element(s): ['C'] AFLOW prototype label: A_hP12_194_bc2f Parameter names: ['a', 'c/a', 'z3', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.4678', '13.950077', '0.86916696', '0.13083843'] 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. 0. 0.25 ] [0.33333333 0.66666667 0.25 ] [0.33333333 0.66666667 0.86916696] [0.33333333 0.66666667 0.13083843]] spacegroup = 194 cell = [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]] ========================================= Step Time Energy fmax BFGS: 0 15:21:21 1256.091204 270.252211 BFGS: 1 15:21:21 1229.244063 262.406698 BFGS: 2 15:21:21 1202.838825 254.805579 BFGS: 3 15:21:21 1176.897065 247.438664 BFGS: 4 15:21:21 1150.494564 239.944504 BFGS: 5 15:21:21 1124.965963 232.756536 BFGS: 6 15:21:21 1100.503113 225.994013 BFGS: 7 15:21:21 1076.648937 219.477206 BFGS: 8 15:21:21 1053.331722 213.173957 BFGS: 9 15:21:21 1030.545363 207.075837 BFGS: 10 15:21:21 1008.292741 201.167533 BFGS: 11 15:21:21 986.574854 195.451064 BFGS: 12 15:21:21 965.384406 189.921277 BFGS: 13 15:21:21 944.712449 184.566701 BFGS: 14 15:21:21 924.552406 179.377084 BFGS: 15 15:21:21 904.899271 174.346830 BFGS: 16 15:21:21 885.746456 169.470444 BFGS: 17 15:21:21 867.086044 164.742551 BFGS: 18 15:21:21 848.909012 160.157900 BFGS: 19 15:21:21 831.205430 155.711373 BFGS: 20 15:21:21 813.988800 151.404013 BFGS: 21 15:21:21 797.288278 147.240950 BFGS: 22 15:21:21 781.062255 143.209886 BFGS: 23 15:21:21 765.276274 139.313720 BFGS: 24 15:21:21 749.973600 135.564259 BFGS: 25 15:21:21 735.193545 131.960834 BFGS: 26 15:21:21 720.910468 128.500193 BFGS: 27 15:21:21 707.126579 125.173451 BFGS: 28 15:21:21 693.805479 121.970053 BFGS: 29 15:21:21 680.916710 118.881138 BFGS: 30 15:21:21 668.434555 115.902523 BFGS: 31 15:21:21 656.351034 113.053818 BFGS: 32 15:21:21 644.669011 110.332761 BFGS: 33 15:21:21 633.358547 107.707633 BFGS: 34 15:21:21 622.400909 105.172991 BFGS: 35 15:21:21 611.780087 102.724162 BFGS: 36 15:21:21 601.482209 100.357081 BFGS: 37 15:21:21 591.495112 98.068171 BFGS: 38 15:21:21 581.808003 95.854252 BFGS: 39 15:21:21 572.411196 93.712465 BFGS: 40 15:21:21 563.295892 91.640218 BFGS: 41 15:21:21 554.454001 89.635131 BFGS: 42 15:21:21 545.877991 87.694999 BFGS: 43 15:21:21 537.560761 85.817761 BFGS: 44 15:21:21 529.495543 84.001466 BFGS: 45 15:21:21 521.675808 82.244255 BFGS: 46 15:21:21 514.095201 80.544340 BFGS: 47 15:21:21 506.747484 78.899987 BFGS: 48 15:21:21 499.626117 77.321587 BFGS: 49 15:21:21 492.722223 75.797545 BFGS: 50 15:21:21 486.029061 74.325710 BFGS: 51 15:21:21 479.548967 72.906769 BFGS: 52 15:21:21 473.284151 71.538055 BFGS: 53 15:21:21 467.225893 70.217346 BFGS: 54 15:21:21 461.365762 68.942517 BFGS: 55 15:21:21 455.695554 67.713570 BFGS: 56 15:21:21 450.215649 66.537274 BFGS: 57 15:21:21 444.956268 65.411958 BFGS: 58 15:21:21 439.901030 64.333610 BFGS: 59 15:21:21 435.035451 63.298706 BFGS: 60 15:21:21 430.346586 62.304117 BFGS: 61 15:21:21 425.822766 61.347042 BFGS: 62 15:21:21 421.453397 60.424955 BFGS: 63 15:21:21 417.228794 59.535562 BFGS: 64 15:21:21 413.140059 58.676772 BFGS: 65 15:21:21 409.178976 57.846665 BFGS: 66 15:21:21 405.337929 57.043476 BFGS: 67 15:21:21 401.609827 56.265573 BFGS: 68 15:21:21 397.988052 55.511444 BFGS: 69 15:21:21 394.466405 54.779683 BFGS: 70 15:21:21 391.039066 54.068980 BFGS: 71 15:21:21 387.700557 53.378113 BFGS: 72 15:21:21 384.445711 52.705937 BFGS: 73 15:21:21 381.269645 52.051379 BFGS: 74 15:21:21 378.167737 51.413434 BFGS: 75 15:21:21 375.135605 50.791157 BFGS: 76 15:21:21 372.169017 50.185387 BFGS: 77 15:21:21 369.266647 49.594659 BFGS: 78 15:21:21 366.425236 49.017724 BFGS: 79 15:21:21 363.640790 48.453742 BFGS: 80 15:21:21 360.909531 47.901924 BFGS: 81 15:21:21 358.227886 47.361535 BFGS: 82 15:21:21 355.592470 46.831889 BFGS: 83 15:21:21 352.999987 46.313466 BFGS: 84 15:21:21 350.451494 45.806783 BFGS: 85 15:21:21 347.948550 45.310990 BFGS: 86 15:21:21 345.487445 44.825329 BFGS: 87 15:21:21 343.064756 44.349109 BFGS: 88 15:21:21 340.677316 43.881705 BFGS: 89 15:21:21 338.322194 43.422551 BFGS: 90 15:21:21 335.996675 42.971132 BFGS: 91 15:21:21 333.698245 42.526987 BFGS: 92 15:21:21 331.424577 42.089702 BFGS: 93 15:21:21 329.173521 41.658906 BFGS: 94 15:21:21 326.943090 41.234272 BFGS: 95 15:21:21 324.731458 40.815514 BFGS: 96 15:21:21 322.536953 40.402385 BFGS: 97 15:21:21 320.358051 39.994677 BFGS: 98 15:21:21 318.193371 39.592217 BFGS: 99 15:21:21 316.041676 39.194871 BFGS: 100 15:21:21 313.901870 38.802539 BFGS: 101 15:21:21 311.772996 38.415156 BFGS: 102 15:21:21 309.654233 38.032688 BFGS: 103 15:21:21 307.544896 37.655135 BFGS: 104 15:21:21 305.444432 37.282529 BFGS: 105 15:21:21 303.352419 36.914928 BFGS: 106 15:21:21 301.268558 36.552418 BFGS: 107 15:21:21 299.192666 36.195109 BFGS: 108 15:21:21 297.124669 35.843128 BFGS: 109 15:21:21 295.064592 35.496624 BFGS: 110 15:21:21 293.012542 35.155755 BFGS: 111 15:21:21 290.968697 34.820685 BFGS: 112 15:21:21 288.933285 34.491584 BFGS: 113 15:21:21 286.906568 34.168642 BFGS: 114 15:21:21 284.888414 33.852761 BFGS: 115 15:21:21 282.886552 33.544719 BFGS: 116 15:21:21 280.900937 33.244539 BFGS: 117 15:21:21 278.931500 32.952974 BFGS: 118 15:21:22 276.978064 32.669824 BFGS: 119 15:21:22 275.040440 32.394494 BFGS: 120 15:21:22 273.118425 32.126923 BFGS: 121 15:21:22 271.211748 31.867020 BFGS: 122 15:21:22 269.320065 31.614665 BFGS: 123 15:21:22 