element(s): ['C'] AFLOW prototype label: A_oC8_65_gh Parameter names: ['a', 'b/a', 'c/a', 'x1', 'x2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.8193', '0.34531224', '0.32109012', '0.5860263', '0.68934767'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.5860263 0. 0. ] [0.68934767 0. 0.5 ]] spacegroup = 65 cell = [[7.8193, 0, 0], [0, 2.7001, 0], [0, 0, 2.5107]] ========================================= Step Time Energy fmax BFGS: 0 16:43:40 1002.350631 268.6218 BFGS: 1 16:43:40 960.255995 233.1148 BFGS: 2 16:43:40 933.156338 227.2069 BFGS: 3 16:43:40 911.926951 220.3589 BFGS: 4 16:43:40 885.872593 211.9704 BFGS: 5 16:43:40 863.359205 204.7243 BFGS: 6 16:43:40 843.808030 198.5702 BFGS: 7 16:43:40 826.564244 193.2638 BFGS: 8 16:43:40 811.195136 188.6308 BFGS: 9 16:43:40 797.497883 184.6038 BFGS: 10 16:43:40 785.296777 181.1042 BFGS: 11 16:43:40 774.416596 178.0633 BFGS: 12 16:43:40 764.699417 175.4215 BFGS: 13 16:43:40 755.987786 173.1104 BFGS: 14 16:43:40 748.134649 171.0637 BFGS: 15 16:43:40 740.960704 169.2101 BFGS: 16 16:43:40 734.300622 167.4904 BFGS: 17 16:43:40 727.997739 165.8439 BFGS: 18 16:43:40 721.934708 164.2293 BFGS: 19 16:43:40 716.040868 162.6299 BFGS: 20 16:43:40 710.285463 161.0318 BFGS: 21 16:43:40 704.652260 159.4296 BFGS: 22 16:43:40 699.133920 157.8226 BFGS: 23 16:43:40 693.725514 156.2160 BFGS: 24 16:43:40 688.420678 154.6082 BFGS: 25 16:43:40 683.211972 153.0000 BFGS: 26 16:43:40 678.090273 151.3922 BFGS: 27 16:43:40 673.045573 149.7863 BFGS: 28 16:43:40 668.066846 148.1829 BFGS: 29 16:43:40 663.137359 146.5784 BFGS: 30 16:43:40 658.242639 144.9732 BFGS: 31 16:43:40 653.369328 143.3789 BFGS: 32 16:43:40 648.502936 141.7805 BFGS: 33 16:43:40 643.634226 140.1731 BFGS: 34 16:43:40 638.756023 138.5544 BFGS: 35 16:43:40 633.863921 136.9232 BFGS: 36 16:43:40 628.953648 135.2803 BFGS: 37 16:43:40 624.020269 133.6433 BFGS: 38 16:43:40 619.054639 131.9883 BFGS: 39 16:43:40 614.056318 130.3172 BFGS: 40 16:43:40 609.024120 128.6333 BFGS: 41 16:43:40 603.958067 126.9419 BFGS: 42 16:43:40 598.860867 125.2436 BFGS: 43 16:43:40 593.730622 123.5391 BFGS: 44 16:43:40 588.570561 121.8316 BFGS: 45 16:43:40 583.381272 120.1219 BFGS: 46 16:43:40 578.164977 118.4119 BFGS: 47 16:43:40 572.924228 116.7032 BFGS: 48 16:43:40 567.663579 114.9979 BFGS: 49 16:43:40 562.393668 113.3022 BFGS: 50 16:43:40 557.127129 111.6249 BFGS: 51 16:43:40 551.875123 109.9667 BFGS: 52 16:43:40 546.650156 108.3324 BFGS: 53 16:43:40 541.466112 106.7288 BFGS: 54 16:43:40 536.347011 105.1617 BFGS: 55 16:43:40 531.308396 103.6407 BFGS: 56 16:43:40 526.368786 102.1734 BFGS: 57 16:43:40 521.544791 100.7549 BFGS: 58 16:43:40 516.849899 99.3880 BFGS: 59 16:43:40 512.295419 98.0750 BFGS: 60 16:43:40 507.889512 96.8177 BFGS: 61 16:43:40 503.640944 95.6197 BFGS: 62 16:43:40 499.550715 94.4828 BFGS: 63 16:43:40 495.616855 93.4089 BFGS: 64 16:43:40 491.834695 92.3906 BFGS: 65 16:43:40 488.198525 91.4259 BFGS: 66 16:43:40 484.701271 90.5123 BFGS: 67 16:43:40 481.335003 89.6470 BFGS: 68 16:43:40 478.091366 88.8270 BFGS: 69 16:43:40 474.961925 88.0494 BFGS: 70 16:43:40 471.938418 87.3109 BFGS: 71 16:43:40 469.012898 86.6087 BFGS: 72 16:43:40 466.178842 85.9407 BFGS: 73 16:43:40 463.429057 85.5270 BFGS: 74 16:43:41 460.756958 85.2346 BFGS: 75 16:43:41 458.156428 84.9404 BFGS: 76 16:43:41 455.622257 84.6446 BFGS: 77 16:43:41 453.149599 84.3473 BFGS: 78 16:43:41 450.733933 84.0516 BFGS: 79 16:43:41 448.371909 83.7564 BFGS: 80 16:43:41 446.060260 83.4599 BFGS: 81 16:43:41 443.795587 83.1629 BFGS: 82 16:43:41 441.574587 82.8653 BFGS: 83 16:43:41 439.394569 82.5671 BFGS: 84 16:43:41 437.253171 82.2687 BFGS: 85 16:43:41 435.148279 81.9701 BFGS: 86 16:43:41 433.078003 81.6716 BFGS: 87 16:43:41 431.040648 81.3734 BFGS: 88 16:43:41 429.034697 81.0755 BFGS: 89 16:43:41 427.058787 80.7783 BFGS: 90 16:43:41 425.111698 80.4818 BFGS: 91 16:43:41 423.192331 80.1862 BFGS: 92 16:43:41 421.299700 79.8915 BFGS: 93 16:43:41 419.432920 79.5980 BFGS: 94 16:43:41 417.591195 79.3056 BFGS: 95 16:43:41 415.773810 79.0146 BFGS: 96 16:43:41 413.980122 78.7250 BFGS: 97 16:43:41 412.209555 78.4369 BFGS: 98 16:43:41 410.461593 78.1504 BFGS: 99 16:43:41 408.735495 77.8714 BFGS: 100 16:43:41 407.031937 77.5942 BFGS: 101 16:43:41 405.350348 77.3195 BFGS: 102 16:43:41 403.690420 77.0465 BFGS: 103 16:43:41 402.051742 76.7808 BFGS: 104 16:43:41 400.434074 76.5203 BFGS: 105 16:43:41 398.837182 76.2615 BFGS: 106 16:43:41 397.260642 76.0068 BFGS: 107 16:43:41 395.703894 75.7580 BFGS: 108 16:43:41 394.166658 75.5149 BFGS: 109 16:43:41 392.648619 75.2739 BFGS: 110 16:43:41 391.149616 75.0348 BFGS: 111 16:43:41 389.669515 74.7977 BFGS: 112 16:43:41 388.208247 74.5628 BFGS: 113 16:43:41 386.765751 74.3304 BFGS: 114 16:43:41 385.341637 74.1020 BFGS: 115 16:43:41 383.936448 73.8759 BFGS: 116 16:43:41 382.550352 73.6519 BFGS: 117 16:43:41 381.183175 73.4299 BFGS: 118 16:43:41 379.834721 73.2101 BFGS: 119 16:43:41 378.505009 72.9925 BFGS: 120 16:43:41 377.193968 72.7772 BFGS: 121 16:43:41 375.901533 72.5642 BFGS: 122 16:43:41 374.627661 72.3535 BFGS: 123 16:43:41 373.372332 72.1451 BFGS: 124 16:43:41 372.135543 71.9391 BFGS: 125 16:43:41 370.917303 71.7356 BFGS: 126 16:43:41 369.717597 71.5345 BFGS: 127 16:43:41 368.536362 71.3358 BFGS: 128 16:43:41 367.373568 71.1406 BFGS: 129 16:43:41 366.228989 70.9491 BFGS: 130 16:43:41 365.103296 70.7600 BFGS: 131 16:43:41 363.996418 70.5735 BFGS: 132 16:43:41 362.908294 70.3894 BFGS: 133 16:43:41 361.838867 70.2094 BFGS: 134 16:43:41 360.788102 70.0342 BFGS: 135 16:43:41 359.755992 69.8619 BFGS: 136 16:43:41 358.742470 69.6921 BFGS: 137 16:43:41 357.747443 69.5248 BFGS: 138 16:43:41 356.770811 69.3602 BFGS: 139 16:43:41 355.812452 69.1981 BFGS: 140 16:43:41 354.872227 69.0387 BFGS: 141 16:43:41 353.949972 68.8819 BFGS: 142 16:43:41 353.045496 68.7278 BFGS: 143 16:43:41 352.158576 68.5764 BFGS: 144 16:43:41 351.288954 68.4276 BFGS: 145 16:43:41 350.436336 68.2816 BFGS: 146 16:43:41 349.600392 68.1384 BFGS: 147 16:43:41 348.780746 67.9979 BFGS: 148 16:43:41 347.976983 67.8602 BFGS: 149 16:43:41 347.188645 67.7253 BFGS: 150 16:43:41 346.415232 67.6959 BFGS: 151 16:43:41 345.656199 67.7359 BFGS: 152 16:43:41 344.910965 67.7807 BFGS: 153 16:43:41 344.178909 67.8299 BFGS: 154 16:43:41 343.459374 67.8830 BFGS: 155 16:43:41 342.751637 67.9419 BFGS: 156 16:43:41 342.054854 68.0060 BFGS: 157 16:43:41 341.368332 68.0725 BFGS: 158 16:43:41 340.691330 68.1406 BFGS: 159 16:43:41 340.023098 68.2100 BFGS: 160 16:43:41 339.362896 68.2817 BFGS: 161 16:43:41 338.709942 68.3533 BFGS: 162 16:43:41 338.063493 68.4242 BFGS: 163 16:43:41 337.422822 68.4937 BFGS: 164 16:43:41 336.787219 68.5613 BFGS: 165 16:43:41 336.155963 68.6270 BFGS: 166 16:43:41 335.528441 68.6905 BFGS: 167 16:43:41 334.904126 68.7508 BFGS: 168 16:43:41 334.282409 68.8075 BFGS: 169 16:43:41 333.662724 68.8600 BFGS: 170 16:43:41 333.044545 68.9079 BFGS: 171 16:43:41 332.427391 68.9508 BFGS: 172 16:43:41 331.810821 68.9884 BFGS: 173 16:43:41 331.194439 69.0202 BFGS: 174 16:43:41 330.577884 69.0461 BFGS: 175 16:43:41 329.960841 69.0658 BFGS: 176 16:43:41 329.343028 69.0791 BFGS: 177 16:43:41 328.724200 69.0858 BFGS: 178 16:43:41 328.104148 69.0858 BFGS: 179 16:43:41 327.482693 69.0790 BFGS: 180 16:43:41 326.859687 69.0653 BFGS: 181 16:43:41 326.235010 