element(s): ['C'] AFLOW prototype label: A_hP12_194_e2f Parameter names: ['a', 'c/a', 'z1', 'z2', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0. 0.18686753] [0.33333333 0.66666667 0.52076763] [0.33333333 0.66666667 0.6450971 ]] spacegroup = 194 cell = [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]] ========================================= Step Time Energy fmax BFGS: 0 17:47:38 1586.043492 208.713148 BFGS: 1 17:47:38 1555.231053 202.789784 BFGS: 2 17:47:38 1530.551384 201.315074 BFGS: 3 17:47:38 1501.346081 195.392517 BFGS: 4 17:47:38 1475.953136 193.351394 BFGS: 5 17:47:38 1448.216826 187.409412 BFGS: 6 17:47:38 1421.723295 182.800476 BFGS: 7 17:47:38 1396.157960 178.343029 BFGS: 8 17:47:38 1371.652377 174.099326 BFGS: 9 17:47:38 1348.215382 170.050436 BFGS: 10 17:47:39 1325.878025 166.195926 BFGS: 11 17:47:39 1304.667954 162.537646 BFGS: 12 17:47:39 1284.606452 159.076964 BFGS: 13 17:47:39 1265.706587 155.821833 BFGS: 14 17:47:39 1248.002500 152.765335 BFGS: 15 17:47:39 1231.483662 149.905289 BFGS: 16 17:47:39 1216.124587 147.236160 BFGS: 17 17:47:39 1201.885890 144.750671 BFGS: 18 17:47:39 1188.749844 142.444745 BFGS: 19 17:47:39 1176.675619 140.315345 BFGS: 20 17:47:39 1165.621129 138.352087 BFGS: 21 17:47:39 1155.498853 136.541304 BFGS: 22 17:47:39 1146.223263 134.865904 BFGS: 23 17:47:39 1137.706855 133.312329 BFGS: 24 17:47:39 1129.862064 131.868441 BFGS: 25 17:47:39 1122.604144 130.521707 BFGS: 26 17:47:39 1115.867670 129.263557 BFGS: 27 17:47:39 1109.583913 128.132558 BFGS: 28 17:47:39 1103.687310 127.576609 BFGS: 29 17:47:39 1098.121069 127.059935 BFGS: 30 17:47:39 1092.836382 126.573308 BFGS: 31 17:47:39 1087.791708 126.108901 BFGS: 32 17:47:39 1082.952022 125.660174 BFGS: 33 17:47:39 1078.288005 125.221722 BFGS: 34 17:47:39 1073.775217 124.789109 BFGS: 35 17:47:40 1069.393319 124.358733 BFGS: 36 17:47:40 1065.125368 123.927683 BFGS: 37 17:47:40 1060.957201 123.493628 BFGS: 38 17:47:40 1056.876810 123.065289 BFGS: 39 17:47:40 1052.875904 122.649245 BFGS: 40 17:47:40 1048.948768 122.229783 BFGS: 41 17:47:40 1045.086711 121.802705 BFGS: 42 17:47:40 1041.282741 121.370380 BFGS: 43 17:47:40 1037.530894 120.928842 BFGS: 44 17:47:40 1033.825927 120.478045 BFGS: 45 17:47:40 1030.163180 120.021459 BFGS: 46 17:47:40 1026.539352 119.555042 BFGS: 47 17:47:40 1022.950496 119.078363 BFGS: 48 17:47:40 1019.393095 118.595616 BFGS: 49 17:47:40 1015.865552 118.105836 BFGS: 50 17:47:40 1012.364090 117.604451 BFGS: 51 17:47:41 1008.886456 117.098101 BFGS: 52 17:47:41 1005.429181 116.580501 BFGS: 53 17:47:41 1001.990847 116.059309 BFGS: 54 17:47:41 998.568130 115.521448 BFGS: 55 17:47:41 995.160571 114.977013 BFGS: 56 17:47:41 991.766146 114.420039 BFGS: 57 17:47:41 988.383468 113.854633 BFGS: 58 17:47:41 985.010728 113.279027 BFGS: 59 17:47:41 981.646301 112.698325 BFGS: 60 17:47:41 978.288827 112.108872 BFGS: 61 17:47:42 974.936727 111.513139 BFGS: 62 17:47:42 971.588510 110.912785 BFGS: 63 17:47:42 968.243145 110.303388 BFGS: 64 17:47:42 964.899571 109.695157 BFGS: 65 17:47:42 961.559120 109.086504 BFGS: 66 17:47:42 958.219275 108.469925 BFGS: 67 17:47:42 954.878964 107.845835 BFGS: 68 17:47:42 951.536992 107.214316 BFGS: 69 17:47:42 948.192281 106.575607 BFGS: 70 17:47:42 944.843755 105.929874 BFGS: 71 17:47:42 941.490385 105.277320 BFGS: 72 17:47:42 938.131175 104.618134 BFGS: 73 17:47:42 934.765159 103.952509 BFGS: 74 17:47:43 931.391405 103.280643 BFGS: 75 17:47:43 928.009009 102.602728 BFGS: 76 17:47:43 924.617102 101.918964 BFGS: 77 17:47:43 921.214839 101.229543 BFGS: 78 17:47:43 917.801409 100.534666 BFGS: 79 17:47:43 914.375851 99.842941 BFGS: 80 17:47:43 910.937481 99.145078 BFGS: 81 17:47:43 907.486851 98.443184 BFGS: 82 17:47:43 904.022461 97.736258 BFGS: 83 17:47:43 900.544171 97.025244 BFGS: 84 17:47:43 897.050994 96.309856 BFGS: 85 17:47:43 893.542569 95.590602 BFGS: 86 17:47:43 890.018141 94.867468 BFGS: 87 17:47:43 886.477095 94.149477 BFGS: 88 17:47:43 882.921717 93.431405 BFGS: 89 17:47:43 879.349203 92.709127 BFGS: 90 17:47:43 875.760377 91.984555 BFGS: 91 17:47:43 872.154033 91.256830 BFGS: 92 17:47:44 868.530236 90.526756 BFGS: 93 17:47:44 864.888367 89.833194 BFGS: 94 17:47:44 861.228219 89.401900 BFGS: 95 17:47:44 857.549313 88.970202 BFGS: 96 17:47:44 853.854168 88.536637 BFGS: 97 17:47:44 850.140458 88.102322 BFGS: 98 17:47:44 846.408888 87.666638 BFGS: 99 17:47:44 842.658787 87.229720 BFGS: 100 17:47:44 838.890253 86.791559 BFGS: 101 17:47:44 835.102987 86.354579 BFGS: 102 17:47:44 831.297794 85.915901 BFGS: 103 17:47:44 827.474164 85.475648 BFGS: 104 17:47:44 823.632344 85.033598 BFGS: 105 17:47:44 819.772226 84.589730 