267.442957 31.369707 BFGS: 124 15:21:22 265.579931 31.131966 BFGS: 125 15:21:22 263.730425 30.901233 BFGS: 126 15:21:22 261.893812 30.677272 BFGS: 127 15:21:22 260.069412 30.459823 BFGS: 128 15:21:22 258.256499 30.248603 BFGS: 129 15:21:22 256.454310 30.043309 BFGS: 130 15:21:22 254.662060 29.843621 BFGS: 131 15:21:22 252.878948 29.649204 BFGS: 132 15:21:22 251.104170 29.459714 BFGS: 133 15:21:22 249.336929 29.274796 BFGS: 134 15:21:22 247.576443 29.094090 BFGS: 135 15:21:22 245.821949 28.917230 BFGS: 136 15:21:22 244.072719 28.743852 BFGS: 137 15:21:22 242.328054 28.573591 BFGS: 138 15:21:22 240.587295 28.406085 BFGS: 139 15:21:22 238.849824 28.240979 BFGS: 140 15:21:22 237.115066 28.077922 BFGS: 141 15:21:22 235.382485 27.916571 BFGS: 142 15:21:22 233.651591 27.756593 BFGS: 143 15:21:22 231.921929 27.597664 BFGS: 144 15:21:22 230.193083 27.439472 BFGS: 145 15:21:22 228.464669 27.281714 BFGS: 146 15:21:22 226.736331 27.124099 BFGS: 147 15:21:22 225.007739 26.966348 BFGS: 148 15:21:22 223.278579 26.808192 BFGS: 149 15:21:22 221.548551 26.649371 BFGS: 150 15:21:22 219.817363 26.489636 BFGS: 151 15:21:22 218.084727 26.328745 BFGS: 152 15:21:22 216.350349 26.166467 BFGS: 153 15:21:22 214.613928 26.002572 BFGS: 154 15:21:22 212.875151 25.836840 BFGS: 155 15:21:22 211.133685 25.669053 BFGS: 156 15:21:22 209.389175 25.498993 BFGS: 157 15:21:22 207.641238 25.326446 BFGS: 158 15:21:22 205.889462 25.151195 BFGS: 159 15:21:22 204.133398 24.973023 BFGS: 160 15:21:22 202.372557 24.791705 BFGS: 161 15:21:22 200.606408 24.607013 BFGS: 162 15:21:22 198.834219 24.423517 BFGS: 163 15:21:22 197.054504 24.245053 BFGS: 164 15:21:22 195.267874 24.063078 BFGS: 165 15:21:22 193.473776 23.877385 BFGS: 166 15:21:22 191.671617 23.687758 BFGS: 167 15:21:22 189.860766 23.494310 BFGS: 168 15:21:22 188.040491 23.297091 BFGS: 169 15:21:22 186.210001 23.095275 BFGS: 170 15:21:22 184.368518 22.888607 BFGS: 171 15:21:22 182.515210 22.676819 BFGS: 172 15:21:22 180.649191 22.459630 BFGS: 173 15:21:22 178.769512 22.236738 BFGS: 174 15:21:22 176.875161 22.007827 BFGS: 175 15:21:22 174.965054 21.772556 BFGS: 176 15:21:22 173.038029 21.530562 BFGS: 177 15:21:22 171.092837 21.281454 BFGS: 178 15:21:22 169.128131 21.024812 BFGS: 179 15:21:22 167.142456 20.760177 BFGS: 180 15:21:22 165.134233 20.487053 BFGS: 181 15:21:22 163.101741 20.204895 BFGS: 182 15:21:22 161.081462 19.918584 BFGS: 183 15:21:22 159.114789 19.634127 BFGS: 184 15:21:22 157.198690 19.351403 BFGS: 185 15:21:22 155.330324 19.070309 BFGS: 186 15:21:22 153.507006 18.791770 BFGS: 187 15:21:22 151.718859 18.531465 BFGS: 188 15:21:22 149.967020 18.273665 BFGS: 189 15:21:22 148.246817 18.015630 BFGS: 190 15:21:22 146.554932 17.756542 BFGS: 191 15:21:22 144.890503 17.496213 BFGS: 192 15:21:22 143.252698 17.234432 BFGS: 193 15:21:22 141.643136 16.974186 BFGS: 194 15:21:22 140.059403 16.712222 BFGS: 195 15:21:22 138.496112 16.448965 BFGS: 196 15:21:22 136.969157 16.188417 BFGS: 197 15:21:22 135.518304 15.934545 BFGS: 198 15:21:22 134.139061 15.687165 BFGS: 199 15:21:22 132.826909 15.447825 BFGS: 200 15:21:22 131.582082 15.223396 BFGS: 201 15:21:22 130.399856 15.004646 BFGS: 202 15:21:22 129.273013 14.791237 BFGS: 203 15:21:22 128.194875 14.582843 BFGS: 204 15:21:22 127.158623 14.379785 BFGS: 205 15:21:22 126.155679 14.181752 BFGS: 206 15:21:22 125.182550 13.987912 BFGS: 207 15:21:22 124.236131 13.798044 BFGS: 208 15:21:22 123.313745 13.611945 BFGS: 209 15:21:22 122.413127 13.429433 BFGS: 210 15:21:22 121.532392 13.250341 BFGS: 211 15:21:22 120.669968 13.076263 BFGS: 212 15:21:22 119.824349 12.908262 BFGS: 213 15:21:22 118.994613 12.743246 BFGS: 214 15:21:22 118.180040 12.581111 BFGS: 215 15:21:22 117.380096 12.421763 BFGS: 216 15:21:22 116.594399 12.265121 BFGS: 217 15:21:22 115.822689 12.111110 BFGS: 218 15:21:22 115.064797 11.959665 BFGS: 219 15:21:22 114.320616 11.810727 BFGS: 220 15:21:22 113.590077 11.664240 BFGS: 221 15:21:22 112.873133 11.520156 BFGS: 222 15:21:22 112.169737 11.378427 BFGS: 223 15:21:22 111.479827 11.239009 BFGS: 224 15:21:22 110.803320 11.101858 BFGS: 225 15:21:22 110.140019 10.971479 BFGS: 226 15:21:22 109.489123 10.851714 BFGS: 227 15:21:22 108.850724 10.734021 BFGS: 228 15:21:22 108.224562 10.618355 BFGS: 229 15:21:22 107.610339 10.504673 BFGS: 230 15:21:22 107.007721 10.392932 BFGS: 231 15:21:22 106.416338 10.283086 BFGS: 232 15:21:22 105.835796 10.175091 BFGS: 233 15:21:22 105.265673 10.068901 BFGS: 234 15:21:22 104.705530 9.964470 BFGS: 235 15:21:22 104.154915 9.861752 BFGS: 236 15:21:22 103.613366 9.760702 BFGS: 237 15:21:22 103.080415 9.661273 BFGS: 238 15:21:22 102.561098 9.564451 BFGS: 239 15:21:22 102.058910 9.470941 BFGS: 240 15:21:22 101.572386 9.380521 BFGS: 241 15:21:22 101.100196 9.292985 BFGS: 242 15:21:22 100.641133 9.208148 BFGS: 243 15:21:22 100.194099 9.125836 BFGS: 244 15:21:22 99.758101 9.045893 BFGS: 245 15:21:22 99.332237 8.968171 BFGS: 246 15:21:22 98.915688 8.892537 BFGS: 247 15:21:22 98.507711 8.818866 BFGS: 248 15:21:22 98.107631 8.747044 BFGS: 249 15:21:22 97.714838 8.676966 BFGS: 250 15:21:22 97.328775 8.608532 BFGS: 251 15:21:22 96.948938 8.541651 BFGS: 252 15:21:22 96.574870 8.476241 BFGS: 253 15:21:22 96.206154 8.412222 BFGS: 254 15:21:22 95.842412 8.349521 BFGS: 255 15:21:22 95.483300 8.288072 BFGS: 256 15:21:22 95.128506 8.227810 BFGS: 257 15:21:22 94.777746 8.168678 BFGS: 258 15:21:22 94.430760 8.110621 BFGS: 