69.0447 BFGS: 182 16:43:41 325.608567 69.0171 BFGS: 183 16:43:41 324.980288 68.9827 BFGS: 184 16:43:41 324.350122 68.9414 BFGS: 185 16:43:41 323.718041 68.8932 BFGS: 186 16:43:41 323.084032 68.8383 BFGS: 187 16:43:41 322.448086 68.7768 BFGS: 188 16:43:41 321.810243 68.7089 BFGS: 189 16:43:41 321.170794 68.6351 BFGS: 190 16:43:41 320.529760 68.5555 BFGS: 191 16:43:41 319.887173 68.4703 BFGS: 192 16:43:41 319.243075 68.3794 BFGS: 193 16:43:41 318.597516 68.2832 BFGS: 194 16:43:41 317.950553 68.1816 BFGS: 195 16:43:41 317.302250 68.0749 BFGS: 196 16:43:41 316.652674 67.9631 BFGS: 197 16:43:41 316.001896 67.8464 BFGS: 198 16:43:41 315.349989 67.7251 BFGS: 199 16:43:41 314.697030 67.5991 BFGS: 200 16:43:41 314.043095 67.4687 BFGS: 201 16:43:41 313.388252 67.3355 BFGS: 202 16:43:41 312.732428 67.2029 BFGS: 203 16:43:41 312.075919 67.0665 BFGS: 204 16:43:41 311.418803 66.9265 BFGS: 205 16:43:41 310.761158 66.7831 BFGS: 206 16:43:41 310.103056 66.6364 BFGS: 207 16:43:41 309.444567 66.4865 BFGS: 208 16:43:41 308.785759 66.3337 BFGS: 209 16:43:41 308.126694 66.1779 BFGS: 210 16:43:41 307.467433 66.0195 BFGS: 211 16:43:41 306.808032 65.8584 BFGS: 212 16:43:41 306.148525 65.6967 BFGS: 213 16:43:41 305.488907 65.6882 BFGS: 214 16:43:41 304.829406 65.7066 BFGS: 215 16:43:41 304.170062 65.7245 BFGS: 216 16:43:41 303.510843 65.7444 BFGS: 217 16:43:41 302.852028 65.7645 BFGS: 218 16:43:41 302.193773 65.7836 BFGS: 219 16:43:41 301.536086 65.8017 BFGS: 220 16:43:41 300.878972 65.8186 BFGS: 221 16:43:41 300.222435 65.8344 BFGS: 222 16:43:41 299.566480 65.8490 BFGS: 223 16:43:41 298.911108 65.8624 BFGS: 224 16:43:41 298.256321 65.8746 BFGS: 225 16:43:41 297.602115 65.8857 BFGS: 226 16:43:41 296.948485 65.8955 BFGS: 227 16:43:41 296.295417 65.9052 BFGS: 228 16:43:41 295.642826 65.9137 BFGS: 229 16:43:41 294.990701 65.9213 BFGS: 230 16:43:41 294.338990 65.9278 BFGS: 231 16:43:41 293.687668 65.9330 BFGS: 232 16:43:41 293.036746 65.9368 BFGS: 233 16:43:41 292.386228 65.9393 BFGS: 234 16:43:41 291.736119 65.9404 BFGS: 235 16:43:41 291.086348 65.9410 BFGS: 236 16:43:41 290.437189 65.9400 BFGS: 237 16:43:41 289.788628 65.9374 BFGS: 238 16:43:41 289.140650 65.9332 BFGS: 239 16:43:41 288.493243 65.9273 BFGS: 240 16:43:41 287.846392 65.9199 BFGS: 241 16:43:41 287.200083 65.9108 BFGS: 242 16:43:41 286.554288 65.9004 BFGS: 243 16:43:41 285.909026 65.8889 BFGS: 244 16:43:41 285.264461 65.8756 BFGS: 245 16:43:41 284.620566 65.8605 BFGS: 246 16:43:41 283.977314 65.8436 BFGS: 247 16:43:41 283.334681 65.8249 BFGS: 248 16:43:41 282.692645 65.8045 BFGS: 249 16:43:41 282.051184 65.7824 BFGS: 250 16:43:41 281.410277 65.7584 BFGS: 251 16:43:41 280.769905 65.7327 BFGS: 252 16:43:41 280.130049 65.7052 BFGS: 253 16:43:41 279.490691 65.6760 BFGS: 254 16:43:41 278.851800 65.6450 BFGS: 255 16:43:41 278.213398 65.6122 BFGS: 256 16:43:41 277.575555 65.5776 BFGS: 257 16:43:41 276.938251 65.5413 BFGS: 258 16:43:41 276.301440 65.5040 BFGS: 259 16:43:41 275.665072 65.4665 BFGS: 260 16:43:41 275.029956 65.4271 BFGS: 261 16:43:41 274.396198 65.3859 BFGS: 262 16:43:41 273.763712 65.3427 BFGS: 263 16:43:41 273.132511 65.2978 BFGS: 264 16:43:41 272.502597 65.2510 BFGS: 265 16:43:41 271.873911 65.2025 BFGS: 266 16:43:41 271.246397 65.1522 BFGS: 267 16:43:41 270.620008 65.1002 BFGS: 268 16:43:41 269.994695 65.0466 BFGS: 269 16:43:41 269.370411 64.9913 BFGS: 270 16:43:41 268.747095 64.9345 BFGS: 271 16:43:41 268.124703 64.8761 BFGS: 272 16:43:41 267.503204 64.8162 BFGS: 273 16:43:42 266.882567 64.7548 BFGS: 274 16:43:42 266.262765 64.6919 BFGS: 275 16:43:42 265.643771 64.6275 BFGS: 276 16:43:42 265.025560 64.5617 BFGS: 277 16:43:42 264.408103 64.4945 BFGS: 278 16:43:42 263.791363 64.4259 BFGS: 279 16:43:42 263.175602 64.3562 BFGS: 280 16:43:42 262.560742 64.2852 BFGS: 281 16:43:42 261.946741 64.2129 BFGS: 282 16:43:42 261.333576 64.1393 BFGS: 283 16:43:42 260.721221 64.0644 BFGS: 284 16:43:42 260.109657 63.9883 BFGS: 285 16:43:42 259.498862 63.9110 BFGS: 286 16:43:42 258.888820 63.8324 BFGS: 287 16:43:42 258.279512 63.7527 BFGS: 288 16:43:42 257.670923 63.6717 BFGS: 289 16:43:42 257.063038 63.5896 BFGS: 290 16:43:42 256.455845 63.5064 BFGS: 291 16:43:42 255.849330 63.4221 BFGS: 292 16:43:42 255.243483 63.3366 BFGS: 293 16:43:42 254.638292 63.2500 BFGS: 294 16:43:42 254.033749 63.1624 BFGS: 295 16:43:42 253.429844 63.0737 BFGS: 296 16:43:42 252.826570 62.9839 BFGS: 297 16:43:42 252.223918 62.8931 BFGS: 298 16:43:42 251.621883 62.8013 BFGS: 299 16:43:42 251.020459 62.7085 BFGS: 300 16:43:42 250.419640 62.6146 BFGS: 301 16:43:42 249.819421 62.5198 BFGS: 302 16:43:42 249.219799 62.4240 BFGS: 303 16:43:42 248.620769 62.3272 BFGS: 304 16:43:42 248.022329 62.2295 BFGS: 305 16:43:42 247.424475 62.1309 BFGS: 306 16:43:42 246.827206 62.0313 BFGS: 307 16:43:42 246.230519 61.9307 BFGS: 308 16:43:42 245.634413 61.8293 BFGS: 309 16:43:42 245.038888 61.7270 BFGS: 310 16:43:42 244.443941 61.6238 BFGS: 311 16:43:42 243.849574 61.5197 BFGS: 312 16:43:42 243.255785 61.4147 BFGS: 313 16:43:42 242.662576 61.3089 BFGS: 314 16:43:42 242.069946 61.2022 BFGS: 315 16:43:42 241.477897 61.0947 BFGS: 316 16:43:42 240.886430 60.9863 BFGS: 317 16:43:42 240.295546 60.8772 BFGS: 318 16:43:42 239.705247 60.7672 BFGS: 319 16:43:42 239.115534 60.6564 BFGS: 320 16:43:42 238.526409 60.5448 BFGS: 321 16:43:42 237.937876 60.4324 BFGS: 322 16:43:42 237.349935 60.3193 BFGS: 323 16:43:42 236.762590 60.2054 BFGS: 324 16:43:42 236.175844 60.0907 BFGS: 325 16:43:42 235.589688 59.9753 BFGS: 326 16:43:42 235.004103 59.8591 BFGS: 327 16:43:42 234.419094 59.7423 BFGS: 328 16:43:42 233.834666 59.6247 BFGS: 329 16:43:42 233.250823 59.5064 BFGS: 330 16:43:42 232.667563 59.3876 BFGS: 331 16:43:42 232.084809 59.2683 BFGS: 332 16:43:42 231.502530 59.1486 BFGS: 333 16:43:42 230.920745 59.0285 BFGS: 334 16:43:42 230.339473 58.9079 BFGS: 335 16:43:42 229.758728 58.7868 BFGS: 336 16:43:42 229.178523 58.6651 BFGS: 337 16:43:42 228.598872 58.5430 BFGS: 338 16:43:42 228.019784 58.4203 BFGS: 339 16:43:42 227.441272 58.2971 BFGS: 340 16:43:42 226.863343 58.1734 BFGS: 341 16:43:42 226.286008 58.0491 BFGS: 342 16:43:42 225.709276 57.9243 BFGS: 343 16:43:42 225.133153 57.7989 BFGS: 344 16:43:42 224.557649 57.6730 BFGS: 345 16:43:42 223.982771 57.5466 BFGS: 346 16:43:42 223.408527 57.4197 BFGS: 347 16:43:42 222.834923 57.2922 BFGS: 348 16:43:42 222.261967 57.1651 BFGS: 349 16:43:42 221.689615 57.0431 BFGS: 350 16:43:42 221.117965 56.9206 BFGS: 351 16:43:42 220.547020 56.7976 BFGS: 352 16:43:42 219.976784 56.6740 BFGS: 353 16:43:42 219.407261 56.5500 BFGS: 354 16:43:42 218.838453 56.4254 BFGS: 355 16:43:42 218.270366 56.3004 BFGS: 356 16:43:42 217.703003 56.1749 BFGS: 357 16:43:42 217.136368 56.0490 BFGS: 358 16:43:42 216.570466 55.9226 BFGS: 359 16:43:42 216.005301 55.7957 BFGS: 360 16:43:42 215.440878 55.6684 BFGS: 361 16:43:42 214.877200 55.5407 BFGS: 362 16:43:42 214.314273 55.4125 BFGS: 363 16:43:42 213.752101 55.2839 BFGS: 364 16:43:42 213.190689 55.1549 BFGS: 365 16:43:42 212.630040 55.0255 BFGS: 366 16:43:42 212.070160 54.8956 BFGS: 367 16:43:42 211.511052 54.7664 BFGS: 368 16:43:42 210.952715 54.6408 BFGS: 369 16:43:42 210.395260 54.5146 BFGS: 370 16:43:42 209.838679 54.3879 BFGS: 371 16:43:42 209.282970 54.2607 BFGS: 372 16:43:42 208.728130 54.1330 BFGS: 373 16:43:42 