BFGS: 106 17:47:44 815.893930 84.143926 BFGS: 107 17:47:44 811.997454 83.696279 BFGS: 108 17:47:44 808.085253 83.246156 BFGS: 109 17:47:45 804.157181 82.794004 BFGS: 110 17:47:45 800.212616 82.340065 BFGS: 111 17:47:45 796.252202 81.884122 BFGS: 112 17:47:45 792.275909 81.426209 BFGS: 113 17:47:45 788.284157 80.966241 BFGS: 114 17:47:45 784.277125 80.504201 BFGS: 115 17:47:45 780.255186 80.040048 BFGS: 116 17:47:45 776.219280 79.573649 BFGS: 117 17:47:45 772.169356 79.105183 BFGS: 118 17:47:46 768.105903 78.634582 BFGS: 119 17:47:46 764.029326 78.161862 BFGS: 120 17:47:46 759.940044 77.687004 BFGS: 121 17:47:46 755.838476 77.212295 BFGS: 122 17:47:46 751.725947 76.737745 BFGS: 123 17:47:46 747.603165 76.263645 BFGS: 124 17:47:46 743.471524 75.787882 BFGS: 125 17:47:47 739.331254 75.310433 BFGS: 126 17:47:47 735.182969 74.831307 BFGS: 127 17:47:47 731.027318 74.350523 BFGS: 128 17:47:47 726.864794 73.868135 BFGS: 129 17:47:47 722.696116 73.384159 BFGS: 130 17:47:47 718.521801 72.898912 BFGS: 131 17:47:47 714.342326 72.415386 BFGS: 132 17:47:48 710.156772 71.931005 BFGS: 133 17:47:48 705.967648 71.446678 BFGS: 134 17:47:48 701.774303 70.961215 BFGS: 135 17:47:48 697.578572 70.474436 BFGS: 136 17:47:48 693.380766 69.986475 BFGS: 137 17:47:48 689.181706 69.497368 BFGS: 138 17:47:48 684.982027 69.007190 BFGS: 139 17:47:48 680.782459 68.516001 BFGS: 140 17:47:48 676.583678 68.023873 BFGS: 141 17:47:48 672.386404 67.530871 BFGS: 142 17:47:48 668.191327 67.037070 BFGS: 143 17:47:48 663.999158 66.542540 BFGS: 144 17:47:49 659.810595 66.047355 BFGS: 145 17:47:49 655.626342 65.551588 BFGS: 146 17:47:49 651.447096 65.055316 BFGS: 147 17:47:49 647.273554 64.558613 BFGS: 148 17:47:49 643.106394 64.063211 BFGS: 149 17:47:49 638.945713 63.571316 BFGS: 150 17:47:49 634.792854 63.086984 BFGS: 151 17:47:49 630.646593 62.605233 BFGS: 152 17:47:49 626.509019 62.123566 BFGS: 153 17:47:49 622.380456 61.642084 BFGS: 154 17:47:49 618.261535 61.160862 BFGS: 155 17:47:50 614.152888 60.679964 BFGS: 156 17:47:50 610.055114 60.199461 BFGS: 157 17:47:50 605.968816 59.719422 BFGS: 158 17:47:50 601.894423 59.240855 BFGS: 159 17:47:50 597.834392 58.763382 BFGS: 160 17:47:50 593.789111 58.290930 BFGS: 161 17:47:50 589.760881 57.819800 BFGS: 162 17:47:50 585.748544 57.349775 BFGS: 163 17:47:50 581.752364 56.880936 BFGS: 164 17:47:50 577.772827 56.413335 BFGS: 165 17:47:50 573.810391 55.947030 BFGS: 166 17:47:50 569.865509 55.482073 BFGS: 167 17:47:50 565.938619 55.018518 BFGS: 168 17:47:50 562.030147 54.556414 BFGS: 169 17:47:50 558.140504 54.095812 BFGS: 170 17:47:50 554.270006 53.638759 BFGS: 171 17:47:50 550.420228 53.183456 BFGS: 172 17:47:50 546.590651 52.732925 BFGS: 173 17:47:50 542.780070 52.292738 BFGS: 174 17:47:50 538.985860 51.859292 BFGS: 175 17:47:50 535.208226 51.427444 BFGS: 176 17:47:51 531.448676 50.997292 BFGS: 177 17:47:51 527.708486 50.568895 BFGS: 178 17:47:51 523.988345 50.142361 BFGS: 179 17:47:51 520.288806 49.717811 BFGS: 180 17:47:51 516.610717 49.295235 BFGS: 181 17:47:51 512.954037 48.874669 BFGS: 182 17:47:51 509.318932 48.456140 BFGS: 183 17:47:51 505.705612 48.039673 BFGS: 184 17:47:51 502.114283 47.625287 BFGS: 185 17:47:51 498.545142 47.213004 BFGS: 186 17:47:51 494.998348 46.802844 BFGS: 187 17:47:51 491.474426 46.394853 BFGS: 188 17:47:51 487.973567 45.989068 BFGS: 189 17:47:51 484.495852 45.585506 BFGS: 190 17:47:51 481.041406 45.184180 BFGS: 191 17:47:51 477.610309 44.787091 BFGS: 192 17:47:51 474.202305 44.394356 BFGS: 193 17:47:51 470.817097 44.007855 BFGS: 194 17:47:51 467.454315 43.623553 BFGS: 195 17:47:52 464.114299 43.241453 BFGS: 196 17:47:52 460.797218 42.861562 BFGS: 197 17:47:52 457.503181 42.483887 BFGS: 198 17:47:52 454.232276 42.108433 BFGS: 199 17:47:52 450.984579 41.735207 BFGS: 200 17:47:52 447.759942 41.378570 BFGS: 201 17:47:52 444.554586 41.029084 BFGS: 202 17:47:52 441.368363 40.681534 BFGS: 203 17:47:52 438.201970 40.337394 BFGS: 204 17:47:52 435.054494 39.996532 BFGS: 205 17:47:52 431.925849 39.660318 BFGS: 206 17:47:52 428.817693 39.326706 BFGS: 207 17:47:52 425.729966 38.995132 BFGS: 208 17:47:52 422.662940 38.665591 BFGS: 209 17:47:52 419.616734 38.338082 BFGS: 210 17:47:52 416.591411 38.012601 BFGS: 211 17:47:52 413.587007 37.689146 BFGS: 212 17:47:52 410.603544 37.367715 BFGS: 213 17:47:52 407.641040 37.048305 BFGS: 214 17:47:52 404.699389 36.737704 BFGS: 215 17:47:52 401.777626 36.431942 BFGS: 216 17:47:52 398.875469 36.128054 BFGS: 217 17:47:52 395.992927 35.826037 BFGS: 218 17:47:52 393.130009 35.525887 BFGS: 219 17:47:52 390.286721 35.227601 BFGS: 220 17:47:52 387.463063 34.931173 BFGS: 221 17:47:52 384.659034 34.636599 