259 15:21:22 94.087312 8.053588 BFGS: 260 15:21:22 93.747189 7.997532 BFGS: 261 15:21:22 93.410193 7.942407 BFGS: 262 15:21:22 93.076147 7.888173 BFGS: 263 15:21:22 92.744887 7.834790 BFGS: 264 15:21:22 92.416265 7.782222 BFGS: 265 15:21:22 92.090145 7.730434 BFGS: 266 15:21:22 91.766403 7.679395 BFGS: 267 15:21:23 91.444926 7.629074 BFGS: 268 15:21:23 91.125611 7.579443 BFGS: 269 15:21:23 90.808363 7.530475 BFGS: 270 15:21:23 90.493096 7.482144 BFGS: 271 15:21:23 90.179731 7.434428 BFGS: 272 15:21:23 89.868196 7.387304 BFGS: 273 15:21:23 89.558424 7.340750 BFGS: 274 15:21:23 89.250357 7.294747 BFGS: 275 15:21:23 88.943938 7.249275 BFGS: 276 15:21:23 88.639118 7.204318 BFGS: 277 15:21:23 88.335851 7.159857 BFGS: 278 15:21:23 88.034095 7.115877 BFGS: 279 15:21:23 87.733813 7.072363 BFGS: 280 15:21:23 87.434970 7.029300 BFGS: 281 15:21:23 87.137534 6.986675 BFGS: 282 15:21:23 86.841477 6.944474 BFGS: 283 15:21:23 86.546773 6.902685 BFGS: 284 15:21:23 86.253399 6.861297 BFGS: 285 15:21:23 85.961334 6.820299 BFGS: 286 15:21:23 85.670558 6.779678 BFGS: 287 15:21:23 85.381055 6.739427 BFGS: 288 15:21:23 85.092809 6.699534 BFGS: 289 15:21:23 84.805808 6.659991 BFGS: 290 15:21:23 84.520038 6.620788 BFGS: 291 15:21:23 84.235489 6.581918 BFGS: 292 15:21:23 83.952152 6.543373 BFGS: 293 15:21:23 83.670019 6.505144 BFGS: 294 15:21:23 83.389082 6.467224 BFGS: 295 15:21:23 83.109336 6.429607 BFGS: 296 15:21:23 82.830776 6.392286 BFGS: 297 15:21:23 82.553378 6.357236 BFGS: 298 15:21:23 82.276932 6.326301 BFGS: 299 15:21:23 82.001455 6.295581 BFGS: 300 15:21:23 81.726952 6.265072 BFGS: 301 15:21:23 81.453429 6.234770 BFGS: 302 15:21:23 81.180891 6.204674 BFGS: 303 15:21:23 80.909342 6.174779 BFGS: 304 15:21:23 80.638789 6.145084 BFGS: 305 15:21:23 80.369236 6.115585 BFGS: 306 15:21:23 80.100688 6.086279 BFGS: 307 15:21:23 79.833151 6.057164 BFGS: 308 15:21:23 79.566629 6.028237 BFGS: 309 15:21:23 79.301128 5.999496 BFGS: 310 15:21:23 79.036653 5.970938 BFGS: 311 15:21:23 78.773208 5.942561 BFGS: 312 15:21:23 78.510839 5.914546 BFGS: 313 15:21:23 78.249900 5.887051 BFGS: 314 15:21:23 77.990239 5.859658 BFGS: 315 15:21:23 77.731878 5.832368 BFGS: 316 15:21:23 77.474839 5.805182 BFGS: 317 15:21:23 77.219141 5.778101 BFGS: 318 15:21:23 76.964806 5.751127 BFGS: 319 15:21:23 76.711851 5.724259 BFGS: 320 15:21:23 76.460296 5.697498 BFGS: 321 15:21:23 76.210157 5.670844 BFGS: 322 15:21:23 75.961451 5.644299 BFGS: 323 15:21:23 75.714194 5.617863 BFGS: 324 15:21:23 75.468401 5.591535 BFGS: 325 15:21:23 75.224085 5.565316 BFGS: 326 15:21:23 74.981261 5.539207 BFGS: 327 15:21:23 74.739940 5.513208 BFGS: 328 15:21:23 74.500135 5.487318 BFGS: 329 15:21:23 74.261858 5.461539 BFGS: 330 15:21:23 74.025112 5.435871 BFGS: 331 15:21:23 73.789906 5.410314 BFGS: 332 15:21:23 73.556251 5.384869 BFGS: 333 15:21:23 73.324155 5.359535 BFGS: 334 15:21:23 73.093625 5.334313 BFGS: 335 15:21:23 72.864669 5.309202 BFGS: 336 15:21:23 72.637293 5.284202 BFGS: 337 15:21:23 72.411503 5.259313 BFGS: 338 15:21:23 72.187303 5.234536 BFGS: 339 15:21:23 71.964698 5.209869 BFGS: 340 15:21:23 71.743690 5.185312 BFGS: 341 15:21:23 71.524283 5.160866 BFGS: 342 15:21:23 71.306477 5.136530 BFGS: 343 15:21:23 71.090274 5.112304 BFGS: 344 15:21:23 70.875673 5.088187 BFGS: 345 15:21:23 70.662662 5.064889 BFGS: 346 15:21:23 70.451259 5.041941 BFGS: 347 15:21:23 70.241471 5.019108 BFGS: 348 15:21:23 70.033293 4.996388 BFGS: 349 15:21:23 69.826717 4.973781 BFGS: 350 15:21:23 69.621735 4.951286 BFGS: 351 15:21:23 69.418337 4.928904 BFGS: 352 15:21:23 69.216514 4.906634 BFGS: 353 15:21:23 69.016253 4.887985 BFGS: 354 15:21:23 68.817544 4.903617 BFGS: 355 15:21:23 68.620372 4.919127 BFGS: 356 15:21:23 68.424723 4.934505 BFGS: 357 15:21:23 68.230580 4.949743 BFGS: 358 15:21:23 68.037927 4.964832 BFGS: 359 15:21:23 67.846744 4.979760 BFGS: 360 15:21:23 67.657013 4.994518 BFGS: 361 15:21:23 67.468710 5.009094 BFGS: 362 15:21:23 67.281813 5.023478 BFGS: 363 15:21:23 67.096296 5.037657 BFGS: 364 15:21:23 66.912133 5.051620 BFGS: 365 15:21:23 66.729295 5.065353 BFGS: 366 15:21:23 66.547751 5.078843 BFGS: 367 15:21:23 66.367468 5.092077 BFGS: 368 15:21:23 66.188411 5.105040 BFGS: 369 15:21:23 66.010543 5.117718 BFGS: 370 15:21:23 65.833830 5.131301 BFGS: 371 15:21:23 65.658615 5.151180 BFGS: 372 15:21:23 65.485057 5.170920 BFGS: 373 15:21:23 65.313117 5.190509 BFGS: 374 15:21:23 65.142755 5.209934 BFGS: 375 15:21:23 64.973929 5.229180 BFGS: 376 15:21:23 64.806593 5.248234 BFGS: 377 15:21:23 64.640698 5.267081 BFGS: 378 15:21:23 64.476136 5.285707 BFGS: 379 15:21:23 64.312764 5.304099 BFGS: 380 15:21:23 64.150528 5.322241 BFGS: 381 15:21:23 63.989362 5.340121 BFGS: 382 15:21:23 63.829198 5.357721 BFGS: 383 15:21:23 63.669959 5.375029 BFGS: 384 15:21:23 63.511569 5.392028 BFGS: 385 15:21:23 63.353943 5.408705 BFGS: 386 15:21:23 63.196993 5.425045 BFGS: 387 15:21:23 63.040624 5.441035 BFGS: 388 15:21:23 62.884738 5.456663 BFGS: 389 15:21:23 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15:21:25 20.764790 1.396398 BFGS: 784 15:21:25 20.651271 1.386269 BFGS: 785 15:21:25 20.536057 1.376115 BFGS: 786 15:21:25 20.419182 1.365937 BFGS: 787 15:21:25 20.300683 1.355736 BFGS: 788 15:21:25 20.180596 1.345512 BFGS: 789 15:21:25 20.058961 1.335268 BFGS: 790 15:21:25 19.935816 1.325003 BFGS: 791 15:21:25 19.811201 1.314720 BFGS: 792 15:21:25 19.685158 1.304418 BFGS: 