208.174157 54.0049 BFGS: 374 16:43:42 207.621050 53.8764 BFGS: 375 16:43:42 207.068809 53.7475 BFGS: 376 16:43:42 206.517432 53.6185 BFGS: 377 16:43:42 205.966900 53.4893 BFGS: 378 16:43:42 205.417210 53.3598 BFGS: 379 16:43:42 204.868365 53.2298 BFGS: 380 16:43:42 204.320365 53.0996 BFGS: 381 16:43:42 203.773214 52.9690 BFGS: 382 16:43:42 203.226915 52.8380 BFGS: 383 16:43:42 202.681469 52.7067 BFGS: 384 16:43:42 202.136880 52.5751 BFGS: 385 16:43:42 201.593151 52.4432 BFGS: 386 16:43:42 201.050283 52.3110 BFGS: 387 16:43:42 200.508280 52.1785 BFGS: 388 16:43:42 199.967145 52.0457 BFGS: 389 16:43:42 199.426881 51.9125 BFGS: 390 16:43:42 198.887489 51.7791 BFGS: 391 16:43:42 198.348974 51.6454 BFGS: 392 16:43:42 197.811338 51.5114 BFGS: 393 16:43:42 197.274584 51.3772 BFGS: 394 16:43:42 196.738715 51.2427 BFGS: 395 16:43:42 196.203733 51.1079 BFGS: 396 16:43:42 195.669642 50.9729 BFGS: 397 16:43:42 195.136445 50.8376 BFGS: 398 16:43:42 194.604145 50.7020 BFGS: 399 16:43:42 194.072744 50.5662 BFGS: 400 16:43:42 193.542245 50.4302 BFGS: 401 16:43:42 193.012652 50.2939 BFGS: 402 16:43:42 192.483966 50.1575 BFGS: 403 16:43:42 191.956192 50.0207 BFGS: 404 16:43:42 191.429332 49.8838 BFGS: 405 16:43:42 190.903388 49.7466 BFGS: 406 16:43:42 190.378364 49.6094 BFGS: 407 16:43:42 189.854245 49.4724 BFGS: 408 16:43:42 189.331013 49.3351 BFGS: 409 16:43:42 188.808673 49.1977 BFGS: 410 16:43:42 188.287228 49.0601 BFGS: 411 16:43:42 187.766680 48.9223 BFGS: 412 16:43:42 187.247035 48.7843 BFGS: 413 16:43:42 186.728294 48.6462 BFGS: 414 16:43:42 186.210461 48.5078 BFGS: 415 16:43:42 185.693540 48.3694 BFGS: 416 16:43:42 185.177533 48.2307 BFGS: 417 16:43:42 184.662443 48.0920 BFGS: 418 16:43:42 184.148275 47.9530 BFGS: 419 16:43:42 183.635030 47.8139 BFGS: 420 16:43:42 183.122697 47.6785 BFGS: 421 16:43:42 182.611359 47.5448 BFGS: 422 16:43:42 182.101076 47.4108 BFGS: 423 16:43:42 181.591842 47.2766 BFGS: 424 16:43:42 181.083655 47.1421 BFGS: 425 16:43:42 180.576509 47.0074 BFGS: 426 16:43:42 180.070402 46.8725 BFGS: 427 16:43:42 179.565330 46.7374 BFGS: 428 16:43:42 179.061293 46.6021 BFGS: 429 16:43:42 178.558287 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16:43:42 153.379543 39.1895 BFGS: 483 16:43:42 152.932958 39.0561 BFGS: 484 16:43:42 152.487530 38.9228 BFGS: 485 16:43:42 152.043262 38.7898 BFGS: 486 16:43:42 151.600135 38.6587 BFGS: 487 16:43:42 151.158199 38.5282 BFGS: 488 16:43:43 150.717467 38.3978 BFGS: 489 16:43:43 150.277937 38.2676 BFGS: 490 16:43:43 149.839607 38.1374 BFGS: 491 16:43:43 149.402474 38.0075 BFGS: 492 16:43:43 148.966538 37.8776 BFGS: 493 16:43:43 148.531796 37.7479 BFGS: 494 16:43:43 148.098246 37.6184 BFGS: 495 16:43:43 147.665886 37.4889 BFGS: 496 16:43:43 147.234715 37.3596 BFGS: 497 16:43:43 146.804730 37.2305 BFGS: 498 16:43:43 146.375930 37.1015 BFGS: 499 16:43:43 145.948312 36.9727 BFGS: 500 16:43:43 145.521875 36.8447 BFGS: 501 16:43:43 145.096610 36.7179 BFGS: 502 16:43:43 144.672514 36.5912 BFGS: 503 16:43:43 144.249585 36.4646 BFGS: 504 16:43:43 143.827821 36.3382 BFGS: 505 16:43:43 143.407221 36.2120 BFGS: 506 16:43:43 142.987783 36.0859 BFGS: 507 16:43:43 142.569505 35.9599 BFGS: 508 16:43:43 142.152385 35.8341 BFGS: 509 16:43:43 141.736422 35.7085 BFGS: 510 16:43:43 141.321613 35.5830 BFGS: 511 16:43:43 140.907957 35.4577 BFGS: 512 16:43:43 140.495452 35.3334 BFGS: 513 16:43:43 140.084098 35.2096 BFGS: 514 16:43:43 139.673897 35.0860 BFGS: 515 16:43:43 139.264846 34.9625 BFGS: 516 16:43:43 138.856943 34.8391 BFGS: 517 16:43:43 138.450186 34.7159 BFGS: 518 16:43:43 138.044572 34.5929 BFGS: 519 16:43:43 137.640100 34.4700 BFGS: 520 16:43:43 137.236763 34.3484 BFGS: 521 16:43:43 136.834494 34.2281 BFGS: 522 16:43:43 136.433353 34.1083 BFGS: 523 16:43:43 136.033335 33.9900 BFGS: 524 16:43:43 135.634444 33.8719 BFGS: 525 16:43:43 135.236679 33.7541 BFGS: 526 16:43:43 134.840036 33.6364 BFGS: 527 16:43:43 134.444514 33.5190 BFGS: 528 16:43:43 134.050110 33.4017 BFGS: 529 16:43:43 133.656823 33.2847 BFGS: 530 16:43:43 133.264650 33.1679 BFGS: 531 16:43:43 132.873589 33.0513 BFGS: 532 16:43:43 132.483638 32.9349 BFGS: 533 16:43:43 132.094795 32.8188 BFGS: 534 16:43:43 131.707058 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16:43:43 112.688708 27.0282 BFGS: 588 16:43:43 112.356993 26.9289 BFGS: 589 16:43:43 112.026235 26.8299 BFGS: 590 16:43:43 111.696435 26.7311 BFGS: 591 16:43:43 111.367591 26.6326 BFGS: 592 16:43:43 111.039700 26.5343 BFGS: 593 16:43:43 110.712761 26.4363 BFGS: 594 16:43:43 110.386773 26.3385 BFGS: 595 16:43:43 110.061735 26.2409 BFGS: 596 16:43:43 109.737643 26.1436 BFGS: 597 16:43:43 109.414498 26.0465 BFGS: 598 16:43:43 109.092287 25.9509 BFGS: 599 16:43:43 108.771028 25.8570 BFGS: 600 16:43:43 108.450814 25.7634 BFGS: 601 16:43:43 108.131642 25.6699 BFGS: 602 16:43:43 107.813508 25.5768 BFGS: 603 16:43:43 107.496407 25.4838 BFGS: 604 16:43:43 107.180335 25.3911 BFGS: 605 16:43:43 106.865290 25.2986 BFGS: 606 16:43:43 106.551267 25.2063 BFGS: 607 16:43:43 106.238262 25.1143 BFGS: 608 16:43:43 105.926273 25.0225 BFGS: 609 16:43:43 105.615297 24.9310 BFGS: 610 16:43:43 105.305321 24.8427 BFGS: 611 16:43:43 104.996356 24.7549 BFGS: 612 16:43:43 104.688398 24.6673 BFGS: 613 16:43:43 104.381444 24.5798 BFGS: 614 16:43:43 104.075455 24.4932 BFGS: 615 16:43:43 103.770452 24.4071 BFGS: 616 16:43:43 103.466446 24.3217 BFGS: 617 16:43:43 103.163476 24.2365 BFGS: 618 16:43:43 102.861536 24.1516 BFGS: 619 16:43:43 102.560623 24.0670 BFGS: 620 16:43:43 102.260726 23.9826 BFGS: 621 16:43:43 101.961833 23.8985 BFGS: 622 16:43:43 101.663940 23.8147 BFGS: 623 16:43:43 101.367044 23.7312 BFGS: 624 16:43:43 101.071142 23.6480 BFGS: 625 16:43:43 100.776230 23.5650 BFGS: 626 16:43:43 100.482304 23.4823 BFGS: 627 16:43:43 100.189362 23.3999 BFGS: 628 16:43:43 99.897400 23.3178 BFGS: 629 16:43:43 99.606415 23.2360 BFGS: 630 16:43:43 99.316403 23.1544 BFGS: 631 16:43:43 99.027362 23.0731 BFGS: 632 16:43:43 98.739287 22.9920 BFGS: 633 16:43:43 98.452176 22.9112 BFGS: 634 16:43:43 98.166026 22.8307 BFGS: 635 16:43:43 97.880833 22.7504 BFGS: 636 16:43:43 97.596593 22.6704 BFGS: 637 16:43:43 97.313305 22.5907 BFGS: 638 16:43:43 97.030920 22.5115 BFGS: 639 16:43:43 96.749540 22.4327 BFGS: 640 16:43:43 96.469175 22.3541 BFGS: 641 16:43:43 96.189819 22.2758 BFGS: 642 16:43:43 95.911469 22.1977 BFGS: 643 16:43:43 95.634118 22.1200 BFGS: 644 16:43:43 95.357763 22.0425 BFGS: 645 16:43:43 95.082399 21.9653 BFGS: 646 16:43:43 94.808021 21.8884 BFGS: 647 16:43:43 94.534624 21.8118 BFGS: 648 16:43:43 94.262205 21.7354 BFGS: 649 16:43:43 93.990758 21.6593 BFGS: 650 16:43:43 93.720279 21.5835 BFGS: 651 16:43:43 93.450765 21.5080 BFGS: 652 16:43:43 93.182210 21.4328 BFGS: 653 16:43:43 92.914612 21.3578 BFGS: 654 16:43:43 92.647964 21.2831 BFGS: 655 16:43:43 92.382264 21.2086 BFGS: 656 16:43:43 92.117508 21.1344 BFGS: 657 16:43:43 91.853690 21.0605 BFGS: 658 16:43:43 91.590809 20.9869 BFGS: 659 16:43:43 91.328859 20.9135 BFGS: 660 16:43:43 91.067836 20.8404 BFGS: 661 16:43:43 90.807724 20.7676 BFGS: 662 16:43:43 90.548545 20.6950 BFGS: 663 16:43:43 90.290293 20.6227 BFGS: 664 16:43:43 90.032966 20.5507 BFGS: 665 16:43:43 89.776559 20.4790 BFGS: 666 16:43:43 89.521061 20.4075 BFGS: 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829 