BFGS: 222 17:47:52 381.874629 34.343874 BFGS: 223 17:47:52 379.109839 34.052993 BFGS: 224 17:47:52 376.364653 33.763949 BFGS: 225 17:47:52 373.639056 33.476737 BFGS: 226 17:47:52 370.933031 33.191350 BFGS: 227 17:47:52 368.246555 32.907782 BFGS: 228 17:47:52 365.579607 32.626025 BFGS: 229 17:47:52 362.932160 32.346073 BFGS: 230 17:47:52 360.304184 32.067918 BFGS: 231 17:47:52 357.695649 31.791553 BFGS: 232 17:47:52 355.106430 31.519842 BFGS: 233 17:47:53 352.537699 31.255011 BFGS: 234 17:47:53 349.989476 30.994575 BFGS: 235 17:47:53 347.460343 30.743294 BFGS: 236 17:47:53 344.949210 30.493713 BFGS: 237 17:47:53 342.456024 30.245821 BFGS: 238 17:47:53 339.980731 29.999609 BFGS: 239 17:47:53 337.523276 29.755068 BFGS: 240 17:47:53 335.083607 29.512187 BFGS: 241 17:47:53 332.661666 29.271099 BFGS: 242 17:47:53 330.257151 29.032352 BFGS: 243 17:47:53 327.869457 28.795259 BFGS: 244 17:47:53 325.498882 28.559954 BFGS: 245 17:47:53 323.145386 28.326562 BFGS: 246 17:47:53 320.808850 28.094807 BFGS: 247 17:47:53 318.489458 27.864678 BFGS: 248 17:47:53 316.187286 27.636164 BFGS: 249 17:47:53 313.902348 27.409255 BFGS: 250 17:47:53 311.634623 27.183940 BFGS: 251 17:47:53 309.384068 26.960208 BFGS: 252 17:47:53 307.150627 26.738047 BFGS: 253 17:47:53 304.934236 26.517447 BFGS: 254 17:47:53 302.734828 26.298395 BFGS: 255 17:47:53 300.552330 26.080881 BFGS: 256 17:47:53 298.386668 25.864893 BFGS: 257 17:47:53 296.237766 25.650420 BFGS: 258 17:47:53 294.105546 25.437450 BFGS: 259 17:47:53 291.989932 25.225972 BFGS: 260 17:47:53 289.890843 25.015975 BFGS: 261 17:47:53 287.808123 24.811092 BFGS: 262 17:47:53 285.741382 24.608599 BFGS: 263 17:47:53 283.690474 24.407500 BFGS: 264 17:47:53 281.655299 24.207784 BFGS: 265 17:47:53 279.635765 24.009439 BFGS: 266 17:47:53 277.631787 23.812456 BFGS: 267 17:47:53 275.643283 23.616824 BFGS: 268 17:47:53 273.670174 23.422531 BFGS: 269 17:47:53 271.712381 23.229568 BFGS: 270 17:47:53 269.769827 23.037924 BFGS: 271 17:47:53 267.842435 22.847588 BFGS: 272 17:47:53 265.930128 22.658551 BFGS: 273 17:47:53 264.032832 22.470801 BFGS: 274 17:47:53 262.150468 22.284329 BFGS: 275 17:47:53 260.282961 22.099134 BFGS: 276 17:47:53 258.430145 21.916057 BFGS: 277 17:47:53 256.593142 21.734298 BFGS: 278 17:47:53 254.771565 21.553833 BFGS: 279 17:47:53 252.965115 21.374644 BFGS: 280 17:47:53 251.173560 21.196717 BFGS: 281 17:47:53 249.396713 21.020037 BFGS: 282 17:47:53 247.634419 20.844591 BFGS: 283 17:47:53 245.886543 20.670367 BFGS: 284 17:47:53 244.152967 20.497353 BFGS: 285 17:47:53 242.433586 20.325538 BFGS: 286 17:47:53 240.728298 20.154911 BFGS: 287 17:47:53 239.037010 19.985461 BFGS: 288 17:47:53 237.359591 19.817318 BFGS: 289 17:47:53 235.695525 19.650416 BFGS: 290 17:47:53 234.044630 19.485290 BFGS: 291 17:47:53 232.408050 19.321485 BFGS: 292 17:47:53 230.785251 19.158879 BFGS: 293 17:47:53 229.176139 18.997460 BFGS: 294 17:47:53 227.580618 18.837218 BFGS: 295 17:47:53 225.998596 18.678141 BFGS: 296 17:47:53 224.429980 18.520219 BFGS: 297 17:47:53 222.874677 18.363441 BFGS: 298 17:47:53 221.332595 18.207795 BFGS: 299 17:47:53 219.803643 18.053272 BFGS: 300 17:47:53 218.287730 17.899861 BFGS: 301 17:47:53 216.784765 17.747552 BFGS: 302 17:47:53 215.294658 17.596333 BFGS: 303 17:47:53 213.817322 17.446196 BFGS: 304 17:47:53 212.352666 17.297129 BFGS: 305 17:47:53 210.900603 17.149123 BFGS: 306 17:47:53 209.461046 17.002168 BFGS: 307 17:47:53 208.033908 16.856255 BFGS: 308 17:47:53 206.619103 16.711372 BFGS: 309 17:47:54 205.216545 16.567512 BFGS: 310 17:47:54 203.826150 16.424663 BFGS: 311 17:47:54 202.447833 16.282818 BFGS: 312 17:47:54 201.081511 16.141966 BFGS: 313 17:47:54 199.727100 16.002098 BFGS: 314 17:47:54 198.384518 15.863205 BFGS: 315 17:47:54 197.053684 15.725279 BFGS: 316 17:47:54 195.734515 15.588310 BFGS: 317 17:47:54 194.426883 15.455809 BFGS: 318 17:47:54 193.130381 15.328484 BFGS: 319 17:47:54 191.844844 15.202027 BFGS: 320 17:47:54 190.570143 15.076430 BFGS: 321 17:47:54 189.306164 14.951680 BFGS: 322 17:47:54 188.052803 14.827770 BFGS: 323 17:47:54 186.809937 14.706172 BFGS: 324 17:47:54 185.577119 14.586225 BFGS: 325 17:47:54 184.354034 14.471431 BFGS: 326 17:47:54 183.139762 14.357643 BFGS: 327 17:47:54 181.934355 14.244559 BFGS: 328 17:47:54 180.737892 14.132177 BFGS: 329 17:47:54 179.550417 14.020547 BFGS: 330 17:47:54 178.372078 13.909795 BFGS: 331 17:47:54 177.203545 13.799789 BFGS: 332 17:47:54 176.044663 13.690520 BFGS: 333 17:47:54 174.895298 13.581978 BFGS: 334 17:47:54 173.755328 13.474155 BFGS: 335 17:47:54 172.624646 13.367042 BFGS: 336 17:47:54 171.503154 13.260633 BFGS: 337 17:47:54 170.390762 13.154920 