793 15:21:25 19.557727 1.294100 BFGS: 794 15:21:25 19.428953 1.283765 BFGS: 795 15:21:26 19.298878 1.273416 BFGS: 796 15:21:26 19.167546 1.263053 BFGS: 797 15:21:26 19.035003 1.252678 BFGS: 798 15:21:26 18.901294 1.242292 BFGS: 799 15:21:26 18.766465 1.231895 BFGS: 800 15:21:26 18.630563 1.221490 BFGS: 801 15:21:26 18.493634 1.211076 BFGS: 802 15:21:26 18.355727 1.200656 BFGS: 803 15:21:26 18.216889 1.190231 BFGS: 804 15:21:26 18.077169 1.179802 BFGS: 805 15:21:26 17.936615 1.169369 BFGS: 806 15:21:26 17.795275 1.158935 BFGS: 807 15:21:26 17.653198 1.148500 BFGS: 808 15:21:26 17.510434 1.138066 BFGS: 809 15:21:26 17.367031 1.127634 BFGS: 810 15:21:26 17.223037 1.119402 BFGS: 811 15:21:26 17.078503 1.111701 BFGS: 812 15:21:26 16.933476 1.103925 BFGS: 813 15:21:26 16.788006 1.096079 BFGS: 814 15:21:26 16.642139 1.088164 BFGS: 815 15:21:26 16.495926 1.080181 BFGS: 816 15:21:26 16.349412 1.072135 BFGS: 817 15:21:26 16.202646 1.064027 BFGS: 818 15:21:26 16.055675 1.055859 BFGS: 819 15:21:26 15.908545 1.047635 BFGS: 820 15:21:26 15.761302 1.039355 BFGS: 821 15:21:26 15.613993 1.031023 BFGS: 822 15:21:26 15.466661 1.022641 BFGS: 823 15:21:26 15.319352 1.014210 BFGS: 824 15:21:26 15.172111 1.005734 BFGS: 825 15:21:26 15.024979 0.997215 BFGS: 826 15:21:26 14.878000 0.988654 BFGS: 827 15:21:26 14.731216 0.980054 BFGS: 828 15:21:26 14.584668 0.971417 BFGS: 829 15:21:26 14.438397 0.962745 BFGS: 830 15:21:26 14.292443 0.954040 BFGS: 831 15:21:26 14.146846 0.945305 BFGS: 832 15:21:26 14.001643 0.936540 BFGS: 833 15:21:26 13.856874 0.927749 BFGS: 834 15:21:26 13.712573 0.918933 BFGS: 835 15:21:26 13.568779 0.910094 BFGS: 836 15:21:26 13.425526 0.901234 BFGS: 837 15:21:26 13.282849 0.892354 BFGS: 838 15:21:26 13.140783 0.883457 BFGS: 839 15:21:26 12.999359 0.874544 BFGS: 840 15:21:26 12.858608 0.865832 BFGS: 841 15:21:26 12.718980 0.857599 BFGS: 842 15:21:26 12.581275 0.849347 BFGS: 843 15:21:26 12.445722 0.841141 BFGS: 844 15:21:26 12.312171 0.832991 BFGS: 845 15:21:26 12.180409 0.824896 BFGS: 846 15:21:26 12.050331 0.816853 BFGS: 847 15:21:26 11.921881 0.808862 BFGS: 848 15:21:26 11.795021 0.800922 BFGS: 849 15:21:26 11.669722 0.793033 BFGS: 850 15:21:26 11.545961 0.785193 BFGS: 851 15:21:26 11.423715 0.777402 BFGS: 852 15:21:26 11.302965 0.769661 BFGS: 853 15:21:26 11.183692 0.761967 BFGS: 854 15:21:26 11.065877 0.754322 BFGS: 855 15:21:26 10.949502 0.746724 BFGS: 856 15:21:26 10.834550 0.739173 BFGS: 857 15:21:26 10.721004 0.731668 BFGS: 858 15:21:26 10.608849 0.724209 BFGS: 859 15:21:26 10.498067 0.716796 BFGS: 860 15:21:26 10.388645 0.709428 BFGS: 861 15:21:26 10.280565 0.702105 BFGS: 862 15:21:26 10.173815 0.694827 BFGS: 863 15:21:26 10.068378 0.687592 BFGS: 864 15:21:26 9.964242 0.680401 BFGS: 865 15:21:26 9.861392 0.673253 BFGS: 866 15:21:26 9.759815 0.666147 BFGS: 867 15:21:26 9.659497 0.659084 BFGS: 868 15:21:26 9.560426 0.652063 BFGS: 869 15:21:26 9.462588 0.645084 BFGS: 870 15:21:26 9.365972 0.638146 BFGS: 871 15:21:26 9.270565 0.631249 BFGS: 872 15:21:26 9.176355 0.624392 BFGS: 873 15:21:26 9.083331 0.617575 BFGS: 874 15:21:26 8.991480 0.610799 BFGS: 875 15:21:26 8.900792 0.604062 BFGS: 876 15:21:26 8.811256 0.597363 BFGS: 877 15:21:26 8.722860 0.590704 BFGS: 878 15:21:26 8.635594 0.584084 BFGS: 879 15:21:26 8.549447 0.577501 BFGS: 880 15:21:26 8.464409 0.570956 BFGS: 881 15:21:26 8.380470 0.564449 BFGS: 882 15:21:26 8.297620 0.557979 BFGS: 883 15:21:26 8.215849 0.551546 BFGS: 884 15:21:26 8.135147 0.545150 BFGS: 885 15:21:26 8.055505 0.538790 BFGS: 886 15:21:26 7.976914 0.532466 BFGS: 887 15:21:26 7.899363 0.526178 BFGS: 888 15:21:26 7.822845 0.519925 BFGS: 889 15:21:26 7.747349 0.513707 BFGS: 890 15:21:26 7.672868 0.507524 BFGS: 891 15:21:26 7.599393 0.501376 BFGS: 892 15:21:26 7.526915 0.495262 BFGS: 893 15:21:26 7.455425 0.489182 BFGS: 894 15:21:26 7.384916 0.483136 BFGS: 895 15:21:26 7.315378 0.477124 BFGS: 896 15:21:26 7.246805 0.471144 BFGS: 897 15:21:26 7.179188 0.465198 BFGS: 898 15:21:26 7.112519 0.459285 BFGS: 899 15:21:26 7.046791 0.453404 BFGS: 900 15:21:26 6.981995 0.447555 BFGS: 901 15:21:26 6.918124 0.441738 BFGS: 902 15:21:26 6.855171 0.435953 BFGS: 903 15:21:26 6.793129 0.430200 BFGS: 904 15:21:26 6.731989 0.424477 BFGS: 905 15:21:26 6.671746 0.418786 BFGS: 906 15:21:26 6.612391 0.413126 BFGS: 907 15:21:26 6.553918 0.407496 BFGS: 908 15:21:26 6.496320 0.401896 BFGS: 909 15:21:26 6.439590 0.396327 BFGS: 910 15:21:26 6.383722 0.390788 BFGS: 911 15:21:26 6.328707 0.385278 BFGS: 912 15:21:26 6.274541 0.379797 BFGS: 913 15:21:26 6.221217 0.374346 BFGS: 914 15:21:26 6.168727 0.368924 BFGS: 915 15:21:26 6.117066 0.363531 BFGS: 916 15:21:26 6.066228 0.358166 BFGS: 917 15:21:26 6.016206 0.352830 BFGS: 918 15:21:26 5.966993 0.347522 BFGS: 919 15:21:26 5.918584 0.342242 BFGS: 920 15:21:26 5.870974 0.336989 BFGS: 921 15:21:26 5.824155 0.331765 BFGS: 922 15:21:26 5.778122 0.326567 BFGS: 923 15:21:26 5.732869 0.321397 BFGS: 924 15:21:26 5.688390 0.316254 BFGS: 925 15:21:26 5.644680 0.311138 BFGS: 926 15:21:26 5.601733 0.306048 BFGS: 927 15:21:26 5.559543 0.300984 BFGS: 928 15:21:26 5.518105 0.295947 BFGS: 929 15:21:26 5.477414 0.290936 BFGS: 930 15:21:26 5.437463 0.285951 BFGS: 931 15:21:26 5.398247 0.280992 BFGS: 932 15:21:26 5.359762 0.276058 BFGS: 933 15:21:26 5.322001 0.271149 BFGS: 934 15:21:26 5.284960 0.266266 BFGS: 935 15:21:26 5.248633 0.261407 BFGS: 936 15:21:26 5.212973 