16:43:44 58.137088 12.0258 BFGS: 830 16:43:44 57.993823 11.9907 BFGS: 831 16:43:44 57.851009 11.9558 BFGS: 832 16:43:44 57.708642 11.9210 BFGS: 833 16:43:44 57.566722 11.8863 BFGS: 834 16:43:44 57.425247 11.8518 BFGS: 835 16:43:44 57.284215 11.8173 BFGS: 836 16:43:44 57.143625 11.7830 BFGS: 837 16:43:44 57.003474 11.7488 BFGS: 838 16:43:44 56.863762 11.7147 BFGS: 839 16:43:44 56.724487 11.6807 BFGS: 840 16:43:44 56.585647 11.6468 BFGS: 841 16:43:44 56.447240 11.6131 BFGS: 842 16:43:44 56.309265 11.5794 BFGS: 843 16:43:44 56.171721 11.5459 BFGS: 844 16:43:44 56.034605 11.5125 BFGS: 845 16:43:44 55.897917 11.4791 BFGS: 846 16:43:44 55.761655 11.4459 BFGS: 847 16:43:44 55.625817 11.4129 BFGS: 848 16:43:44 55.490399 11.3803 BFGS: 849 16:43:44 55.355387 11.3484 BFGS: 850 16:43:44 55.220776 11.3166 BFGS: 851 16:43:44 55.086563 11.2849 BFGS: 852 16:43:44 54.952748 11.2533 BFGS: 853 16:43:44 54.819330 11.2219 BFGS: 854 16:43:44 54.686306 11.1905 BFGS: 855 16:43:44 54.553675 11.1593 BFGS: 856 16:43:44 54.421437 11.1281 BFGS: 857 16:43:44 54.289589 11.0971 BFGS: 858 16:43:44 54.158131 11.0662 BFGS: 859 16:43:44 54.027061 11.0353 BFGS: 860 16:43:44 53.896377 11.0046 BFGS: 861 16:43:44 53.766079 10.9740 BFGS: 862 16:43:44 53.636165 10.9435 BFGS: 863 16:43:44 53.506634 10.9131 BFGS: 864 16:43:44 53.377484 10.8828 BFGS: 865 16:43:44 53.248714 10.8527 BFGS: 866 16:43:44 53.120323 10.8226 BFGS: 867 16:43:44 52.992310 10.7926 BFGS: 868 16:43:44 52.864673 10.7627 BFGS: 869 16:43:44 52.737411 10.7329 BFGS: 870 16:43:44 52.610522 10.7032 BFGS: 871 16:43:44 52.484006 10.6737 BFGS: 872 16:43:44 52.357862 10.6442 BFGS: 873 16:43:44 52.232087 10.6148 BFGS: 874 16:43:44 52.106680 10.5855 BFGS: 875 16:43:44 51.981641 10.5563 BFGS: 876 16:43:44 51.856969 10.5272 BFGS: 877 16:43:44 51.732661 10.4982 BFGS: 878 16:43:44 51.608717 10.4693 BFGS: 879 16:43:44 51.485135 10.4405 BFGS: 880 16:43:44 51.361915 10.4118 BFGS: 881 16:43:44 51.239054 10.3832 BFGS: 882 16:43:44 51.116553 10.3547 BFGS: 883 16:43:44 50.994409 10.3263 BFGS: 884 16:43:44 50.872622 10.2980 BFGS: 885 16:43:44 50.751189 10.2697 BFGS: 886 16:43:44 50.630111 10.2416 BFGS: 887 16:43:44 50.509386 10.2135 BFGS: 888 16:43:44 50.389012 10.1855 BFGS: 889 16:43:44 50.268989 10.1577 BFGS: 890 16:43:44 50.149316 10.1299 BFGS: 891 16:43:44 50.029990 10.1022 BFGS: 892 16:43:44 49.911012 10.0746 BFGS: 893 16:43:44 49.792379 10.0471 BFGS: 894 16:43:44 49.674092 10.0196 BFGS: 895 16:43:44 49.556148 9.9923 BFGS: 896 16:43:44 49.438546 9.9650 BFGS: 897 16:43:44 49.321286 9.9379 BFGS: 898 16:43:44 49.204366 9.9108 BFGS: 899 16:43:44 49.087785 9.8838 BFGS: 900 16:43:44 48.971543 9.8569 BFGS: 901 16:43:44 48.855637 9.8301 BFGS: 902 16:43:44 48.740067 9.8033 BFGS: 903 16:43:44 48.624832 9.7767 BFGS: 904 16:43:44 48.509930 9.7501 BFGS: 905 16:43:44 48.395362 9.7236 BFGS: 906 16:43:44 48.281124 9.6972 BFGS: 907 16:43:44 48.167217 9.6709 BFGS: 908 16:43:44 48.053639 9.6447 BFGS: 909 16:43:44 47.940390 9.6185 BFGS: 910 16:43:44 47.827468 9.5924 BFGS: 911 16:43:44 47.714872 9.5664 BFGS: 912 16:43:44 47.602601 9.5405 BFGS: 913 16:43:44 47.490654 9.5147 BFGS: 914 16:43:44 47.379030 9.4889 BFGS: 915 16:43:44 47.267729 9.4632 BFGS: 916 16:43:44 47.156748 9.4376 BFGS: 917 16:43:44 47.046087 9.4121 BFGS: 918 16:43:44 46.935745 9.3867 BFGS: 919 16:43:44 46.825721 9.3613 BFGS: 920 16:43:44 46.716014 9.3360 BFGS: 921 16:43:44 46.606623 9.3108 BFGS: 922 16:43:44 46.497547 9.2857 BFGS: 923 16:43:44 46.388785 9.2607 BFGS: 924 16:43:44 46.280335 9.2357 BFGS: 925 16:43:44 46.172198 9.2108 BFGS: 926 16:43:44 46.064371 9.1860 BFGS: 927 16:43:44 45.956854 9.1612 BFGS: 928 16:43:44 45.849647 9.1365 BFGS: 929 16:43:44 45.742747 9.1119 BFGS: 930 16:43:44 45.636155 9.0874 BFGS: 931 16:43:44 45.529868 9.0629 BFGS: 932 16:43:44 45.423887 9.0386 BFGS: 933 16:43:44 45.318210 9.0142 BFGS: 934 16:43:44 45.212836 8.9900 BFGS: 935 16:43:44 45.107764 8.9658 BFGS: 936 16:43:44 45.002994 8.9418 BFGS: 937 16:43:45 44.898524 8.9177 BFGS: 938 16:43:45 44.794353 8.8938 BFGS: 939 16:43:45 44.690482 8.8699 BFGS: 940 16:43:45 44.586907 8.8461 BFGS: 941 16:43:45 44.483630 8.8224 BFGS: 942 16:43:45 44.380648 8.7987 BFGS: 943 16:43:45 44.277962 8.7751 BFGS: 944 16:43:45 44.175569 8.7516 BFGS: 945 16:43:45 44.073469 8.7281 BFGS: 946 16:43:45 43.971662 8.7047 BFGS: 947 16:43:45 43.870146 8.6814 BFGS: 948 16:43:45 43.768920 8.6581 BFGS: 949 16:43:45 43.667984 8.6350 BFGS: 950 16:43:45 43.567336 8.6118 BFGS: 951 16:43:45 43.466976 8.5888 BFGS: 952 16:43:45 43.366903 8.5658 BFGS: 953 16:43:45 43.267116 8.5429 BFGS: 954 16:43:45 43.167615 8.5200 BFGS: 955 16:43:45 43.068397 8.4973 BFGS: 956 16:43:45 42.969463 8.4745 BFGS: 957 16:43:45 42.870812 8.4519 BFGS: 958 16:43:45 42.772442 8.4293 BFGS: 959 16:43:45 42.674353 8.4068 BFGS: 960 16:43:45 42.576544 8.3843 BFGS: 961 16:43:45 42.479015 8.3619 BFGS: 962 16:43:45 42.381764 8.3396 BFGS: 963 16:43:45 42.284790 8.3173 BFGS: 964 16:43:45 42.188093 8.2951 BFGS: 965 16:43:45 42.091672 8.2730 BFGS: 966 16:43:45 41.995526 8.2509 BFGS: 967 16:43:45 41.899654 8.2289 BFGS: 968 16:43:45 41.804056 8.2069 BFGS: 969 16:43:45 41.708731 8.1850 BFGS: 970 16:43:45 41.613677 8.1632 BFGS: 971 16:43:45 41.518894 8.1414 BFGS: 972 16:43:45 41.424381 8.1197 BFGS: 973 16:43:45 41.330138 8.0981 BFGS: 974 16:43:45 41.236164 8.0765 BFGS: 975 16:43:45 41.142457 8.0550 BFGS: 976 16:43:45 41.049017 8.0335 BFGS: 977 16:43:45 40.955844 8.0121 BFGS: 978 16:43:45 40.862936 7.9907 BFGS: 979 16:43:45 40.770293 7.9695 BFGS: 980 16:43:45 40.677913 7.9482 BFGS: 981 16:43:45 40.585797 7.9271 BFGS: 982 16:43:45 40.493944 7.9060 BFGS: 983 16:43:45 40.402352 7.8849 BFGS: 984 16:43:45 40.311020 7.8639 BFGS: 985 16:43:45 40.219949 7.8430 BFGS: 986 16:43:45 40.129138 7.8221 BFGS: 987 16:43:45 40.038585 7.8013 BFGS: 988 16:43:45 39.948290 7.7805 BFGS: 989 16:43:45 39.858252 7.7598 BFGS: 990 16:43:45 39.768470 7.7392 BFGS: 991 16:43:45 39.678944 7.7187 BFGS: 992 16:43:45 39.589669 7.6990 BFGS: 993 16:43:45 39.500643 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BFGS: 1048 16:43:45 34.960523 6.6759 BFGS: 1049 16:43:45 34.883832 6.6598 BFGS: 1050 16:43:45 34.807329 6.6437 BFGS: 1051 16:43:45 34.731015 6.6276 BFGS: 1052 16:43:45 34.654890 6.6116 BFGS: 1053 16:43:45 34.578952 6.5957 BFGS: 1054 16:43:45 34.503201 6.5797 BFGS: 1055 16:43:45 34.427636 6.5639 BFGS: 1056 16:43:45 34.352258 6.5480 BFGS: 1057 16:43:45 34.277065 6.5322 BFGS: 1058 16:43:45 34.202058 6.5164 BFGS: 1059 16:43:45 34.127235 6.5007 BFGS: 1060 16:43:45 34.052596 6.4850 BFGS: 1061 16:43:45 33.978141 6.4694 BFGS: 1062 16:43:45 33.903869 6.4538 BFGS: 1063 16:43:45 33.829780 6.4382 BFGS: 1064 16:43:45 33.755873 6.4227 BFGS: 1065 16:43:45 33.682148 6.4072 BFGS: 1066 16:43:45 33.608604 6.3917 BFGS: 1067 16:43:45 33.535241 6.3763 BFGS: 1068 16:43:45 33.462059 6.3609 BFGS: 1069 16:43:45 33.389056 6.3456 BFGS: 1070 16:43:45 33.316233 6.3302 BFGS: 1071 16:43:45 33.243588 6.3150 BFGS: 1072 16:43:45 33.171122 6.2997 BFGS: 1073 16:43:45 33.098835 6.2846 BFGS: 1074 16:43:45 33.026724 6.2694 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BFGS: 1156 16:43:45 27.674902 5.1451 BFGS: 1157 16:43:45 27.615804 5.1328 BFGS: 1158 16:43:45 27.556838 5.1205 BFGS: 1159 16:43:45 27.498003 5.1083 BFGS: 1160 16:43:45 27.439299 5.0961 BFGS: 1161 16:43:46 