BFGS: 338 17:47:54 169.287387 13.049895 BFGS: 339 17:47:54 168.192951 12.945552 BFGS: 340 17:47:54 167.107349 12.843232 BFGS: 341 17:47:54 166.030323 12.743092 BFGS: 342 17:47:54 164.961797 12.643621 BFGS: 343 17:47:54 163.901601 12.547971 BFGS: 344 17:47:54 162.849296 12.455535 BFGS: 345 17:47:54 161.804796 12.363710 BFGS: 346 17:47:54 160.768050 12.272491 BFGS: 347 17:47:54 159.738997 12.181874 BFGS: 348 17:47:54 158.717711 12.091859 BFGS: 349 17:47:54 157.704136 12.002442 BFGS: 350 17:47:54 156.698204 11.913617 BFGS: 351 17:47:54 155.699847 11.825378 BFGS: 352 17:47:54 154.709002 11.737719 BFGS: 353 17:47:54 153.725609 11.650634 BFGS: 354 17:47:54 152.749609 11.564118 BFGS: 355 17:47:54 151.780945 11.478166 BFGS: 356 17:47:54 150.819564 11.392773 BFGS: 357 17:47:54 149.865410 11.307933 BFGS: 358 17:47:55 148.918431 11.223641 BFGS: 359 17:47:55 147.978577 11.139892 BFGS: 360 17:47:55 147.045797 11.056681 BFGS: 361 17:47:55 146.120040 10.974004 BFGS: 362 17:47:55 145.201260 10.891855 BFGS: 363 17:47:55 144.289406 10.810230 BFGS: 364 17:47:55 143.384431 10.729124 BFGS: 365 17:47:55 142.486290 10.648533 BFGS: 366 17:47:55 141.594934 10.568451 BFGS: 367 17:47:55 140.710319 10.488875 BFGS: 368 17:47:55 139.832399 10.409800 BFGS: 369 17:47:55 138.961128 10.331222 BFGS: 370 17:47:55 138.096463 10.253136 BFGS: 371 17:47:55 137.238359 10.175538 BFGS: 372 17:47:55 136.386605 10.105194 BFGS: 373 17:47:55 135.540569 10.035454 BFGS: 374 17:47:55 134.700237 9.966124 BFGS: 375 17:47:55 133.865600 9.897203 BFGS: 376 17:47:55 133.036646 9.828688 BFGS: 377 17:47:55 132.213360 9.760575 BFGS: 378 17:47:55 131.395723 9.692861 BFGS: 379 17:47:55 130.583716 9.625545 BFGS: 380 17:47:55 129.777314 9.558622 BFGS: 381 17:47:55 128.976495 9.492090 BFGS: 382 17:47:55 128.181232 9.425945 BFGS: 383 17:47:55 127.391500 9.360186 BFGS: 384 17:47:55 126.607271 9.294808 BFGS: 385 17:47:55 125.828518 9.229809 BFGS: 386 17:47:55 125.055212 9.165186 BFGS: 387 17:47:55 124.287324 9.100936 BFGS: 388 17:47:55 123.524825 9.037056 BFGS: 389 17:47:55 122.767686 8.973543 BFGS: 390 17:47:55 122.015878 8.910394 BFGS: 391 17:47:55 121.269371 8.847606 BFGS: 392 17:47:55 120.528136 8.785177 BFGS: 393 17:47:55 119.792142 8.723104 BFGS: 394 17:47:55 119.061362 8.661383 BFGS: 395 17:47:55 118.335765 8.600012 BFGS: 396 17:47:55 117.615321 8.538988 BFGS: 397 17:47:55 116.900003 8.478309 BFGS: 398 17:47:55 116.189780 8.417972 BFGS: 399 17:47:55 115.484623 8.357974 BFGS: 400 17:47:55 114.784505 8.298313 BFGS: 401 17:47:55 114.089396 8.238985 BFGS: 402 17:47:55 113.399268 8.179989 BFGS: 403 17:47:55 112.714093 8.121321 BFGS: 404 17:47:55 112.033843 8.062979 BFGS: 405 17:47:55 111.358486 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14.397377 1.072280 BFGS: 747 17:47:59 14.305130 1.065333 BFGS: 748 17:47:59 14.213434 1.058409 BFGS: 749 17:47:59 14.122288 1.051508 BFGS: 750 17:47:59 14.031689 1.044631 BFGS: 751 17:47:59 13.941635 1.037776 BFGS: 752 17:47:59 13.852125 1.030945 BFGS: 753 17:47:59 13.763157 1.024136 BFGS: 754 17:47:59 13.674729 1.017350 BFGS: 755 17:47:59 13.586839 1.010587 BFGS: 756 17:47:59 13.499485 1.003846 BFGS: 757 17:47:59 13.412665 0.997128 BFGS: 758 17:47:59 13.326377 0.990431 BFGS: 759 17:47:59 13.240620 0.983758 BFGS: 760 17:47:59 13.155392 0.977106 BFGS: 761 17:47:59 13.070690 0.970476 BFGS: 762 17:47:59 12.986513 0.963868 BFGS: 763 17:47:59 12.902860 0.957282 BFGS: 764 17:47:59 12.819728 0.950718 BFGS: 765 17:47:59 12.737116 0.944175 BFGS: 766 17:47:59 12.655021 0.937654 BFGS: 767 17:47:59 12.573443 0.931154 BFGS: 768 17:47:59 12.492379 0.924675 BFGS: 769 17:47:59 12.411813 0.918664 BFGS: 770 17:47:59 12.331703 0.912734 BFGS: 771 17:47:59 12.252034 0.907391 BFGS: 772 17:47:59 12.172722 0.902540 BFGS: 773 17:47:59 12.093738 0.897715 BFGS: 774 17:47:59 12.015082 0.892916 BFGS: 775 17:47:59 11.936752 0.888141 BFGS: 776 17:47:59 11.858750 0.883390 BFGS: 777 17:47:59 11.781074 0.878664 BFGS: 778 17:47:59 11.703725 0.873960 BFGS: 779 17:47:59 11.626702 0.869279 BFGS: 780 17:47:59 11.550007 0.864620 BFGS: 781 17:47:59 11.473638 0.859983 BFGS: 782 17:47:59 11.397597 0.855367 BFGS: 783 17:47:59 11.321882 0.850771 BFGS: 784 17:47:59 11.246496 0.846197 BFGS: 785 17:47:59 11.171436 0.841642 BFGS: 786 17:47:59 11.096705 0.837107 BFGS: 787 17:47:59 11.022302 0.832591 BFGS: 788 17:47:59 10.948226 0.828094 BFGS: 789 17:47:59 10.874479 0.823616 BFGS: 790 17:47:59 10.801061 0.819156 BFGS: 791 17:47:59 10.727970 0.814715 BFGS: 792 17:47:59 10.655209 0.810291 BFGS: 793 17:47:59 10.582775 0.805885 BFGS: 794 17:47:59 10.510671 0.801496 BFGS: 795 17:47:59 10.438894 0.797125 BFGS: 796 17:47:59 