0.258245 BFGS: 937 15:21:26 5.179024 0.256729 BFGS: 938 15:21:26 5.147177 0.255302 BFGS: 939 15:21:26 5.116560 0.254109 BFGS: 940 15:21:26 5.086018 0.252922 BFGS: 941 15:21:26 5.055579 0.251741 BFGS: 942 15:21:26 5.025265 0.250567 BFGS: 943 15:21:26 4.995091 0.249398 BFGS: 944 15:21:26 4.965069 0.248236 BFGS: 945 15:21:26 4.935206 0.247079 BFGS: 946 15:21:26 4.905508 0.245928 BFGS: 947 15:21:26 4.875977 0.244783 BFGS: 948 15:21:26 4.846615 0.243644 BFGS: 949 15:21:26 4.817424 0.242511 BFGS: 950 15:21:26 4.788402 0.241384 BFGS: 951 15:21:26 4.759549 0.240262 BFGS: 952 15:21:26 4.730865 0.239146 BFGS: 953 15:21:26 4.702348 0.238035 BFGS: 954 15:21:26 4.673996 0.236930 BFGS: 955 15:21:26 4.645809 0.235831 BFGS: 956 15:21:26 4.617785 0.234737 BFGS: 957 15:21:26 4.589922 0.233648 BFGS: 958 15:21:26 4.562219 0.232565 BFGS: 959 15:21:26 4.534675 0.231487 BFGS: 960 15:21:26 4.507288 0.230415 BFGS: 961 15:21:26 4.480056 0.229348 BFGS: 962 15:21:26 4.452979 0.228286 BFGS: 963 15:21:26 4.426055 0.227229 BFGS: 964 15:21:27 4.399284 0.226178 BFGS: 965 15:21:27 4.372662 0.225131 BFGS: 966 15:21:27 4.346191 0.224090 BFGS: 967 15:21:27 4.319867 0.223054 BFGS: 968 15:21:27 4.293691 0.222023 BFGS: 969 15:21:27 4.267661 0.220996 BFGS: 970 15:21:27 4.241776 0.219975 BFGS: 971 15:21:27 4.216035 0.218959 BFGS: 972 15:21:27 4.190437 0.217947 BFGS: 973 15:21:27 4.164981 0.216941 BFGS: 974 15:21:27 4.139666 0.215939 BFGS: 975 15:21:27 4.114490 0.214942 BFGS: 976 15:21:27 4.089454 0.213950 BFGS: 977 15:21:27 4.064555 0.212963 BFGS: 978 15:21:27 4.039793 0.211980 BFGS: 979 15:21:27 4.015167 0.211002 BFGS: 980 15:21:27 3.990676 0.210028 BFGS: 981 15:21:27 3.966320 0.209060 BFGS: 982 15:21:27 3.942096 0.208095 BFGS: 983 15:21:27 3.918005 0.207136 BFGS: 984 15:21:27 3.894045 0.206180 BFGS: 985 15:21:27 3.870216 0.205230 BFGS: 986 15:21:27 3.846517 0.204283 BFGS: 987 15:21:27 3.822946 0.203341 BFGS: 988 15:21:27 3.799504 0.202404 BFGS: 989 15:21:27 3.776188 0.201471 BFGS: 990 15:21:27 3.752999 0.200542 BFGS: 991 15:21:27 3.729935 0.199617 BFGS: 992 15:21:27 3.706996 0.198697 BFGS: 993 15:21:27 3.684181 0.197781 BFGS: 994 15:21:27 3.661489 0.196869 BFGS: 995 15:21:27 3.638919 0.195962 BFGS: 996 15:21:27 3.616470 0.195058 BFGS: 997 15:21:27 3.594143 0.194159 BFGS: 998 15:21:27 3.571935 0.193264 BFGS: 999 15:21:27 3.549846 0.192373 BFGS: 1000 15:21:27 3.527876 0.191486 BFGS: 1001 15:21:27 3.506023 0.190603 BFGS: 1002 15:21:27 3.484288 0.189724 BFGS: 1003 15:21:27 3.462668 0.188849 BFGS: 1004 15:21:27 3.441164 0.187977 BFGS: 1005 15:21:27 3.419775 0.187110 BFGS: 1006 15:21:27 3.398500 0.186247 BFGS: 1007 15:21:27 3.377338 0.185388 BFGS: 1008 15:21:27 3.356289 0.184532 BFGS: 1009 15:21:27 3.335352 0.183680 BFGS: 1010 15:21:27 3.314526 0.182832 BFGS: 1011 15:21:27 3.293811 0.181988 BFGS: 1012 15:21:27 3.273206 0.181148 BFGS: 1013 15:21:27 3.252710 0.180311 BFGS: 1014 15:21:27 3.232323 0.179478 BFGS: 1015 15:21:27 3.212043 0.178649 BFGS: 1016 15:21:27 3.191871 0.177824 BFGS: 1017 15:21:27 3.171806 0.177002 BFGS: 1018 15:21:27 3.151846 0.176183 BFGS: 1019 15:21:27 3.131992 0.175369 BFGS: 1020 15:21:27 3.112243 0.174557 BFGS: 1021 15:21:27 3.092598 0.173750 BFGS: 1022 15:21:27 3.073057 0.172946 BFGS: 1023 15:21:27 3.053618 0.172145 BFGS: 1024 15:21:27 3.034282 0.171348 BFGS: 1025 15:21:27 3.015048 0.170555 BFGS: 1026 15:21:27 2.995915 0.169764 BFGS: 1027 15:21:27 2.976882 0.168978 BFGS: 1028 15:21:27 2.957950 0.168194 BFGS: 1029 15:21:27 2.939117 0.167414 BFGS: 1030 15:21:27 2.920382 0.166638 BFGS: 1031 15:21:27 2.901747 0.165864 BFGS: 1032 15:21:27 2.883208 0.165095 BFGS: 1033 15:21:27 2.864767 0.164328 BFGS: 1034 15:21:27 2.846423 0.163565 BFGS: 1035 15:21:27 2.828175 0.162804 BFGS: 1036 15:21:27 2.810022 0.162048 BFGS: 1037 15:21:27 2.791964 0.161294 BFGS: 1038 15:21:27 2.774001 0.160544 BFGS: 1039 15:21:27 2.756132 0.159796 BFGS: 1040 15:21:27 2.738356 0.159052 BFGS: 1041 15:21:27 2.720673 0.158311 BFGS: 1042 15:21:27 2.703083 0.157574 BFGS: 1043 15:21:27 2.685584 0.156839 BFGS: 1044 15:21:27 2.668177 0.156107 BFGS: 1045 15:21:27 2.650861 0.155379 BFGS: 1046 15:21:27 2.633635 0.154653 BFGS: 1047 15:21:27 2.616499 0.153931 BFGS: 1048 15:21:27 2.599452 0.153212 BFGS: 1049 15:21:27 2.582494 0.152495 BFGS: 1050 15:21:27 2.565625 0.151782 BFGS: 1051 15:21:27 2.548844 0.151072 BFGS: 1052 15:21:27 2.532150 0.150364 BFGS: 1053 15:21:27 2.515543 0.149660 BFGS: 1054 15:21:27 2.499023 0.148958 BFGS: 1055 15:21:27 2.482589 0.148259 BFGS: 1056 15:21:27 2.466241 0.147564 BFGS: 1057 15:21:27 2.449977 0.146871 BFGS: 1058 15:21:27 2.433799 0.146181 BFGS: 1059 15:21:27 2.417704 0.145493 BFGS: 1060 15:21:27 2.401694 0.144809 BFGS: 1061 15:21:27 2.385767 0.144127 BFGS: 1062 15:21:27 2.369923 0.143448 BFGS: 1063 15:21:27 2.354161 0.142772 BFGS: 1064 15:21:27 2.338482 0.142099 BFGS: 1065 15:21:27 2.322884 0.141429 BFGS: 1066 15:21:27 2.307367 0.140761 BFGS: 1067 15:21:27 2.291932 0.140096 BFGS: 1068 15:21:27 2.276576 0.139433 BFGS: 1069 15:21:27 2.261301 0.138774 BFGS: 1070 15:21:27 2.246105 0.138117 BFGS: 1071 15:21:27 2.230989 0.137462 BFGS: 1072 15:21:27 2.215951 0.136810 BFGS: 1073 15:21:27 2.200991 0.136161 BFGS: 1074 15:21:27 2.186110 0.135515 BFGS: 1075 15:21:27 2.171306 0.134871 BFGS: 1076 15:21:27 2.156579 0.134230 BFGS: 1077 15:21:27 2.141930 0.133591 BFGS: 1078 15:21:27 2.127356 0.132955 BFGS: 1079 15:21:27 2.112859 0.132321 BFGS: 