27.380725 5.0839 BFGS: 1162 16:43:46 27.322282 5.0718 BFGS: 1163 16:43:46 27.263969 5.0597 BFGS: 1164 16:43:46 27.205786 5.0476 BFGS: 1165 16:43:46 27.147733 5.0356 BFGS: 1166 16:43:46 27.089808 5.0235 BFGS: 1167 16:43:46 27.032013 5.0115 BFGS: 1168 16:43:46 26.974346 4.9996 BFGS: 1169 16:43:46 26.916808 4.9877 BFGS: 1170 16:43:46 26.859397 4.9758 BFGS: 1171 16:43:46 26.802115 4.9639 BFGS: 1172 16:43:46 26.744960 4.9520 BFGS: 1173 16:43:46 26.687932 4.9402 BFGS: 1174 16:43:46 26.631031 4.9284 BFGS: 1175 16:43:46 26.574257 4.9167 BFGS: 1176 16:43:46 26.517609 4.9050 BFGS: 1177 16:43:46 26.461088 4.8933 BFGS: 1178 16:43:46 26.404692 4.8816 BFGS: 1179 16:43:46 26.348422 4.8700 BFGS: 1180 16:43:46 26.292277 4.8583 BFGS: 1181 16:43:46 26.236257 4.8468 BFGS: 1182 16:43:46 26.180362 4.8352 BFGS: 1183 16:43:46 26.124592 4.8237 BFGS: 1184 16:43:46 26.068945 4.8122 BFGS: 1185 16:43:46 26.013423 4.8007 BFGS: 1186 16:43:46 25.958024 4.7892 BFGS: 1187 16:43:46 25.902749 4.7778 BFGS: 1188 16:43:46 25.847596 4.7664 BFGS: 1189 16:43:46 25.792567 4.7550 BFGS: 1190 16:43:46 25.737660 4.7437 BFGS: 1191 16:43:46 25.682876 4.7324 BFGS: 1192 16:43:46 25.628213 4.7211 BFGS: 1193 16:43:46 25.573673 4.7098 BFGS: 1194 16:43:46 25.519254 4.6986 BFGS: 1195 16:43:46 25.464956 4.6874 BFGS: 1196 16:43:46 25.410779 4.6762 BFGS: 1197 16:43:46 25.356723 4.6651 BFGS: 1198 16:43:46 25.302788 4.6539 BFGS: 1199 16:43:46 25.248972 4.6428 BFGS: 1200 16:43:46 25.195277 4.6317 BFGS: 1201 16:43:46 25.141702 4.6207 BFGS: 1202 16:43:46 25.088246 4.6097 BFGS: 1203 16:43:46 25.034909 4.5987 BFGS: 1204 16:43:46 24.981691 4.5877 BFGS: 1205 16:43:46 24.928591 4.5767 BFGS: 1206 16:43:46 24.875611 4.5658 BFGS: 1207 16:43:46 24.822748 4.5549 BFGS: 1208 16:43:46 24.770003 4.5440 BFGS: 1209 16:43:46 24.717377 4.5332 BFGS: 1210 16:43:46 24.664867 4.5224 BFGS: 1211 16:43:46 24.612475 4.5116 BFGS: 1212 16:43:46 24.560199 4.5008 BFGS: 1213 16:43:46 24.508041 4.4900 BFGS: 1214 16:43:46 24.455998 4.4793 BFGS: 1215 16:43:46 24.404072 4.4686 BFGS: 1216 16:43:46 24.352262 4.4579 BFGS: 1217 16:43:46 24.300568 4.4473 BFGS: 1218 16:43:46 24.248989 4.4366 BFGS: 1219 16:43:46 24.197525 4.4260 BFGS: 1220 16:43:46 24.146177 4.4155 BFGS: 1221 16:43:46 24.094943 4.4049 BFGS: 1222 16:43:46 24.043823 4.3944 BFGS: 1223 16:43:46 23.992818 4.3839 BFGS: 1224 16:43:46 23.941927 4.3734 BFGS: 1225 16:43:46 23.891149 4.3629 BFGS: 1226 16:43:46 23.840485 4.3525 BFGS: 1227 16:43:46 23.789935 4.3421 BFGS: 1228 16:43:46 23.739497 4.3317 BFGS: 1229 16:43:46 23.689172 4.3213 BFGS: 1230 16:43:46 23.638960 4.3109 BFGS: 1231 16:43:46 23.588860 4.3006 BFGS: 1232 16:43:46 23.538873 4.2903 BFGS: 1233 16:43:46 23.488997 4.2800 BFGS: 1234 16:43:46 23.439233 4.2698 BFGS: 1235 16:43:46 23.389580 4.2596 BFGS: 1236 16:43:46 23.340038 4.2493 BFGS: 1237 16:43:46 23.290608 4.2392 BFGS: 1238 16:43:46 23.241288 4.2290 BFGS: 1239 16:43:46 23.192079 4.2188 BFGS: 1240 16:43:46 23.142979 4.2087 BFGS: 1241 16:43:46 23.093990 4.1986 BFGS: 1242 16:43:46 23.045111 4.1886 BFGS: 1243 16:43:46 22.996341 4.1785 BFGS: 1244 16:43:46 22.947681 4.1685 BFGS: 1245 16:43:46 22.899130 4.1585 BFGS: 1246 16:43:46 22.850687 4.1485 BFGS: 1247 16:43:46 22.802354 4.1385 BFGS: 1248 16:43:46 22.754129 4.1286 BFGS: 1249 16:43:46 22.706012 4.1186 BFGS: 1250 16:43:46 22.658003 4.1087 BFGS: 1251 16:43:46 22.610102 4.0989 BFGS: 1252 16:43:46 22.562308 4.0890 BFGS: 1253 16:43:46 22.514622 4.0792 BFGS: 1254 16:43:46 22.467043 4.0693 BFGS: 1255 16:43:46 22.419570 4.0596 BFGS: 1256 16:43:46 22.372205 4.0498 BFGS: 1257 16:43:46 22.324946 4.0400 BFGS: 1258 16:43:46 22.277793 4.0303 BFGS: 1259 16:43:46 22.230746 4.0206 BFGS: 1260 16:43:46 22.183805 4.0109 BFGS: 1261 16:43:46 22.136970 4.0012 BFGS: 1262 16:43:46 22.090240 3.9916 BFGS: 1263 16:43:46 22.043615 3.9820 BFGS: 1264 16:43:46 21.997095 3.9723 BFGS: 1265 16:43:46 21.950680 3.9628 BFGS: 1266 16:43:46 21.904369 3.9532 BFGS: 1267 16:43:46 21.858163 3.9436 BFGS: 1268 16:43:46 21.812061 3.9341 BFGS: 1269 16:43:46 21.766063 3.9246 BFGS: 1270 16:43:46 21.720168 3.9151 BFGS: 1271 16:43:46 21.674377 3.9057 BFGS: 1272 16:43:46 21.628688 3.8970 BFGS: 1273 16:43:46 21.583095 3.8891 BFGS: 1274 16:43:46 21.537598 3.8813 BFGS: 1275 16:43:46 21.492195 3.8735 BFGS: 1276 16:43:46 21.446888 3.8657 BFGS: 1277 16:43:46 21.401676 3.8579 BFGS: 1278 16:43:46 21.356558 3.8501 BFGS: 1279 16:43:46 21.311534 3.8424 BFGS: 1280 16:43:46 21.266605 3.8346 BFGS: 1281 16:43:46 21.221769 3.8269 BFGS: 1282 16:43:46 21.177027 3.8192 BFGS: 1283 16:43:46 21.132379 3.8115 BFGS: 1284 16:43:46 21.087824 3.8038 BFGS: 1285 16:43:46 21.043363 3.7962 BFGS: 1286 16:43:46 20.998994 3.7885 BFGS: 1287 16:43:46 20.954718 3.7809 BFGS: 1288 16:43:46 20.910534 3.7733 BFGS: 1289 16:43:46 20.866443 3.7657 BFGS: 1290 16:43:46 20.822444 3.7581 BFGS: 1291 16:43:46 20.778537 3.7505 BFGS: 1292 16:43:46 20.734721 3.7430 BFGS: 1293 16:43:46 20.690997 3.7354 BFGS: 1294 16:43:46 20.647364 3.7279 BFGS: 1295 16:43:46 20.603823 3.7204 BFGS: 1296 16:43:46 20.560372 3.7129 BFGS: 1297 16:43:46 20.517012 3.7054 BFGS: 1298 16:43:46 20.473743 3.6980 BFGS: 1299 16:43:46 20.430564 3.6905 BFGS: 1300 16:43:46 20.387475 3.6831 BFGS: 1301 16:43:46 20.344476 3.6757 BFGS: 1302 16:43:46 20.301567 3.6683 BFGS: 1303 16:43:46 20.258747 3.6609 BFGS: 1304 16:43:46 20.216017 3.6535 BFGS: 1305 16:43:46 20.173376 3.6461 BFGS: 1306 16:43:46 20.130824 3.6388 BFGS: 1307 16:43:46 20.088361 3.6314 BFGS: 1308 16:43:46 20.045986 3.6241 BFGS: 1309 16:43:46 20.003700 3.6168 BFGS: 1310 16:43:46 19.961502 3.6095 BFGS: 1311 16:43:46 19.919392 3.6023 BFGS: 1312 16:43:46 19.877370 3.5950 BFGS: 1313 16:43:46 19.835436 3.5877 BFGS: 1314 16:43:46 19.793590 3.5805 BFGS: 1315 16:43:46 19.751830 3.5733 BFGS: 1316 16:43:46 19.710158 3.5661 BFGS: 1317 16:43:46 19.668573 3.5589 BFGS: 1318 16:43:46 19.627074 3.5517 BFGS: 1319 16:43:46 19.585662 3.5446 BFGS: 1320 16:43:46 19.544337 3.5374 BFGS: 1321 16:43:46 19.503098 3.5303 BFGS: 1322 16:43:46 19.461944 3.5232 BFGS: 1323 16:43:46 19.420877 3.5161 BFGS: 1324 16:43:46 19.379896 3.5090 BFGS: 1325 16:43:46 19.339000 3.5019 BFGS: 1326 16:43:46 19.298189 3.4948 BFGS: 1327 16:43:46 19.257464 3.4878 BFGS: 1328 16:43:46 19.216823 3.4807 BFGS: 1329 16:43:46 19.176268 3.4737 BFGS: 1330 16:43:46 19.135797 3.4667 BFGS: 1331 16:43:46 19.095410 3.4597 BFGS: 1332 16:43:46 19.055108 3.4527 BFGS: 1333 16:43:46 19.014890 3.4457 BFGS: 1334 16:43:46 18.974756 3.4388 BFGS: 1335 16:43:46 18.934706 3.4319 BFGS: 1336 16:43:46 18.894740 3.4249 BFGS: 1337 16:43:46 18.854857 3.4180 BFGS: 1338 16:43:46 18.815057 3.4111 BFGS: 1339 16:43:46 18.775340 3.4042 BFGS: 1340 16:43:46 18.735707 3.3973 BFGS: 1341 16:43:46 18.696156 3.3905 BFGS: 1342 16:43:46 18.656688 3.3836 BFGS: 1343 16:43:46 18.617302 3.3768 BFGS: 1344 16:43:46 18.577998 3.3700 BFGS: 1345 16:43:46 18.538777 3.3632 BFGS: 1346 16:43:46 18.499638 3.3564 BFGS: 1347 16:43:46 18.460580 3.3496 BFGS: 1348 16:43:46 18.421604 3.3428 BFGS: 1349 16:43:46 18.382710 3.3361 BFGS: 1350 16:43:46 18.343897 3.3293 BFGS: 1351 16:43:46 18.305165 3.3226 BFGS: 1352 16:43:46 18.266514 3.3159 BFGS: 1353 16:43:46 18.227944 3.3092 BFGS: 1354 16:43:46 18.189454 3.3025 BFGS: 1355 16:43:46 18.151045 3.2958 BFGS: 1356 16:43:46 18.112717 3.2891 BFGS: 1357 16:43:46 18.074468 3.2825 BFGS: 1358 16:43:46 