10.367446 0.792770 BFGS: 797 17:47:59 10.296327 0.788432 BFGS: 798 17:47:59 10.225535 0.784110 BFGS: 799 17:47:59 10.155072 0.779805 BFGS: 800 17:47:59 10.084936 0.775516 BFGS: 801 17:47:59 10.015128 0.771243 BFGS: 802 17:47:59 9.945647 0.766986 BFGS: 803 17:47:59 9.876493 0.762744 BFGS: 804 17:47:59 9.807666 0.758517 BFGS: 805 17:47:59 9.739166 0.754306 BFGS: 806 17:47:59 9.670991 0.750110 BFGS: 807 17:47:59 9.603142 0.745929 BFGS: 808 17:47:59 9.535618 0.741762 BFGS: 809 17:47:59 9.468418 0.737611 BFGS: 810 17:47:59 9.401543 0.733474 BFGS: 811 17:47:59 9.334992 0.729351 BFGS: 812 17:47:59 9.268764 0.725242 BFGS: 813 17:47:59 9.202858 0.721148 BFGS: 814 17:47:59 9.137275 0.717068 BFGS: 815 17:47:59 9.072013 0.713002 BFGS: 816 17:47:59 9.007072 0.708949 BFGS: 817 17:47:59 8.942452 0.704911 BFGS: 818 17:47:59 8.878151 0.700886 BFGS: 819 17:47:59 8.814169 0.696874 BFGS: 820 17:47:59 8.750506 0.692876 BFGS: 821 17:47:59 8.687160 0.688892 BFGS: 822 17:47:59 8.624132 0.684920 BFGS: 823 17:47:59 8.561419 0.680962 BFGS: 824 17:47:59 8.499023 0.677017 BFGS: 825 17:47:59 8.436941 0.673084 BFGS: 826 17:47:59 8.375173 0.669165 BFGS: 827 17:47:59 8.313719 0.665259 BFGS: 828 17:47:59 8.252577 0.661365 BFGS: 829 17:47:59 8.191747 0.657484 BFGS: 830 17:47:59 8.131229 0.653615 BFGS: 831 17:47:59 8.071020 0.649759 BFGS: 832 17:47:59 8.011122 0.645916 BFGS: 833 17:47:59 7.951532 0.642085 BFGS: 834 17:47:59 7.892250 0.638266 BFGS: 835 17:47:59 7.833275 0.634459 BFGS: 836 17:47:59 7.774606 0.630665 BFGS: 837 17:47:59 7.716243 0.626882 BFGS: 838 17:47:59 7.658185 0.623112 BFGS: 839 17:47:59 7.600430 0.619354 BFGS: 840 17:47:59 7.542979 0.615607 BFGS: 841 17:47:59 7.485830 0.611873 BFGS: 842 17:47:59 7.428982 0.608150 BFGS: 843 17:47:59 7.372435 0.604439 BFGS: 844 17:47:59 7.316188 0.600740 BFGS: 845 17:47:59 7.260239 0.597052 BFGS: 846 17:47:59 7.204589 0.593376 BFGS: 847 17:47:59 7.149236 0.589711 BFGS: 848 17:47:59 7.094179 0.586058 BFGS: 849 17:47:59 7.039417 0.582416 BFGS: 850 17:47:59 6.984951 0.578785 BFGS: 851 17:47:59 6.930778 0.575166 BFGS: 852 17:47:59 6.876898 0.571558 BFGS: 853 17:47:59 6.823310 0.567961 BFGS: 854 17:47:59 6.770013 0.564376 BFGS: 855 17:47:59 6.717007 0.560801 BFGS: 856 17:47:59 6.664291 0.557237 BFGS: 857 17:47:59 6.611863 0.553685 BFGS: 858 17:47:59 6.559723 0.550143 BFGS: 859 17:47:59 6.507870 0.546612 BFGS: 860 17:47:59 6.456304 0.543092 BFGS: 861 17:47:59 6.405022 0.539583 BFGS: 862 17:47:59 6.354026 0.536085 BFGS: 863 17:47:59 6.303312 0.532597 BFGS: 864 17:47:59 6.252882 0.529120 BFGS: 865 17:47:59 6.202734 0.525654 BFGS: 866 17:47:59 6.152867 0.522198 BFGS: 867 17:47:59 6.103280 0.518752 BFGS: 868 17:47:59 6.053972 0.515318 BFGS: 869 17:47:59 6.004943 0.511893 BFGS: 870 17:47:59 5.956192 0.508479 BFGS: 871 17:47:59 5.907718 0.505075 BFGS: 872 17:47:59 5.859520 0.501682 BFGS: 873 17:47:59 5.811598 0.498299 BFGS: 874 17:47:59 5.763950 0.494926 BFGS: 875 17:47:59 5.716575 0.491563 BFGS: 876 17:48:00 5.669474 0.488210 BFGS: 877 17:48:00 5.622644 0.484868 BFGS: 878 17:48:00 5.576086 0.481535 BFGS: 879 17:48:00 5.529798 0.478213 BFGS: 880 17:48:00 5.483779 0.474900 BFGS: 881 17:48:00 5.438029 0.471598 BFGS: 882 17:48:00 5.392547 0.468305 BFGS: 883 17:48:00 5.347333 0.465022 BFGS: 884 17:48:00 5.302384 0.461749 BFGS: 885 17:48:00 5.257702 0.458486 BFGS: 886 17:48:00 5.213284 0.455232 BFGS: 887 17:48:00 5.169129 0.451988 BFGS: 888 17:48:00 5.125238 0.448754 BFGS: 889 17:48:00 5.081610 0.445530 BFGS: 890 17:48:00 5.038243 0.442315 BFGS: 891 17:48:00 4.995136 0.439109 BFGS: 892 17:48:00 4.952290 0.435914 BFGS: 893 17:48:00 4.909702 0.432727 BFGS: 894 17:48:00 4.867374 0.429550 BFGS: 895 17:48:00 4.825302 0.426383 BFGS: 896 17:48:00 4.783488 0.423225 BFGS: 897 17:48:00 4.741930 0.420076 BFGS: 898 17:48:00 4.700627 0.416936 BFGS: 899 17:48:00 4.659578 0.413806 BFGS: 900 17:48:00 4.618784 0.410685 BFGS: 901 17:48:00 4.578242 0.407573 BFGS: 902 17:48:00 4.537952 0.404470 BFGS: 903 17:48:00 4.497914 0.401377 BFGS: 904 17:48:00 4.458127 0.398292 BFGS: 905 17:48:00 4.418590 0.395217 BFGS: 906 17:48:00 4.379302 0.392150 BFGS: 907 17:48:00 4.340262 0.389093 BFGS: 908 17:48:00 4.301470 0.386045 BFGS: 909 17:48:00 4.262925 0.383005 BFGS: 910 17:48:00 4.224626 0.379974 BFGS: 911 17:48:00 4.186573 0.376953 BFGS: 912 17:48:00 4.148764 0.373940 BFGS: 913 17:48:00 4.111200 0.370936 BFGS: 914 17:48:00 4.073879 0.367940 BFGS: 915 17:48:00 4.036800 0.364953 BFGS: 916 17:48:00 3.999963 0.361975 BFGS: 917 17:48:00 3.963367 0.359006 BFGS: 918 17:48:00 3.927012 0.356045 BFGS: 919 17:48:00 3.890896 0.353093 BFGS: 920 17:48:00 3.855019 0.350150 BFGS: 921 17:48:00 3.819381 