1080 15:21:27 2.098437 0.131690 BFGS: 1081 15:21:27 2.084090 0.131061 BFGS: 1082 15:21:27 2.069818 0.130435 BFGS: 1083 15:21:27 2.055621 0.129811 BFGS: 1084 15:21:27 2.041498 0.129190 BFGS: 1085 15:21:27 2.027449 0.128571 BFGS: 1086 15:21:27 2.013473 0.127955 BFGS: 1087 15:21:27 1.999570 0.127341 BFGS: 1088 15:21:27 1.985740 0.126730 BFGS: 1089 15:21:27 1.971982 0.126121 BFGS: 1090 15:21:27 1.958296 0.125514 BFGS: 1091 15:21:27 1.944682 0.124910 BFGS: 1092 15:21:27 1.931139 0.124308 BFGS: 1093 15:21:27 1.917667 0.123709 BFGS: 1094 15:21:27 1.904266 0.123112 BFGS: 1095 15:21:27 1.890935 0.122517 BFGS: 1096 15:21:27 1.877673 0.121924 BFGS: 1097 15:21:27 1.864482 0.121334 BFGS: 1098 15:21:27 1.851359 0.120746 BFGS: 1099 15:21:27 1.838306 0.120161 BFGS: 1100 15:21:27 1.825321 0.119577 BFGS: 1101 15:21:27 1.812404 0.118996 BFGS: 1102 15:21:27 1.799555 0.118417 BFGS: 1103 15:21:27 1.786774 0.117841 BFGS: 1104 15:21:27 1.774060 0.117266 BFGS: 1105 15:21:27 1.761413 0.116694 BFGS: 1106 15:21:27 1.748832 0.116124 BFGS: 1107 15:21:27 1.736318 0.115556 BFGS: 1108 15:21:27 1.723870 0.114991 BFGS: 1109 15:21:27 1.711488 0.114427 BFGS: 1110 15:21:27 1.699171 0.113866 BFGS: 1111 15:21:27 1.686919 0.113307 BFGS: 1112 15:21:27 1.674732 0.112750 BFGS: 1113 15:21:27 1.662609 0.112195 BFGS: 1114 15:21:27 1.650551 0.111642 BFGS: 1115 15:21:27 1.638556 0.111092 BFGS: 1116 15:21:27 1.626625 0.110543 BFGS: 1117 15:21:27 1.614757 0.109997 BFGS: 1118 15:21:27 1.602952 0.109452 BFGS: 1119 15:21:27 1.591210 0.108910 BFGS: 1120 15:21:27 1.579531 0.108370 BFGS: 1121 15:21:27 1.567913 0.107831 BFGS: 1122 15:21:27 1.556358 0.107295 BFGS: 1123 15:21:27 1.544864 0.106761 BFGS: 1124 15:21:27 1.533431 0.106229 BFGS: 1125 15:21:27 1.522059 0.105698 BFGS: 1126 15:21:27 1.510748 0.105170 BFGS: 1127 15:21:27 1.499498 0.104644 BFGS: 1128 15:21:27 1.488307 0.104120 BFGS: 1129 15:21:27 1.477177 0.103597 BFGS: 1130 15:21:27 1.466106 0.103077 BFGS: 1131 15:21:27 1.455095 0.102559 BFGS: 1132 15:21:27 1.444142 0.102042 BFGS: 1133 15:21:27 1.433249 0.101528 BFGS: 1134 15:21:27 1.422414 0.101015 BFGS: 1135 15:21:27 1.411637 0.100504 BFGS: 1136 15:21:27 1.400919 0.099995 BFGS: 1137 15:21:27 1.390258 0.099488 BFGS: 1138 15:21:27 1.379655 0.098983 BFGS: 1139 15:21:27 1.369109 0.098480 BFGS: 1140 15:21:27 1.358620 0.097978 BFGS: 1141 15:21:27 1.348188 0.097479 BFGS: 1142 15:21:27 1.337813 0.096981 BFGS: 1143 15:21:27 1.327494 0.096485 BFGS: 1144 15:21:27 1.317230 0.095991 BFGS: 1145 15:21:27 1.307023 0.095499 BFGS: 1146 15:21:27 1.296871 0.095009 BFGS: 1147 15:21:27 1.286775 0.094520 BFGS: 1148 15:21:28 1.276733 0.094033 BFGS: 1149 15:21:28 1.266747 0.093548 BFGS: 1150 15:21:28 1.256815 0.093065 BFGS: 1151 15:21:28 1.246937 0.092583 BFGS: 1152 15:21:28 1.237113 0.092103 BFGS: 1153 15:21:28 1.227344 0.091625 BFGS: 1154 15:21:28 1.217628 0.091149 BFGS: 1155 15:21:28 1.207965 0.090674 BFGS: 1156 15:21:28 1.198356 0.090201 BFGS: 1157 15:21:28 1.188799 0.089730 BFGS: 1158 15:21:28 1.179296 0.089261 BFGS: 1159 15:21:28 1.169845 0.088793 BFGS: 1160 15:21:28 1.160446 0.088327 BFGS: 1161 15:21:28 1.151099 0.087862 BFGS: 1162 15:21:28 1.141804 0.087399 BFGS: 1163 15:21:28 1.132561 0.086938 BFGS: 1164 15:21:28 1.123369 0.086479 BFGS: 1165 15:21:28 1.114228 0.086021 BFGS: 1166 15:21:28 1.105139 0.085565 BFGS: 1167 15:21:28 1.096100 0.085110 BFGS: 1168 15:21:28 1.087111 0.084657 BFGS: 1169 15:21:28 1.078173 0.084206 BFGS: 1170 15:21:28 1.069285 0.083756 BFGS: 1171 15:21:28 1.060447 0.083308 BFGS: 1172 15:21:28 1.051659 0.082862 BFGS: 1173 15:21:28 1.042921 0.082417 BFGS: 1174 15:21:28 1.034231 0.081974 BFGS: 1175 15:21:28 1.025591 0.081532 BFGS: 1176 15:21:28 1.016999 0.081092 BFGS: 1177 15:21:28 1.008457 0.080653 BFGS: 1178 15:21:28 0.999962 0.080216 BFGS: 1179 15:21:28 0.991516 0.079780 BFGS: 1180 15:21:28 0.983119 0.079346 BFGS: 1181 15:21:28 0.974769 0.078914 BFGS: 1182 15:21:28 0.966466 0.078483 BFGS: 1183 15:21:28 0.958212 0.078053 BFGS: 1184 15:21:28 0.950004 0.077625 BFGS: 1185 15:21:28 0.941844 0.077199 BFGS: 1186 15:21:28 0.933730 0.076774 BFGS: 1187 15:21:28 0.925664 0.076351 BFGS: 1188 15:21:28 0.917644 0.075929 BFGS: 1189 15:21:28 0.909670 0.075508 BFGS: 1190 15:21:28 0.901742 0.075089 BFGS: 1191 15:21:28 0.893861 0.074671 BFGS: 1192 15:21:28 0.886025 0.074255 BFGS: 1193 15:21:28 0.878235 0.073841 BFGS: 1194 15:21:28 0.870490 0.073427 BFGS: 1195 15:21:28 0.862791 0.073015 BFGS: 1196 15:21:28 0.855136 0.072605 BFGS: 1197 15:21:28 0.847527 0.072196 BFGS: 1198 15:21:28 0.839962 0.071789 BFGS: 1199 15:21:28 0.832442 0.071382 BFGS: 1200 15:21:28 0.824966 0.070978 BFGS: 1201 15:21:28 0.817534 0.070574 BFGS: 1202 15:21:28 0.810146 0.070172 BFGS: 1203 15:21:28 0.802802 0.069772 BFGS: 1204 15:21:28 0.795502 0.069373 BFGS: 1205 15:21:28 0.788245 0.068975 BFGS: 1206 15:21:28 0.781032 0.068578 BFGS: 1207 15:21:28 0.773861 0.068183 BFGS: 1208 15:21:28 0.766734 0.067789 BFGS: 1209 15:21:28 0.759649 0.067397 BFGS: 1210 15:21:28 0.752607 0.067006 BFGS: 1211 15:21:28 0.745608 0.066616 BFGS: 1212 15:21:28 0.738651 0.066228 BFGS: 1213 15:21:28 0.731736 0.065841 BFGS: 1214 15:21:28 0.724863 0.065455 BFGS: 1215 15:21:28 0.718031 0.065070 BFGS: 1216 15:21:28 0.711242 0.064687 BFGS: 1217 15:21:28 0.704494 0.064305 BFGS: 1218 15:21:28 0.697787 0.063925 BFGS: 1219 15:21:28 0.691121 0.063545 BFGS: 1220 15:21:28 0.684496 0.063167 BFGS: 1221 15:21:28 0.677913 