 BFGS: 1387 09:45:26 0.003917 0.076684 BFGS: 1388 09:45:26 0.003476 0.072614 BFGS: 1389 09:45:26 0.003057 0.068505 BFGS: 1390 09:45:26 0.002659 0.064343 BFGS: 1391 09:45:26 0.002285 0.060114 BFGS: 1392 09:45:26 0.001936 0.055808 BFGS: 1393 09:45:26 0.001612 0.051411 BFGS: 1394 09:45:26 0.001316 0.046911 BFGS: 1395 09:45:26 0.001047 0.042295 BFGS: 1396 09:45:26 0.000806 0.037553 BFGS: 1397 09:45:26 0.000595 0.032683 BFGS: 1398 09:45:26 0.000415 0.027682 BFGS: 1399 09:45:26 0.000266 0.022540 BFGS: 1400 09:45:26 0.000150 0.017241 BFGS: 1401 09:45:26 0.000067 0.011755 BFGS: 1402 09:45:26 0.000017 0.006011 BFGS: 1403 09:45:26 0.000000 0.000348 BFGS: 1404 09:45:26 0.000000 0.000017 BFGS: 1405 09:45:26 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 = [[0.28299052 0.25 0.25468845] [0.21700948 0.75 0.75468845] [0.71700948 0.75 0.74531155] [0.78299052 0.25 0.24531155] [0.49108224 0.25 0.65257602] [0.00891776 0.75 0.15257602] [0.50891776 0.75 0.34742398] [0.99108224 0.25 0.84742398] [0.62491472 0.25 0.18824353] [0.87508528 0.75 0.68824353] [0.37508528 0.75 0.81175647] [0.12491472 0.25 0.31175647] [0.95188509 0.25 0.41771811] [0.54811491 0.75 0.91771811] [0.04811491 0.75 0.58228189] [0.45188509 0.25 0.08228189]] cellpar = Cell([[46.12464074660686, 6.363499200156917e-35, 0.0], [6.734148017209861e-36, 10.25876726700702, 0.0], [0.0, 0.0, 17.199292663084933]]) 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