0.347215 BFGS: 922 17:48:00 3.783980 0.344288 BFGS: 923 17:48:00 3.748815 0.341370 BFGS: 924 17:48:00 3.713887 0.338461 BFGS: 925 17:48:00 3.679194 0.335721 BFGS: 926 17:48:00 3.644736 0.334102 BFGS: 927 17:48:00 3.610512 0.332488 BFGS: 928 17:48:00 3.576521 0.330880 BFGS: 929 17:48:00 3.542763 0.329276 BFGS: 930 17:48:00 3.509236 0.327677 BFGS: 931 17:48:00 3.475941 0.326083 BFGS: 932 17:48:00 3.442876 0.324495 BFGS: 933 17:48:00 3.410041 0.322911 BFGS: 934 17:48:00 3.377435 0.321332 BFGS: 935 17:48:00 3.345058 0.319757 BFGS: 936 17:48:00 3.312908 0.318188 BFGS: 937 17:48:00 3.280986 0.316623 BFGS: 938 17:48:00 3.249290 0.315064 BFGS: 939 17:48:00 3.217819 0.313509 BFGS: 940 17:48:00 3.186574 0.311959 BFGS: 941 17:48:00 3.155553 0.310413 BFGS: 942 17:48:00 3.124756 0.308873 BFGS: 943 17:48:00 3.094182 0.307337 BFGS: 944 17:48:00 3.063830 0.305806 BFGS: 945 17:48:00 3.033700 0.304279 BFGS: 946 17:48:00 3.003791 0.302757 BFGS: 947 17:48:00 2.974102 0.301240 BFGS: 948 17:48:00 2.944634 0.299728 BFGS: 949 17:48:00 2.915384 0.298220 BFGS: 950 17:48:00 2.886353 0.296716 BFGS: 951 17:48:00 2.857540 0.295218 BFGS: 952 17:48:00 2.828944 0.293724 BFGS: 953 17:48:00 2.800564 0.292234 BFGS: 954 17:48:00 2.772400 0.290749 BFGS: 955 17:48:00 2.744452 0.289269 BFGS: 956 17:48:00 2.716718 0.287793 BFGS: 957 17:48:00 2.689198 0.286321 BFGS: 958 17:48:00 2.661892 0.284854 BFGS: 959 17:48:00 2.634798 0.283392 BFGS: 960 17:48:00 2.607916 0.281934 BFGS: 961 17:48:00 2.581246 0.280480 BFGS: 962 17:48:00 2.554787 0.279031 BFGS: 963 17:48:00 2.528538 0.277586 BFGS: 964 17:48:00 2.502498 0.276146 BFGS: 965 17:48:00 2.476668 0.274710 BFGS: 966 17:48:00 2.451046 0.273278 BFGS: 967 17:48:00 2.425631 0.271850 BFGS: 968 17:48:00 2.400424 0.270427 BFGS: 969 17:48:00 2.375424 0.269009 BFGS: 970 17:48:00 2.350629 0.267594 BFGS: 971 17:48:00 2.326039 0.266184 BFGS: 972 17:48:00 2.301655 0.264778 BFGS: 973 17:48:00 2.277474 0.263376 BFGS: 974 17:48:00 2.253497 0.261979 BFGS: 975 17:48:00 2.229723 0.260586 BFGS: 976 17:48:00 2.206151 0.259197 BFGS: 977 17:48:00 2.182781 0.257812 BFGS: 978 17:48:00 2.159612 0.256431 BFGS: 979 17:48:00 2.136643 0.255055 BFGS: 980 17:48:00 2.113875 0.253682 BFGS: 981 17:48:00 2.091305 0.252314 BFGS: 982 17:48:00 2.068935 0.250950 BFGS: 983 17:48:00 2.046763 0.249590 BFGS: 984 17:48:00 2.024788 0.248234 BFGS: 985 17:48:00 2.003011 0.246882 BFGS: 986 17:48:00 1.981430 0.245535 BFGS: 987 17:48:00 1.960044 0.244191 BFGS: 988 17:48:00 1.938854 0.242851 BFGS: 989 17:48:00 1.917859 0.241515 BFGS: 990 17:48:00 1.897058 0.240184 BFGS: 991 17:48:00 1.876451 0.238856 BFGS: 992 17:48:00 1.856036 0.237532 BFGS: 993 17:48:00 1.835814 0.236213 BFGS: 994 17:48:00 1.815784 0.234897 BFGS: 995 17:48:00 1.795946 0.233585 BFGS: 996 17:48:00 1.776298 0.232277 BFGS: 997 17:48:00 1.756840 0.230973 BFGS: 998 17:48:00 1.737572 0.229673 BFGS: 999 17:48:00 1.718493 0.228377 BFGS: 1000 17:48:00 1.699602 0.227084 BFGS: 1001 17:48:00 1.680900 0.225796 BFGS: 1002 17:48:00 1.662385 0.224511 BFGS: 1003 17:48:00 1.644057 0.223230 BFGS: 1004 17:48:00 1.625915 0.221953 BFGS: 1005 17:48:00 1.607959 0.220680 BFGS: 1006 17:48:00 1.590188 0.219410 BFGS: 1007 17:48:00 1.572602 0.218145 BFGS: 1008 17:48:00 1.555200 0.216883 BFGS: 1009 17:48:00 1.537982 0.215625 BFGS: 1010 17:48:00 1.520946 0.214370 BFGS: 1011 17:48:00 1.504094 0.213119 BFGS: 1012 17:48:00 1.487423 0.211872 BFGS: 1013 17:48:00 1.470934 0.210629 BFGS: 1014 17:48:00 1.454626 0.209390 BFGS: 1015 17:48:00 1.438498 0.208154 BFGS: 1016 17:48:00 1.422550 0.206921 BFGS: 1017 17:48:00 1.406781 0.205693 BFGS: 1018 17:48:00 1.391192 0.204468 BFGS: 1019 17:48:01 1.375780 0.203247 BFGS: 1020 17:48:01 1.360547 0.202029 BFGS: 1021 17:48:01 1.345490 0.200815 BFGS: 1022 17:48:01 1.330610 0.199604 BFGS: 1023 17:48:01 1.315907 0.198397 BFGS: 1024 17:48:01 1.301379 0.197194 BFGS: 1025 17:48:01 1.287027 0.195994 BFGS: 1026 17:48:01 1.272849 0.194798 BFGS: 1027 17:48:01 1.258845 0.193605 BFGS: 1028 17:48:01 1.245015 0.192416 BFGS: 1029 17:48:01 1.231358 0.191231 BFGS: 1030 17:48:01 1.217873 0.190048 BFGS: 1031 17:48:01 1.204561 0.188870 BFGS: 1032 17:48:01 1.191420 0.187695 BFGS: 1033 17:48:01 1.178450 0.186523 BFGS: 1034 17:48:01 1.165651 0.185355 BFGS: 1035 17:48:01 1.153022 0.184190 BFGS: 1036 17:48:01 1.140563 0.183028 BFGS: 1037 17:48:01 1.128272 0.181870 BFGS: 1038 17:48:01 1.116151 0.180716 BFGS: 1039 17:48:01 1.104197 0.179565 BFGS: 1040 17:48:01 1.092410 0.178417 BFGS: 1041 17:48:01 1.080786 0.177273 BFGS: 1042 17:48:01 1.069255 0.176132 BFGS: 1043 17:48:01 1.057797 0.174994 BFGS: 1044 17:48:01 1.046412 0.173859 BFGS: 1045 17:48:01 1.035099 0.172728 