0.062791 BFGS: 1222 15:21:28 0.671370 0.062415 BFGS: 1223 15:21:28 0.664867 0.062041 BFGS: 1224 15:21:28 0.658405 0.061668 BFGS: 1225 15:21:28 0.651983 0.061296 BFGS: 1226 15:21:28 0.645601 0.060926 BFGS: 1227 15:21:28 0.639259 0.060557 BFGS: 1228 15:21:28 0.632957 0.060189 BFGS: 1229 15:21:28 0.626694 0.059822 BFGS: 1230 15:21:28 0.620471 0.059457 BFGS: 1231 15:21:28 0.614287 0.059093 BFGS: 1232 15:21:28 0.608143 0.058729 BFGS: 1233 15:21:28 0.602037 0.058368 BFGS: 1234 15:21:28 0.595970 0.058007 BFGS: 1235 15:21:28 0.589942 0.057648 BFGS: 1236 15:21:28 0.583953 0.057289 BFGS: 1237 15:21:28 0.578002 0.056932 BFGS: 1238 15:21:28 0.572089 0.056577 BFGS: 1239 15:21:28 0.566215 0.056222 BFGS: 1240 15:21:28 0.560378 0.055868 BFGS: 1241 15:21:28 0.554579 0.055516 BFGS: 1242 15:21:28 0.548818 0.055165 BFGS: 1243 15:21:28 0.543095 0.054815 BFGS: 1244 15:21:28 0.537409 0.054466 BFGS: 1245 15:21:28 0.531760 0.054119 BFGS: 1246 15:21:28 0.526149 0.053772 BFGS: 1247 15:21:28 0.520574 0.053427 BFGS: 1248 15:21:28 0.515037 0.053082 BFGS: 1249 15:21:28 0.509536 0.052739 BFGS: 1250 15:21:28 0.504071 0.052397 BFGS: 1251 15:21:28 0.498644 0.052056 BFGS: 1252 15:21:28 0.493252 0.051717 BFGS: 1253 15:21:28 0.487897 0.051378 BFGS: 1254 15:21:28 0.482578 0.051041 BFGS: 1255 15:21:28 0.477294 0.050704 BFGS: 1256 15:21:28 0.472047 0.050369 BFGS: 1257 15:21:28 0.466835 0.050035 BFGS: 1258 15:21:28 0.461659 0.049701 BFGS: 1259 15:21:28 0.456518 0.049369 BFGS: 1260 15:21:28 0.451413 0.049038 BFGS: 1261 15:21:28 0.446343 0.048709 BFGS: 1262 15:21:28 0.441307 0.048380 BFGS: 1263 15:21:28 0.436307 0.048052 BFGS: 1264 15:21:28 0.431341 0.047725 BFGS: 1265 15:21:28 0.426410 0.047400 BFGS: 1266 15:21:28 0.421514 0.047075 BFGS: 1267 15:21:28 0.416652 0.046752 BFGS: 1268 15:21:28 0.411824 0.046429 BFGS: 1269 15:21:28 0.407031 0.046108 BFGS: 1270 15:21:28 0.402271 0.045787 BFGS: 1271 15:21:28 0.397545 0.045468 BFGS: 1272 15:21:28 0.392854 0.045150 BFGS: 1273 15:21:28 0.388195 0.044832 BFGS: 1274 15:21:28 0.383571 0.044516 BFGS: 1275 15:21:28 0.378980 0.044201 BFGS: 1276 15:21:28 0.374422 0.043887 BFGS: 1277 15:21:28 0.369897 0.043573 BFGS: 1278 15:21:28 0.365405 0.043261 BFGS: 1279 15:21:28 0.360947 0.042950 BFGS: 1280 15:21:28 0.356521 0.042640 BFGS: 1281 15:21:28 0.352128 0.042330 BFGS: 1282 15:21:28 0.347767 0.042022 BFGS: 1283 15:21:28 0.343439 0.041715 BFGS: 1284 15:21:28 0.339144 0.041409 BFGS: 1285 15:21:28 0.334880 0.041103 BFGS: 1286 15:21:28 0.330649 0.040799 BFGS: 1287 15:21:28 0.326450 0.040495 BFGS: 1288 15:21:28 0.322283 0.040193 BFGS: 1289 15:21:28 0.318147 0.039892 BFGS: 1290 15:21:28 0.314043 0.039591 BFGS: 1291 15:21:28 0.309971 0.039292 BFGS: 1292 15:21:28 0.305931 0.038993 BFGS: 1293 15:21:28 0.301921 0.038695 BFGS: 1294 15:21:28 0.297943 0.038399 BFGS: 1295 15:21:28 0.293996 0.038103 BFGS: 1296 15:21:28 0.290080 0.037808 BFGS: 1297 15:21:28 0.286196 0.037514 BFGS: 1298 15:21:28 0.282341 0.037221 BFGS: 1299 15:21:28 0.278518 0.036929 BFGS: 1300 15:21:28 0.274725 0.036638 BFGS: 1301 15:21:28 0.270963 0.036348 BFGS: 1302 15:21:28 0.267231 0.036058 BFGS: 1303 15:21:28 0.263530 0.035770 BFGS: 1304 15:21:28 0.259858 0.035482 BFGS: 1305 15:21:28 0.256217 0.035196 BFGS: 1306 15:21:28 0.252606 0.034910 BFGS: 1307 15:21:28 0.249024 0.034625 BFGS: 1308 15:21:28 0.245472 0.034341 BFGS: 1309 15:21:28 0.241951 0.034058 BFGS: 1310 15:21:28 0.238458 0.033776 BFGS: 1311 15:21:28 0.234995 0.033495 BFGS: 1312 15:21:28 0.231562 0.033215 BFGS: 1313 15:21:28 0.228157 0.032935 BFGS: 1314 15:21:28 0.224782 0.032656 BFGS: 1315 15:21:28 0.221436 0.032379 BFGS: 1316 15:21:28 0.218119 0.032102 BFGS: 1317 15:21:28 0.214831 0.031826 BFGS: 1318 15:21:28 0.211572 0.031550 BFGS: 1319 15:21:28 0.208341 0.031276 BFGS: 1320 15:21:28 0.205139 0.031003 BFGS: 1321 15:21:28 0.201965 0.030730 BFGS: 1322 15:21:28 0.198820 0.030458 BFGS: 1323 15:21:28 0.195703 0.030187 BFGS: 1324 15:21:28 0.192614 0.029917 BFGS: 1325 15:21:28 0.189554 0.029648 BFGS: 1326 15:21:29 0.186521 0.029379 BFGS: 1327 15:21:29 0.183516 0.029111 BFGS: 1328 15:21:29 0.180540 0.028845 BFGS: 1329 15:21:29 0.177590 0.028579 BFGS: 1330 15:21:29 0.174669 0.028313 BFGS: 1331 15:21:29 0.171775 0.028049 BFGS: 1332 15:21:29 0.168909 0.027786 BFGS: 1333 15:21:29 0.166069 0.027523 BFGS: 1334 15:21:29 0.163258 0.027261 BFGS: 1335 15:21:29 0.160473 0.027000 BFGS: 1336 15:21:29 0.157715 0.026739 BFGS: 1337 15:21:29 0.154985 0.026480 BFGS: 1338 15:21:29 0.152281 0.026221 BFGS: 1339 15:21:29 0.149604 0.025963 BFGS: 1340 15:21:29 0.146954 0.025706 BFGS: 1341 15:21:29 0.144331 0.025449 BFGS: 1342 15:21:29 0.141734 0.025194 BFGS: 1343 15:21:29 0.139164 0.024939 BFGS: 1344 15:21:29 0.136620 0.024685 BFGS: 1345 15:21:29 0.134102 0.024432 BFGS: 1346 15:21:29 0.131610 0.024179 BFGS: 1347 15:21:29 0.129145 0.023927 BFGS: 1348 15:21:29 0.126706 0.023676 BFGS: 1349 15:21:29 0.124292 0.023426 BFGS: 1350 15:21:29 0.121905 0.023177 BFGS: 1351 15:21:29 0.119543 0.022928 BFGS: 1352 15:21:29 0.117207 0.022680 BFGS: 1353 15:21:29 0.114897 0.022433 BFGS: 1354 15:21:29 0.112612 0.022186 BFGS: 1355 15:21:29 0.110352 0.021940 BFGS: 1356 15:21:29 0.108118 0.021695 BFGS: 1357 15:21:29 0.105910 0.021451 BFGS: 1358 15:21:29 0.103726 0.021208 BFGS: 1359 15:21:29 0.101568 0.020965 BFGS: 1360 15:21:29 0.099434 0.020723 BFGS: 1361 15:21:29 0.097326 0.020481 BFGS: 1362 15:21:29 0.095242 0.020241 BFGS: 1363 15:21:29 