18.036300 3.2758 BFGS: 1359 16:43:46 17.998211 3.2692 BFGS: 1360 16:43:46 17.960203 3.2626 BFGS: 1361 16:43:46 17.922273 3.2560 BFGS: 1362 16:43:46 17.884423 3.2494 BFGS: 1363 16:43:46 17.846653 3.2428 BFGS: 1364 16:43:46 17.808961 3.2362 BFGS: 1365 16:43:46 17.771349 3.2297 BFGS: 1366 16:43:46 17.733815 3.2231 BFGS: 1367 16:43:46 17.696360 3.2166 BFGS: 1368 16:43:46 17.658983 3.2101 BFGS: 1369 16:43:46 17.621685 3.2036 BFGS: 1370 16:43:47 17.584465 3.1971 BFGS: 1371 16:43:47 17.547323 3.1906 BFGS: 1372 16:43:47 17.510259 3.1841 BFGS: 1373 16:43:47 17.473272 3.1777 BFGS: 1374 16:43:47 17.436363 3.1712 BFGS: 1375 16:43:47 17.399531 3.1648 BFGS: 1376 16:43:47 17.362777 3.1584 BFGS: 1377 16:43:47 17.326100 3.1520 BFGS: 1378 16:43:47 17.289500 3.1456 BFGS: 1379 16:43:47 17.252976 3.1392 BFGS: 1380 16:43:47 17.216530 3.1328 BFGS: 1381 16:43:47 17.180159 3.1265 BFGS: 1382 16:43:47 17.143865 3.1201 BFGS: 1383 16:43:47 17.107648 3.1138 BFGS: 1384 16:43:47 17.071506 3.1075 BFGS: 1385 16:43:47 17.035441 3.1012 BFGS: 1386 16:43:47 16.999451 3.0949 BFGS: 1387 16:43:47 16.963537 3.0886 BFGS: 1388 16:43:47 16.927698 3.0823 BFGS: 1389 16:43:47 16.891935 3.0760 BFGS: 1390 16:43:47 16.856247 3.0698 BFGS: 1391 16:43:47 16.820633 3.0635 BFGS: 1392 16:43:47 16.785095 3.0573 BFGS: 1393 16:43:47 16.749632 3.0511 BFGS: 1394 16:43:47 16.714243 3.0449 BFGS: 1395 16:43:47 16.678929 3.0387 BFGS: 1396 16:43:47 16.643689 3.0325 BFGS: 1397 16:43:47 16.608524 3.0263 BFGS: 1398 16:43:47 16.573432 3.0202 BFGS: 1399 16:43:47 16.538414 3.0140 BFGS: 1400 16:43:47 16.503470 3.0079 BFGS: 1401 16:43:47 16.468600 3.0018 BFGS: 1402 16:43:47 16.433804 2.9956 BFGS: 1403 16:43:47 16.399080 2.9895 BFGS: 1404 16:43:47 16.364430 2.9834 BFGS: 1405 16:43:47 16.329853 2.9774 BFGS: 1406 16:43:47 16.295349 2.9713 BFGS: 1407 16:43:47 16.260918 2.9652 BFGS: 1408 16:43:47 16.226559 2.9592 BFGS: 1409 16:43:47 16.192273 2.9531 BFGS: 1410 16:43:47 16.158060 2.9471 BFGS: 1411 16:43:47 16.123919 2.9411 BFGS: 1412 16:43:47 16.089849 2.9351 BFGS: 1413 16:43:47 16.055852 2.9291 BFGS: 1414 16:43:47 16.021927 2.9231 BFGS: 1415 16:43:47 15.988074 2.9171 BFGS: 1416 16:43:47 15.954292 2.9112 BFGS: 1417 16:43:47 15.920581 2.9052 BFGS: 1418 16:43:47 15.886942 2.8993 BFGS: 1419 16:43:47 15.853374 2.8934 BFGS: 1420 16:43:47 15.819878 2.8875 BFGS: 1421 16:43:47 15.786452 2.8815 BFGS: 1422 16:43:47 15.753097 2.8756 BFGS: 1423 16:43:47 15.719812 2.8698 BFGS: 1424 16:43:47 15.686598 2.8639 BFGS: 1425 16:43:47 15.653455 2.8580 BFGS: 1426 16:43:47 15.620382 2.8522 BFGS: 1427 16:43:47 15.587379 2.8463 BFGS: 1428 16:43:47 15.554446 2.8405 BFGS: 1429 16:43:47 15.521583 2.8347 BFGS: 1430 16:43:47 15.488790 2.8289 BFGS: 1431 16:43:47 15.456066 2.8231 BFGS: 1432 16:43:47 15.423412 2.8173 BFGS: 1433 16:43:47 15.390827 2.8115 BFGS: 1434 16:43:47 15.358312 2.8057 BFGS: 1435 16:43:47 15.325865 2.8000 BFGS: 1436 16:43:47 15.293488 2.7942 BFGS: 1437 16:43:47 15.261180 2.7885 BFGS: 1438 16:43:47 15.228940 2.7828 BFGS: 1439 16:43:47 15.196768 2.7773 BFGS: 1440 16:43:47 15.164659 2.7726 BFGS: 1441 16:43:47 15.132609 2.7678 BFGS: 1442 16:43:47 15.100618 2.7631 BFGS: 1443 16:43:47 15.068687 2.7583 BFGS: 1444 16:43:47 15.036815 2.7536 BFGS: 1445 16:43:47 15.005002 2.7489 BFGS: 1446 16:43:47 14.973248 2.7442 BFGS: 1447 16:43:47 14.941553 2.7394 BFGS: 1448 16:43:47 14.909917 2.7348 BFGS: 1449 16:43:47 14.878339 2.7301 BFGS: 1450 16:43:47 14.846820 2.7254 BFGS: 1451 16:43:47 14.815360 2.7207 BFGS: 1452 16:43:47 14.783958 2.7161 BFGS: 1453 16:43:47 14.752615 2.7114 BFGS: 1454 16:43:47 14.721329 2.7068 BFGS: 1455 16:43:47 14.690102 2.7021 BFGS: 1456 16:43:47 14.658932 2.6975 BFGS: 1457 16:43:47 14.627821 2.6929 BFGS: 1458 16:43:47 14.596767 2.6883 BFGS: 1459 16:43:47 14.565770 2.6837 BFGS: 1460 16:43:47 14.534832 2.6791 BFGS: 1461 16:43:47 14.503951 2.6745 BFGS: 1462 16:43:47 14.473127 2.6699 BFGS: 1463 16:43:47 14.442360 2.6654 BFGS: 1464 16:43:47 14.411650 2.6608 BFGS: 1465 16:43:47 14.380998 2.6563 BFGS: 1466 16:43:47 14.350402 2.6517 BFGS: 1467 16:43:47 14.319863 2.6472 BFGS: 1468 16:43:47 14.289381 2.6427 BFGS: 1469 16:43:47 14.258955 2.6382 BFGS: 1470 16:43:47 14.228586 2.6337 BFGS: 1471 16:43:47 14.198274 2.6292 BFGS: 1472 16:43:47 14.168017 2.6247 BFGS: 1473 16:43:47 14.137817 2.6202 BFGS: 1474 16:43:47 14.107673 2.6157 BFGS: 1475 16:43:47 14.077585 2.6112 BFGS: 1476 16:43:47 14.047553 2.6068 BFGS: 1477 16:43:47 14.017577 2.6023 BFGS: 1478 16:43:47 13.987656 2.5979 BFGS: 1479 16:43:47 13.957791 2.5935 BFGS: 1480 16:43:47 13.927981 2.5890 BFGS: 1481 16:43:47 13.898227 2.5846 BFGS: 1482 16:43:47 13.868528 2.5802 BFGS: 1483 16:43:47 13.838884 2.5758 BFGS: 1484 16:43:47 13.809296 2.5714 BFGS: 1485 16:43:47 13.779762 2.5670 BFGS: 1486 16:43:47 13.750283 2.5627 BFGS: 1487 16:43:47 13.720860 2.5583 BFGS: 1488 16:43:47 13.691490 2.5539 BFGS: 1489 16:43:47 13.662176 2.5496 BFGS: 1490 16:43:47 13.632916 2.5452 BFGS: 1491 16:43:47 13.603710 2.5409 BFGS: 1492 16:43:47 13.574559 2.5366 BFGS: 1493 16:43:47 13.545462 2.5322 BFGS: 1494 16:43:47 13.516419 2.5279 BFGS: 1495 16:43:47 13.487430 2.5236 BFGS: 1496 16:43:47 13.458495 2.5193 BFGS: 1497 16:43:47 13.429614 2.5150 BFGS: 1498 16:43:47 13.400786 2.5107 BFGS: 1499 16:43:47 13.372013 2.5065 BFGS: 1500 16:43:47 13.343293 2.5022 BFGS: 1501 16:43:47 13.314626 2.4979 BFGS: 1502 16:43:47 13.286013 2.4937 BFGS: 1503 16:43:47 13.257453 2.4894 BFGS: 1504 16:43:47 13.228946 2.4852 BFGS: 1505 16:43:47 13.200492 2.4810 BFGS: 1506 16:43:47 13.172091 2.4767 BFGS: 1507 16:43:47 13.143743 2.4725 BFGS: 1508 16:43:47 13.115448 2.4683 BFGS: 1509 16:43:47 13.087206 2.4641 BFGS: 1510 16:43:47 13.059017 2.4599 BFGS: 1511 16:43:47 13.030879 2.4557 BFGS: 1512 16:43:47 13.002795 2.4516 BFGS: 1513 16:43:47 12.974762 2.4474 BFGS: 1514 16:43:47 12.946782 2.4432 BFGS: 1515 16:43:47 12.918855 2.4391 BFGS: 1516 16:43:47 12.890979 2.4349 BFGS: 1517 16:43:47 12.863155 2.4308 BFGS: 1518 16:43:47 12.835383 2.4266 BFGS: 1519 16:43:47 12.807663 2.4225 BFGS: 1520 16:43:47 12.779995 2.4184 BFGS: 1521 16:43:47 12.752378 2.4143 BFGS: 1522 16:43:47 12.724813 2.4102 BFGS: 1523 16:43:47 12.697299 2.4061 BFGS: 1524 16:43:47 12.669837 2.4020 BFGS: 1525 16:43:47 12.642426 2.3979 BFGS: 1526 16:43:47 12.615066 2.3938 BFGS: 1527 16:43:47 12.587757 2.3897 BFGS: 1528 16:43:47 12.560500 2.3857 BFGS: 1529 16:43:47 12.533293 2.3816 BFGS: 1530 16:43:47 12.506137 2.3775 BFGS: 1531 16:43:47 12.479032 2.3735 BFGS: 1532 16:43:47 12.451977 2.3695 BFGS: 1533 16:43:47 12.424973 2.3654 BFGS: 1534 16:43:47 12.398020 2.3614 BFGS: 1535 16:43:47 12.371117 2.3574 BFGS: 1536 16:43:47 12.344264 2.3534 BFGS: 1537 16:43:47 12.317461 2.3494 BFGS: 1538 16:43:47 12.290709 2.3454 BFGS: 1539 16:43:47 12.264007 2.3414 BFGS: 1540 16:43:47 12.237355 2.3374 BFGS: 1541 16:43:47 12.210752 2.3334 BFGS: 1542 16:43:47 12.184200 2.3295 BFGS: 1543 16:43:47 12.157697 2.3255 BFGS: 1544 16:43:47 12.131243 2.3215 BFGS: 1545 16:43:47 12.104840 2.3176 BFGS: 1546 16:43:47 12.078486 2.3137 BFGS: 1547 16:43:47 12.052181 2.3097 BFGS: 1548 16:43:47 12.025925 2.3058 BFGS: 1549 16:43:47 11.999719 2.3019 BFGS: 1550 16:43:47 11.973562 2.2979 BFGS: 1551 16:43:47 11.947454 2.2940 BFGS: 1552 16:43:47 11.921394 2.2901 BFGS: 1553 16:43:47 11.895384 2.2862 BFGS: 1554 16:43:47 11.869423 2.2823 BFGS: 1555 16:43:47 