BFGS: 1046 17:48:01 1.023858 0.171600 BFGS: 1047 17:48:01 1.012690 0.170475 BFGS: 1048 17:48:01 1.001593 0.169354 BFGS: 1049 17:48:01 0.990568 0.168236 BFGS: 1050 17:48:01 0.979614 0.167121 BFGS: 1051 17:48:01 0.968731 0.166009 BFGS: 1052 17:48:01 0.957920 0.164900 BFGS: 1053 17:48:01 0.947179 0.163795 BFGS: 1054 17:48:01 0.936509 0.162692 BFGS: 1055 17:48:01 0.925910 0.161593 BFGS: 1056 17:48:01 0.915381 0.160497 BFGS: 1057 17:48:01 0.904923 0.159405 BFGS: 1058 17:48:01 0.894534 0.158315 BFGS: 1059 17:48:01 0.884215 0.157229 BFGS: 1060 17:48:01 0.873966 0.156145 BFGS: 1061 17:48:01 0.863786 0.155065 BFGS: 1062 17:48:01 0.853676 0.153988 BFGS: 1063 17:48:01 0.843634 0.152914 BFGS: 1064 17:48:01 0.833662 0.151843 BFGS: 1065 17:48:01 0.823758 0.150775 BFGS: 1066 17:48:01 0.813923 0.149711 BFGS: 1067 17:48:01 0.804156 0.148649 BFGS: 1068 17:48:01 0.794458 0.147591 BFGS: 1069 17:48:01 0.784827 0.146535 BFGS: 1070 17:48:01 0.775264 0.145483 BFGS: 1071 17:48:01 0.765769 0.144433 BFGS: 1072 17:48:01 0.756342 0.143387 BFGS: 1073 17:48:01 0.746982 0.142343 BFGS: 1074 17:48:01 0.737689 0.141303 BFGS: 1075 17:48:01 0.728462 0.140265 BFGS: 1076 17:48:01 0.719303 0.139231 BFGS: 1077 17:48:01 0.710210 0.138200 BFGS: 1078 17:48:01 0.701184 0.137171 BFGS: 1079 17:48:01 0.692224 0.136146 BFGS: 1080 17:48:01 0.683330 0.135123 BFGS: 1081 17:48:01 0.674502 0.134104 BFGS: 1082 17:48:01 0.665740 0.133087 BFGS: 1083 17:48:01 0.657043 0.132073 BFGS: 1084 17:48:01 0.648412 0.131062 BFGS: 1085 17:48:01 0.639845 0.130055 BFGS: 1086 17:48:01 0.631344 0.129050 BFGS: 1087 17:48:01 0.622908 0.128047 BFGS: 1088 17:48:01 0.614536 0.127048 BFGS: 1089 17:48:01 0.606229 0.126052 BFGS: 1090 17:48:01 0.597986 0.125058 BFGS: 1091 17:48:01 0.589808 0.124068 BFGS: 1092 17:48:01 0.581693 0.123080 BFGS: 1093 17:48:01 0.573642 0.122095 BFGS: 1094 17:48:01 0.565655 0.121113 BFGS: 1095 17:48:01 0.557732 0.120134 BFGS: 1096 17:48:01 0.549871 0.119157 BFGS: 1097 17:48:01 0.542074 0.118184 BFGS: 1098 17:48:01 0.534340 0.117213 BFGS: 1099 17:48:01 0.526669 0.116245 BFGS: 1100 17:48:01 0.519060 0.115280 BFGS: 1101 17:48:01 0.511514 0.114317 BFGS: 1102 17:48:01 0.504030 0.113357 BFGS: 1103 17:48:01 0.496608 0.112400 BFGS: 1104 17:48:01 0.489248 0.111446 BFGS: 1105 17:48:01 0.481950 0.110495 BFGS: 1106 17:48:01 0.474714 0.109546 BFGS: 1107 17:48:01 0.467539 0.108600 BFGS: 1108 17:48:01 0.460425 0.107657 BFGS: 1109 17:48:01 0.453373 0.106716 BFGS: 1110 17:48:01 0.446381 0.105778 BFGS: 1111 17:48:01 0.439451 0.104843 BFGS: 1112 17:48:01 0.432581 0.103910 BFGS: 1113 17:48:01 0.425771 0.102981 BFGS: 1114 17:48:01 0.419022 0.102053 BFGS: 1115 17:48:01 0.412333 0.101129 BFGS: 1116 17:48:01 0.405704 0.100207 BFGS: 1117 17:48:01 0.399135 0.099288 BFGS: 1118 17:48:01 0.392626 0.098371 BFGS: 1119 17:48:01 0.386176 0.097457 BFGS: 1120 17:48:01 0.379785 0.096546 BFGS: 1121 17:48:01 0.373454 0.095637 BFGS: 1122 17:48:01 0.367182 0.094731 BFGS: 1123 17:48:01 0.360969 0.093827 BFGS: 1124 17:48:01 0.354814 0.092926 BFGS: 1125 17:48:01 0.348718 0.092028 BFGS: 1126 17:48:01 0.342680 0.091132 BFGS: 1127 17:48:01 0.336701 0.090239 BFGS: 1128 17:48:02 0.330780 0.089348 BFGS: 1129 17:48:02 0.324917 0.088460 BFGS: 1130 17:48:02 0.319111 0.087574 BFGS: 1131 17:48:02 0.313364 0.086691 BFGS: 1132 17:48:02 0.307673 0.085810 BFGS: 1133 17:48:02 0.302040 0.084932 BFGS: 1134 17:48:02 0.296465 0.084057 BFGS: 1135 17:48:02 0.290946 0.083184 BFGS: 1136 17:48:02 0.285484 0.082313 BFGS: 1137 17:48:02 0.280079 0.081445 BFGS: 1138 17:48:02 0.274731 0.080579 BFGS: 1139 17:48:02 0.269439 0.079716 BFGS: 1140 17:48:02 0.264203 0.078855 BFGS: 1141 17:48:02 0.259023 0.077997 BFGS: 1142 17:48:02 0.253899 0.077141 BFGS: 1143 17:48:02 0.248832 0.076288 BFGS: 1144 17:48:02 0.243819 0.075437 BFGS: 1145 17:48:02 0.238863 0.074589 BFGS: 1146 17:48:02 0.233962 0.073743 BFGS: 1147 17:48:02 0.229116 0.072899 BFGS: 1148 17:48:02 0.224325 0.072058 BFGS: 1149 17:48:02 0.219589 0.071219 BFGS: 1150 17:48:02 0.214908 0.070382 BFGS: 1151 17:48:02 0.210281 0.069548 BFGS: 1152 17:48:02 0.205709 0.068717 BFGS: 1153 17:48:02 0.201192 0.067887 BFGS: 1154 17:48:02 0.196728 0.067060 BFGS: 1155 17:48:02 0.192319 0.066236 BFGS: 1156 17:48:02 0.187964 0.065413 BFGS: 1157 17:48:02 0.183662 0.064593 BFGS: 1158 17:48:02 0.179414 0.063776 BFGS: 1159 17:48:02 0.175220 0.062961 BFGS: 1160 17:48:02 0.171079 0.062148 BFGS: 1161 17:48:02 0.166991 0.061337 BFGS: 1162 17:48:02 0.162956 0.060529 BFGS: 1163 17:48:02 0.158974 0.059723 BFGS: 1164 17:48:02 0.155045 0.058919 BFGS: 1165 17:48:02 0.151169 0.058117 BFGS: 1166 17:48:02 0.147345 0.057318 BFGS: 1167 17:48:02 0.143573 0.056521 BFGS: 