0.093184 0.020001 BFGS: 1364 15:21:29 0.091150 0.019762 BFGS: 1365 15:21:29 0.089140 0.019523 BFGS: 1366 15:21:29 0.087155 0.019285 BFGS: 1367 15:21:29 0.085195 0.019048 BFGS: 1368 15:21:29 0.083259 0.018812 BFGS: 1369 15:21:29 0.081348 0.018576 BFGS: 1370 15:21:29 0.079460 0.018341 BFGS: 1371 15:21:29 0.077597 0.018107 BFGS: 1372 15:21:29 0.075758 0.017874 BFGS: 1373 15:21:29 0.073943 0.017641 BFGS: 1374 15:21:29 0.072152 0.017409 BFGS: 1375 15:21:29 0.070385 0.017177 BFGS: 1376 15:21:29 0.068641 0.016946 BFGS: 1377 15:21:29 0.066922 0.016716 BFGS: 1378 15:21:29 0.065225 0.016487 BFGS: 1379 15:21:29 0.063553 0.016258 BFGS: 1380 15:21:29 0.061904 0.016030 BFGS: 1381 15:21:29 0.060278 0.015803 BFGS: 1382 15:21:29 0.058676 0.015576 BFGS: 1383 15:21:29 0.057097 0.015350 BFGS: 1384 15:21:29 0.055541 0.015125 BFGS: 1385 15:21:29 0.054009 0.014900 BFGS: 1386 15:21:29 0.052499 0.014676 BFGS: 1387 15:21:29 0.051012 0.014452 BFGS: 1388 15:21:29 0.049548 0.014230 BFGS: 1389 15:21:29 0.048108 0.014008 BFGS: 1390 15:21:29 0.046689 0.013786 BFGS: 1391 15:21:29 0.045294 0.013565 BFGS: 1392 15:21:29 0.043921 0.013345 BFGS: 1393 15:21:29 0.042571 0.013126 BFGS: 1394 15:21:29 0.041243 0.012907 BFGS: 1395 15:21:29 0.039938 0.012689 BFGS: 1396 15:21:29 0.038654 0.012471 BFGS: 1397 15:21:29 0.037394 0.012254 BFGS: 1398 15:21:29 0.036155 0.012038 BFGS: 1399 15:21:29 0.034939 0.011822 BFGS: 1400 15:21:29 0.033744 0.011607 BFGS: 1401 15:21:29 0.032572 0.011393 BFGS: 1402 15:21:29 0.031421 0.011179 BFGS: 1403 15:21:29 0.030293 0.010966 BFGS: 1404 15:21:29 0.029186 0.010753 BFGS: 1405 15:21:29 0.028101 0.010541 BFGS: 1406 15:21:29 0.027037 0.010330 BFGS: 1407 15:21:29 0.025995 0.010119 BFGS: 1408 15:21:29 0.024975 0.009909 BFGS: 1409 15:21:29 0.023976 0.009700 BFGS: 1410 15:21:29 0.022999 0.009491 BFGS: 1411 15:21:29 0.022042 0.009283 BFGS: 1412 15:21:29 0.021107 0.009075 BFGS: 1413 15:21:29 0.020194 0.008868 BFGS: 1414 15:21:29 0.019301 0.008662 BFGS: 1415 15:21:29 0.018430 0.008456 BFGS: 1416 15:21:29 0.017579 0.008250 BFGS: 1417 15:21:29 0.016749 0.008046 BFGS: 1418 15:21:29 0.015941 0.007842 BFGS: 1419 15:21:29 0.015153 0.007638 BFGS: 1420 15:21:29 0.014386 0.007435 BFGS: 1421 15:21:29 0.013639 0.007233 BFGS: 1422 15:21:29 0.012913 0.007031 BFGS: 1423 15:21:29 0.012208 0.006830 BFGS: 1424 15:21:29 0.011523 0.006629 BFGS: 1425 15:21:29 0.010859 0.006429 BFGS: 1426 15:21:29 0.010215 0.006230 BFGS: 1427 15:21:29 0.009591 0.006031 BFGS: 1428 15:21:29 0.008988 0.005833 BFGS: 1429 15:21:29 0.008404 0.005635 BFGS: 1430 15:21:29 0.007841 0.005438 BFGS: 1431 15:21:29 0.007298 0.005241 BFGS: 1432 15:21:29 0.006775 0.005045 BFGS: 1433 15:21:29 0.006272 0.004850 BFGS: 1434 15:21:29 0.005789 0.004655 BFGS: 1435 15:21:29 0.005325 0.004460 BFGS: 1436 15:21:29 0.004882 0.004267 BFGS: 1437 15:21:29 0.004458 0.004073 BFGS: 1438 15:21:29 0.004053 0.003881 BFGS: 1439 15:21:29 0.003669 0.003688 BFGS: 1440 15:21:29 0.003304 0.003497 BFGS: 1441 15:21:29 0.002958 0.003306 BFGS: 1442 15:21:29 0.002632 0.003115 BFGS: 1443 15:21:29 0.002325 0.002925 BFGS: 1444 15:21:29 0.002037 0.002736 BFGS: 1445 15:21:29 0.001769 0.002547 BFGS: 1446 15:21:29 0.001520 0.002358 BFGS: 1447 15:21:29 0.001289 0.002170 BFGS: 1448 15:21:29 0.001079 0.001983 BFGS: 1449 15:21:29 0.000887 0.001796 BFGS: 1450 15:21:29 0.000714 0.001610 BFGS: 1451 15:21:29 0.000559 0.001424 BFGS: 1452 15:21:29 0.000424 0.001239 BFGS: 1453 15:21:29 0.000308 0.001054 BFGS: 1454 15:21:29 0.000210 0.000870 BFGS: 1455 15:21:29 0.000131 0.000686 BFGS: 1456 15:21:29 0.000071 0.000503 BFGS: 1457 15:21:29 0.000029 0.000321 BFGS: 1458 15:21:29 0.000005 0.000139 BFGS: 1459 15:21:29 0.000000 0.000007 BFGS: 1460 15:21:29 0.000000 0.000004 BFGS: 1461 15:21:29 0.000000 0.000002 BFGS: 1462 15:21:29 0.000000 0.000000 BFGS: 1463 15:21:29 0.000000 0.000000 BFGS: 1464 15:21:29 0.000000 0.000000 Minimization converged after 1464 steps. Maximum force component: 1.2673158063408716e-14 eV/Angstrom Maximum stress component: 2.1152419651214094e-17 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 2.28966198e-30 2.50000000e-01] [1.57249080e-28 0.00000000e+00 7.50000000e-01] [3.33333333e-01 6.66666667e-01 2.50000000e-01] [6.66666667e-01 3.33333333e-01 7.50000000e-01] [3.33333333e-01 6.66666667e-01 1.32868763e-01] [6.66666667e-01 3.33333333e-01 6.32868763e-01] [6.66666667e-01 3.33333333e-01 8.67131237e-01] [3.33333333e-01 6.66666667e-01 3.67131237e-01] [3.33333333e-01 6.66666667e-01 1.91434387e-01] [6.66666667e-01 3.33333333e-01 6.91434387e-01] [6.66666667e-01 3.33333333e-01 8.08565613e-01] [3.33333333e-01 6.66666667e-01 3.08565613e-01]] cellpar = Cell([[12.730586385433172, -1.1151426809258114e-15, 1.938416403645073e-14], [-6.365293192716586, 11.025011214857434, -1.5545424915462284e-14], [1.4620027839252518e-13, -1.0098351149979424e-13, 125.50026621593716]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-7.43306298e-46 3.21861068e-46 -1.30267248e-60] [ 3.13582344e-46 -2.21279485e-46 5.94955176e-61] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.47634686e-29 1.01974286e-29 -1.26731581e-14] [-1.47634686e-29 1.01974286e-29 -1.26731581e-14] [ 1.47634686e-29 -1.01974286e-29 1.26731581e-14] [ 1.47634686e-29 -1.01974286e-29 1.26731581e-14]] stress = [-1.80068005e-46 -1.68999468e-46 -2.11524197e-17 -1.51223718e-33 1.53757336e-32 1.09924805e-48] 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