11.843510 2.2785 BFGS: 1556 16:43:47 11.817646 2.2746 BFGS: 1557 16:43:47 11.791830 2.2707 BFGS: 1558 16:43:47 11.766063 2.2669 BFGS: 1559 16:43:47 11.740345 2.2630 BFGS: 1560 16:43:47 11.714674 2.2591 BFGS: 1561 16:43:47 11.689052 2.2553 BFGS: 1562 16:43:47 11.663478 2.2515 BFGS: 1563 16:43:47 11.637952 2.2476 BFGS: 1564 16:43:47 11.612474 2.2438 BFGS: 1565 16:43:47 11.587044 2.2400 BFGS: 1566 16:43:47 11.561662 2.2362 BFGS: 1567 16:43:47 11.536328 2.2324 BFGS: 1568 16:43:47 11.511041 2.2286 BFGS: 1569 16:43:47 11.485802 2.2248 BFGS: 1570 16:43:47 11.460610 2.2210 BFGS: 1571 16:43:47 11.435466 2.2172 BFGS: 1572 16:43:47 11.410369 2.2134 BFGS: 1573 16:43:47 11.385319 2.2097 BFGS: 1574 16:43:47 11.360317 2.2059 BFGS: 1575 16:43:47 11.335361 2.2021 BFGS: 1576 16:43:47 11.310453 2.1984 BFGS: 1577 16:43:47 11.285591 2.1946 BFGS: 1578 16:43:47 11.260777 2.1909 BFGS: 1579 16:43:47 11.236009 2.1872 BFGS: 1580 16:43:47 11.211288 2.1834 BFGS: 1581 16:43:47 11.186614 2.1797 BFGS: 1582 16:43:47 11.161986 2.1760 BFGS: 1583 16:43:47 11.137405 2.1723 BFGS: 1584 16:43:47 11.112870 2.1686 BFGS: 1585 16:43:47 11.088382 2.1649 BFGS: 1586 16:43:47 11.063939 2.1612 BFGS: 1587 16:43:47 11.039543 2.1575 BFGS: 1588 16:43:47 11.015193 2.1538 BFGS: 1589 16:43:47 10.990889 2.1502 BFGS: 1590 16:43:47 10.966631 2.1465 BFGS: 1591 16:43:47 10.942419 2.1429 BFGS: 1592 16:43:47 10.918253 2.1392 BFGS: 1593 16:43:47 10.894132 2.1355 BFGS: 1594 16:43:47 10.870057 2.1319 BFGS: 1595 16:43:47 10.846028 2.1283 BFGS: 1596 16:43:47 10.822044 2.1246 BFGS: 1597 16:43:48 10.798105 2.1210 BFGS: 1598 16:43:48 10.774212 2.1174 BFGS: 1599 16:43:48 10.750364 2.1138 BFGS: 1600 16:43:48 10.726562 2.1102 BFGS: 1601 16:43:48 10.702804 2.1066 BFGS: 1602 16:43:48 10.679092 2.1030 BFGS: 1603 16:43:48 10.655424 2.0994 BFGS: 1604 16:43:48 10.631802 2.0958 BFGS: 1605 16:43:48 10.608224 2.0922 BFGS: 1606 16:43:48 10.584691 2.0887 BFGS: 1607 16:43:48 10.561203 2.0851 BFGS: 1608 16:43:48 10.537759 2.0815 BFGS: 1609 16:43:48 10.514360 2.0780 BFGS: 1610 16:43:48 10.491005 2.0744 BFGS: 1611 16:43:48 10.467695 2.0709 BFGS: 1612 16:43:48 10.444429 2.0673 BFGS: 1613 16:43:48 10.421207 2.0638 BFGS: 1614 16:43:48 10.398029 2.0603 BFGS: 1615 16:43:48 10.374896 2.0568 BFGS: 1616 16:43:48 10.351806 2.0532 BFGS: 1617 16:43:48 10.328761 2.0497 BFGS: 1618 16:43:48 10.305759 2.0462 BFGS: 1619 16:43:48 10.282802 2.0427 BFGS: 1620 16:43:48 10.259888 2.0392 BFGS: 1621 16:43:48 10.237017 2.0357 BFGS: 1622 16:43:48 10.214191 2.0323 BFGS: 1623 16:43:48 10.191407 2.0288 BFGS: 1624 16:43:48 10.168668 2.0253 BFGS: 1625 16:43:48 10.145971 2.0218 BFGS: 1626 16:43:48 10.123318 2.0184 BFGS: 1627 16:43:48 10.100708 2.0149 BFGS: 1628 16:43:48 10.078142 2.0115 BFGS: 1629 16:43:48 10.055618 2.0080 BFGS: 1630 16:43:48 10.033138 2.0046 BFGS: 1631 16:43:48 10.010700 2.0012 BFGS: 1632 16:43:48 9.988306 1.9977 BFGS: 1633 16:43:48 9.965954 1.9943 BFGS: 1634 16:43:48 9.943645 1.9909 BFGS: 1635 16:43:48 9.921379 1.9875 BFGS: 1636 16:43:48 9.899155 1.9841 BFGS: 1637 16:43:48 9.876974 1.9807 BFGS: 1638 16:43:48 9.854836 1.9773 BFGS: 1639 16:43:48 9.832739 1.9739 BFGS: 1640 16:43:48 9.810686 1.9705 BFGS: 1641 16:43:48 9.788674 1.9671 BFGS: 1642 16:43:48 9.766705 1.9637 BFGS: 1643 16:43:48 9.744778 1.9604 BFGS: 1644 16:43:48 9.722893 1.9570 BFGS: 1645 16:43:48 9.701050 1.9536 BFGS: 1646 16:43:48 9.679249 1.9503 BFGS: 1647 16:43:48 9.657489 1.9469 BFGS: 1648 16:43:48 9.635772 1.9436 BFGS: 1649 16:43:48 9.614096 1.9403 BFGS: 1650 16:43:48 9.592462 1.9369 BFGS: 1651 16:43:48 9.570870 1.9336 BFGS: 1652 16:43:48 9.549319 1.9303 BFGS: 1653 16:43:48 9.527810 1.9269 BFGS: 1654 16:43:48 9.506342 1.9236 BFGS: 1655 16:43:48 9.484915 1.9203 BFGS: 1656 16:43:48 9.463530 1.9170 BFGS: 1657 16:43:48 9.442186 1.9137 BFGS: 1658 16:43:48 9.420883 1.9104 BFGS: 1659 16:43:48 9.399621 1.9071 BFGS: 1660 16:43:48 9.378401 1.9039 BFGS: 1661 16:43:48 9.357221 1.9006 BFGS: 1662 16:43:48 9.336082 1.8973 BFGS: 1663 16:43:48 9.314984 1.8940 BFGS: 1664 16:43:48 9.293926 1.8908 BFGS: 1665 16:43:48 9.272910 1.8875 BFGS: 1666 16:43:48 9.251934 1.8843 BFGS: 1667 16:43:48 9.230998 1.8810 BFGS: 1668 16:43:48 9.210103 1.8778 BFGS: 1669 16:43:48 9.189249 1.8745 BFGS: 1670 16:43:48 9.168435 1.8713 BFGS: 1671 16:43:48 9.147661 1.8681 BFGS: 1672 16:43:48 9.126927 1.8649 BFGS: 1673 16:43:48 9.106234 1.8616 BFGS: 1674 16:43:48 9.085581 1.8584 BFGS: 1675 16:43:48 9.064968 1.8552 BFGS: 1676 16:43:48 9.044394 1.8520 BFGS: 1677 16:43:48 9.023861 1.8488 BFGS: 1678 16:43:48 9.003368 1.8456 BFGS: 1679 16:43:48 8.982914 1.8424 BFGS: 1680 16:43:48 8.962501 1.8392 BFGS: 1681 16:43:48 8.942126 1.8361 BFGS: 1682 16:43:48 8.921792 1.8329 BFGS: 1683 16:43:48 8.901497 1.8297 BFGS: 1684 16:43:48 8.881242 1.8266 BFGS: 1685 16:43:48 8.861026 1.8234 BFGS: 1686 16:43:48 8.840849 1.8202 BFGS: 1687 16:43:48 8.820712 1.8171 BFGS: 1688 16:43:48 8.800614 1.8139 BFGS: 1689 16:43:48 8.780555 1.8108 BFGS: 1690 16:43:48 8.760535 1.8077 BFGS: 1691 16:43:48 8.740554 1.8045 BFGS: 1692 16:43:48 8.720613 1.8014 BFGS: 1693 16:43:48 8.700710 1.7983 BFGS: 1694 16:43:48 8.680846 1.7952 BFGS: 1695 16:43:48 8.661021 1.7921 BFGS: 1696 16:43:48 8.641235 1.7889 BFGS: 1697 16:43:48 8.621487 1.7858 BFGS: 1698 16:43:48 8.601778 1.7827 BFGS: 1699 16:43:48 8.582108 1.7796 BFGS: 1700 16:43:48 8.562476 1.7766 BFGS: 1701 16:43:48 8.542883 1.7735 BFGS: 1702 16:43:48 8.523328 1.7704 BFGS: 1703 16:43:48 8.503811 1.7673 BFGS: 1704 16:43:48 8.484333 1.7642 BFGS: 1705 16:43:48 8.464893 1.7612 BFGS: 1706 16:43:48 8.445491 1.7581 BFGS: 1707 16:43:48 8.426127 1.7551 BFGS: 1708 16:43:48 8.406802 1.7520 BFGS: 1709 16:43:48 8.387514 1.7490 BFGS: 1710 16:43:48 8.368264 1.7459 BFGS: 1711 16:43:48 8.349052 1.7429 BFGS: 1712 16:43:48 8.329878 1.7398 BFGS: 1713 16:43:48 8.310741 1.7368 BFGS: 1714 16:43:48 8.291643 1.7338 BFGS: 1715 16:43:48 8.272582 1.7308 BFGS: 1716 16:43:48 8.253558 1.7277 BFGS: 1717 16:43:48 8.234572 1.7247 BFGS: 1718 16:43:48 8.215624 1.7217 BFGS: 1719 16:43:48 8.196713 1.7187 BFGS: 1720 16:43:48 8.177839 1.7157 BFGS: 1721 16:43:48 8.159003 1.7127 BFGS: 1722 16:43:48 8.140203 1.7097 BFGS: 1723 16:43:48 8.121441 1.7067 BFGS: 1724 16:43:48 8.102716 1.7038 BFGS: 1725 16:43:48 8.084029 1.7008 BFGS: 1726 16:43:48 8.065378 1.6978 BFGS: 1727 16:43:48 8.046764 1.6948 BFGS: 1728 16:43:48 8.028187 1.6919 BFGS: 1729 16:43:48 8.009647 1.6889 BFGS: 1730 16:43:48 7.991144 1.6860 BFGS: 1731 16:43:48 7.972677 1.6830 BFGS: 1732 16:43:48 7.954247 1.6801 BFGS: 1733 16:43:48 7.935854 1.6771 BFGS: 1734 16:43:48 7.917497 1.6742 BFGS: 1735 16:43:48 7.899176 1.6712 BFGS: 1736 16:43:48 7.880893 1.6683 BFGS: 1737 16:43:48 7.862645 1.6654 BFGS: 1738 16:43:48 7.844434 1.6625 BFGS: 1739 16:43:48 7.826259 1.6596 BFGS: 1740 16:43:48 7.808121 1.6566 BFGS: 1741 16:43:48 7.790018 1.6537 BFGS: 1742 16:43:48 7.771952 1.6508 BFGS: 1743 16:43:48 7.753922 1.6479 BFGS: 1744 16:43:48 7.735927 1.6450 BFGS: 1745 16:43:48 7.717969 1.6421 BFGS: 1746 16:43:48 7.700047 1.6392 BFGS: 1747 16:43:48 7.682160 1.6364 BFGS: 1748 16:43:48 7.664309 1.6335 BFGS: 1749 16:43:48 7.646494 1.6306 BFGS: 1750 16:43:48 7.628715 1.6277 BFGS: 1751 16:43:48 7.610971 1.6249 BFGS: 1752 16:43:48 7.593263 1.6220 BFGS: 1753 16:43:48 7.575590 1.6192 BFGS: 1754 16:43:48 7.557953 1.6163 BFGS: 1755 16:43:48 7.540351 1.6134 BFGS: 