1168 17:48:02 0.139854 0.055727 BFGS: 1169 17:48:02 0.136187 0.054934 BFGS: 1170 17:48:02 0.132572 0.054144 BFGS: 1171 17:48:02 0.129009 0.053356 BFGS: 1172 17:48:02 0.125497 0.052571 BFGS: 1173 17:48:02 0.122037 0.051787 BFGS: 1174 17:48:02 0.118628 0.051006 BFGS: 1175 17:48:02 0.115271 0.050227 BFGS: 1176 17:48:02 0.111965 0.049450 BFGS: 1177 17:48:02 0.108709 0.048676 BFGS: 1178 17:48:02 0.105505 0.047904 BFGS: 1179 17:48:02 0.102352 0.047133 BFGS: 1180 17:48:02 0.099249 0.046365 BFGS: 1181 17:48:02 0.096196 0.045600 BFGS: 1182 17:48:02 0.093194 0.044836 BFGS: 1183 17:48:02 0.090242 0.044075 BFGS: 1184 17:48:02 0.087340 0.043315 BFGS: 1185 17:48:02 0.084488 0.042558 BFGS: 1186 17:48:02 0.081686 0.041803 BFGS: 1187 17:48:02 0.078934 0.041050 BFGS: 1188 17:48:02 0.076231 0.040300 BFGS: 1189 17:48:02 0.073578 0.039551 BFGS: 1190 17:48:02 0.070974 0.038805 BFGS: 1191 17:48:02 0.068419 0.038060 BFGS: 1192 17:48:02 0.065913 0.037318 BFGS: 1193 17:48:02 0.063456 0.036578 BFGS: 1194 17:48:02 0.061048 0.035840 BFGS: 1195 17:48:02 0.058688 0.035104 BFGS: 1196 17:48:02 0.056377 0.034370 BFGS: 1197 17:48:02 0.054115 0.033639 BFGS: 1198 17:48:02 0.051901 0.032909 BFGS: 1199 17:48:02 0.049734 0.032181 BFGS: 1200 17:48:02 0.047616 0.031456 BFGS: 1201 17:48:02 0.045546 0.030732 BFGS: 1202 17:48:02 0.043524 0.030011 BFGS: 1203 17:48:02 0.041549 0.029292 BFGS: 1204 17:48:02 0.039622 0.028574 BFGS: 1205 17:48:02 0.037742 0.027859 BFGS: 1206 17:48:02 0.035909 0.027146 BFGS: 1207 17:48:02 0.034124 0.026435 BFGS: 1208 17:48:02 0.032385 0.025725 BFGS: 1209 17:48:02 0.030694 0.025018 BFGS: 1210 17:48:02 0.029049 0.024313 BFGS: 1211 17:48:02 0.027451 0.023610 BFGS: 1212 17:48:02 0.025900 0.022909 BFGS: 1213 17:48:02 0.024395 0.022210 BFGS: 1214 17:48:02 0.022936 0.021512 BFGS: 1215 17:48:02 0.021523 0.020817 BFGS: 1216 17:48:02 0.020157 0.020124 BFGS: 1217 17:48:02 0.018836 0.019433 BFGS: 1218 17:48:02 0.017561 0.018743 BFGS: 1219 17:48:02 0.016332 0.018056 BFGS: 1220 17:48:02 0.015149 0.017371 BFGS: 1221 17:48:02 0.014011 0.016687 BFGS: 1222 17:48:02 0.012918 0.016006 BFGS: 1223 17:48:02 0.011871 0.015326 BFGS: 1224 17:48:02 0.010869 0.014649 BFGS: 1225 17:48:02 0.009911 0.013973 BFGS: 1226 17:48:02 0.008999 0.013299 BFGS: 1227 17:48:02 0.008132 0.012627 BFGS: 1228 17:48:02 0.007309 0.011957 BFGS: 1229 17:48:02 0.006530 0.011289 BFGS: 1230 17:48:02 0.005796 0.010623 BFGS: 1231 17:48:02 0.005107 0.009959 BFGS: 1232 17:48:02 0.004461 0.009297 BFGS: 1233 17:48:02 0.003860 0.008637 BFGS: 1234 17:48:02 0.003303 0.007978 BFGS: 1235 17:48:02 0.002789 0.007321 BFGS: 1236 17:48:02 0.002319 0.006667 BFGS: 1237 17:48:02 0.001893 0.006194 BFGS: 1238 17:48:02 0.001511 0.005807 BFGS: 1239 17:48:02 0.001172 0.005414 BFGS: 1240 17:48:02 0.000876 0.005014 BFGS: 1241 17:48:02 0.000623 0.004605 BFGS: 1242 17:48:02 0.000414 0.004187 BFGS: 1243 17:48:02 0.000247 0.003756 BFGS: 1244 17:48:02 0.000123 0.003309 BFGS: 1245 17:48:02 0.000043 0.002839 BFGS: 1246 17:48:02 0.000004 0.002328 BFGS: 1247 17:48:02 0.000000 0.000947 BFGS: 1248 17:48:02 0.000000 0.000374 BFGS: 1249 17:48:02 0.000000 0.000223 BFGS: 1250 17:48:02 0.000000 0.000000 BFGS: 1251 17:48:02 0.000000 0.000000 Minimization converged after 1251 steps. Maximum force component: 2.1338939685557685e-13 eV/Angstrom Maximum stress component: 6.537744071071042e-16 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 1.89002021e-29 2.02273697e-01] [7.19773107e-30 1.18555813e-28 7.02273697e-01] [1.07552784e-29 6.61507072e-29 7.97726303e-01] [5.76595058e-31 5.02573555e-29 2.97726303e-01] [3.33333333e-01 6.66666667e-01 5.35603346e-01] [6.66666667e-01 3.33333333e-01 3.56033463e-02] [6.66666667e-01 3.33333333e-01 4.64396654e-01] [3.33333333e-01 6.66666667e-01 9.64396654e-01] [3.33333333e-01 6.66666667e-01 6.31068176e-01] [6.66666667e-01 3.33333333e-01 1.31068176e-01] [6.66666667e-01 3.33333333e-01 3.68931824e-01] [3.33333333e-01 6.66666667e-01 8.68931824e-01]] cellpar = Cell([[8.482346763554338, -9.644698886791882e-16, -1.8283297011255876e-14], [-4.241173381777169, 7.345927780946776, 1.7914131931285956e-14], [-9.682108374680333e-14, 5.858808198627845e-14, 77.00156380628356]]) forces = [[ 2.68313936e-28 -1.62361319e-28 -2.13389397e-13] [ 2.68313936e-28 -1.62361319e-28 -2.13389397e-13] [-2.68313936e-28 1.62361319e-28 2.13389397e-13] [-2.68313936e-28 1.62361319e-28 2.13389397e-13] [ 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] [ 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]] stress = [-6.13777042e-45 -5.37004338e-45 -6.53774407e-16 4.52484066e-31 -8.40631974e-31 5.81810132e-46] 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