1756 16:43:48 7.522785 1.6106 BFGS: 1757 16:43:48 7.505253 1.6078 BFGS: 1758 16:43:48 7.487757 1.6049 BFGS: 1759 16:43:48 7.470297 1.6021 BFGS: 1760 16:43:48 7.452871 1.5993 BFGS: 1761 16:43:48 7.435481 1.5964 BFGS: 1762 16:43:48 7.418125 1.5936 BFGS: 1763 16:43:48 7.400805 1.5908 BFGS: 1764 16:43:48 7.383519 1.5880 BFGS: 1765 16:43:48 7.366269 1.5852 BFGS: 1766 16:43:48 7.349053 1.5824 BFGS: 1767 16:43:48 7.331872 1.5796 BFGS: 1768 16:43:48 7.314725 1.5768 BFGS: 1769 16:43:48 7.297614 1.5740 BFGS: 1770 16:43:48 7.280537 1.5712 BFGS: 1771 16:43:48 7.263494 1.5684 BFGS: 1772 16:43:48 7.246486 1.5656 BFGS: 1773 16:43:48 7.229513 1.5628 BFGS: 1774 16:43:48 7.212574 1.5601 BFGS: 1775 16:43:48 7.195669 1.5573 BFGS: 1776 16:43:48 7.178799 1.5545 BFGS: 1777 16:43:48 7.161962 1.5518 BFGS: 1778 16:43:48 7.145161 1.5490 BFGS: 1779 16:43:48 7.128393 1.5463 BFGS: 1780 16:43:48 7.111659 1.5435 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1.2101 BFGS: 1920 16:43:49 5.075001 1.2079 BFGS: 1921 16:43:49 5.062419 1.2058 BFGS: 1922 16:43:49 5.049864 1.2037 BFGS: 1923 16:43:49 5.037334 1.2016 BFGS: 1924 16:43:49 5.024829 1.1995 BFGS: 1925 16:43:49 5.012350 1.1973 BFGS: 1926 16:43:49 4.999896 1.1952 BFGS: 1927 16:43:49 4.987468 1.1931 BFGS: 1928 16:43:49 4.975065 1.1910 BFGS: 1929 16:43:49 4.962687 1.1889 BFGS: 1930 16:43:49 4.950335 1.1868 BFGS: 1931 16:43:49 4.938008 1.1847 BFGS: 1932 16:43:49 4.925706 1.1826 BFGS: 1933 16:43:49 4.913429 1.1805 BFGS: 1934 16:43:49 4.901177 1.1784 BFGS: 1935 16:43:49 4.888951 1.1764 BFGS: 1936 16:43:49 4.876750 1.1743 BFGS: 1937 16:43:49 4.864573 1.1722 BFGS: 1938 16:43:49 4.852422 1.1701 BFGS: 1939 16:43:49 4.840295 1.1680 BFGS: 1940 16:43:49 4.828194 1.1660 BFGS: 1941 16:43:49 4.816117 1.1639 BFGS: 1942 16:43:49 4.804065 1.1618 BFGS: 1943 16:43:49 4.792038 1.1598 BFGS: 1944 16:43:49 4.780036 1.1577 BFGS: 1945 16:43:49 4.768059 1.1556 BFGS: 1946 16:43:49 4.756106 1.1536 BFGS: 1947 16:43:49 4.744178 1.1515 BFGS: 1948 16:43:49 4.732274 1.1495 BFGS: 1949 16:43:49 4.720395 1.1474 BFGS: 1950 16:43:49 4.708541 1.1454 BFGS: 1951 16:43:49 4.696711 1.1433 BFGS: 1952 16:43:49 4.684906 1.1413 BFGS: 1953 16:43:49 4.673125 1.1393 BFGS: 1954 16:43:49 4.661368 1.1372 BFGS: 1955 16:43:49 4.649636 1.1352 BFGS: 1956 16:43:49 4.637928 1.1331 BFGS: 1957 16:43:49 4.626245 1.1311 BFGS: 1958 16:43:49 4.614586 1.1291 BFGS: 1959 16:43:49 4.602951 1.1271 BFGS: 1960 16:43:49 4.591340 1.1250 BFGS: 1961 16:43:49 4.579753 1.1230 BFGS: 1962 16:43:49 4.568191 1.1210 BFGS: 1963 16:43:49 4.556652 1.1190 BFGS: 1964 16:43:49 4.545138 1.1170 BFGS: 1965 16:43:49 4.533647 1.1150 BFGS: 1966 16:43:49 4.522181 1.1130 BFGS: 1967 16:43:49 4.510739 1.1110 BFGS: 1968 16:43:49 4.499320 1.1090 BFGS: 1969 16:43:49 4.487925 1.1070 BFGS: 1970 16:43:49 4.476555 1.1050 BFGS: 1971 16:43:49 4.465208 1.1030 BFGS: 1972 16:43:49 4.453884 1.1010 BFGS: 1973 16:43:49 4.442585 1.0990 BFGS: 1974 16:43:49 4.431309 1.0970 BFGS: 1975 16:43:49 4.420057 1.0950 BFGS: 1976 16:43:49 4.408829 1.0931 BFGS: 1977 16:43:49 4.397624 1.0911 BFGS: 1978 16:43:49 4.386442 1.0891 BFGS: 1979 16:43:49 4.375285 1.0871 BFGS: 1980 16:43:49 4.364150 1.0852 BFGS: 1981 16:43:49 4.353040 1.0832 BFGS: 1982 16:43:49 4.341952 1.0812 BFGS: 1983 16:43:49 4.330888 1.0793 BFGS: 1984 16:43:49 4.319848 1.0773 BFGS: 1985 16:43:49 4.308831 1.0753 BFGS: 1986 16:43:49 4.297837 1.0734 BFGS: 1987 16:43:49 4.286866 1.0714 BFGS: 1988 16:43:49 4.275919 1.0695 BFGS: 1989 16:43:49 4.264995 1.0675 BFGS: 1990 16:43:49 4.254094 1.0656 BFGS: 1991 16:43:49 4.243216 1.0636 BFGS: 1992 16:43:49 4.232361 1.0617 BFGS: 1993 16:43:49 4.221527 1.0600 BFGS: 1994 16:43:49 4.210714 1.0583 BFGS: 1995 16:43:49 4.199921 1.0566 BFGS: 1996 16:43:49 4.189147 1.0548 BFGS: 1997 16:43:49 4.178394 1.0531 BFGS: 1998 16:43:49 4.167661 1.0514 BFGS: 1999 16:43:49 4.156948 1.0497 BFGS: 2000 16:43:49 4.146254 1.0480 BFGS: 2001 16:43:49 4.135581 1.0463 BFGS: 2002 16:43:49 4.124927 1.0446 BFGS: 2003 16:43:49 4.114294 1.0429 BFGS: 2004 16:43:49 4.103680 1.0412 BFGS: 2005 16:43:49 4.093086 1.0395 BFGS: 2006 16:43:49 4.082511 1.0378 BFGS: 2007 16:43:49 4.071957 1.0361 BFGS: 2008 16:43:49 4.061422 1.0344 BFGS: 2009 16:43:49 4.050907 1.0327 BFGS: 2010 16:43:49 4.040411 1.0310 BFGS: 2011 16:43:49 4.029935 1.0293 BFGS: 2012 16:43:49 4.019478 1.0276 BFGS: 2013 16:43:49 4.009041 1.0259 BFGS: 2014 16:43:49 3.998624 1.0243 BFGS: 2015 16:43:49 3.988226 1.0226 BFGS: 2016 16:43:49 3.977848 1.0209 BFGS: 2017 16:43:49 3.967488 1.0192 BFGS: 2018 16:43:49 3.957149 1.0176 BFGS: 2019 16:43:49 3.946828 1.0159 BFGS: 2020 16:43:49 3.936527 1.0142 BFGS: 2021 16:43:49 3.926246 1.0125 BFGS: 2022 16:43:49 3.915983 1.0109 BFGS: 2023 16:43:49 3.905740 1.0092 BFGS: 2024 16:43:49 3.895516 1.0076 BFGS: 2025 16:43:49 3.885311 1.0059 BFGS: 2026 16:43:49 3.875125 1.0042 BFGS: 2027 16:43:49 3.864959 1.0026 BFGS: 2028 16:43:49 3.854811 1.0009 BFGS: 2029 16:43:49 3.844683 0.9993 BFGS: 2030 16:43:49 3.834574 0.9976 BFGS: 2031 16:43:49 3.824483 0.9960 BFGS: 2032 16:43:49 3.814412 0.9943 BFGS: 2033 16:43:49 3.804360 0.9927 BFGS: 2034 16:43:49 3.794326 0.9911 BFGS: 2035 16:43:49 3.784311 0.9894 BFGS: 2036 16:43:49 3.774316 0.9878 BFGS: 2037 16:43:49 3.764339 0.9862 BFGS: 2038 16:43:49 3.754381 0.9845 BFGS: 2039 16:43:49 3.744441 0.9829 BFGS: 2040 16:43:49 3.734521 0.9813 BFGS: 2041 16:43:49 3.724619 0.9796 BFGS: 2042 16:43:49 3.714736 0.9780 BFGS: 2043 16:43:49 3.704872 0.9764 BFGS: 2044 16:43:49 3.695026 0.9748 BFGS: 2045 16:43:49 3.685199 0.9732 BFGS: 2046 16:43:49 3.675390 0.9715 BFGS: 2047 16:43:49 3.665600 0.9699 BFGS: 2048 16:43:49 3.655828 0.9683 BFGS: 2049 16:43:49 3.646076 0.9667 BFGS: 2050 16:43:49 3.636341 0.9651 BFGS: 2051 16:43:49 3.626625 0.9635 BFGS: 2052 16:43:49 3.616927 0.9619 BFGS: 2053 16:43:49 3.607248 0.9603 BFGS: 2054 16:43:49 3.597587 0.9587 BFGS: 2055 16:43:50 3.587945 0.9571 BFGS: 2056 16:43:50 3.578321 0.9555 BFGS: 2057 16:43:50 3.568715 0.9539 BFGS: 2058 16:43:50 3.559127 0.9523 BFGS: 2059 16:43:50 3.549558 0.9507 BFGS: 2060 16:43:50 3.540007 0.9491 BFGS: 2061 16:43:50 3.530474 0.9476 BFGS: 2062 16:43:50 3.520959 0.9460 BFGS: 2063 16:43:50 3.511463 0.9444 BFGS: 2064 16:43:50 3.501984 0.9428 BFGS: 2065 16:43:50 3.492524 0.9412 BFGS: 2066 16:43:50 3.483082 0.9397 BFGS: 2067 16:43:50 3.473658 0.9381 BFGS: 2068 16:43:50 3.464251 0.9365 BFGS: 2069 16:43:50 3.454863 0.9349 BFGS: 2070 16:43:50 3.445493 0.9334 BFGS: 2071 16:43:50 3.436140 0.9318 BFGS: 2072 16:43:50 3.426806 0.9302 BFGS: 2073 16:43:50 3.417489 0.9287 BFGS: 2074 16:43:50 3.408191 0.9271 BFGS: 2075 16:43:50 3.398910 0.9256 BFGS: 2076 16:43:50 3.389647 0.9240 BFGS: 2077 16:43:50 3.380402 0.9225 BFGS: 2078 16:43:50 3.371174 0.9209 BFGS: 2079 16:43:50 3.361965 0.9194 BFGS: 2080 16:43:50 3.352773 0.9178 BFGS: 2081 16:43:50 3.343598 0.9163 BFGS: 2082 16:43:50 3.334442 0.9147 BFGS: 2083 16:43:50 3.325303 0.9132 BFGS: 2084 16:43:50 3.316181 0.9116 BFGS: 2085 16:43:50 3.307077 0.9101 BFGS: 2086 16:43:50 3.297991 0.9086 BFGS: 2087 16:43:50 3.288923 0.9070 BFGS: 2088 16:43:50 3.279871 0.9055 BFGS: 2089 16:43:50 3.270838 0.9040 BFGS: 2090 16:43:50 3.261822 0.9024 BFGS: 2091 16:43:50 3.252823 0.9009 BFGS: 2092 16:43:50 3.243842 0.8994 BFGS: 2093 16:43:50 3.234878 0.8978 BFGS: 2094 16:43:50 3.225931 0.8963 BFGS: 2095 16:43:50 3.217002 0.8948 BFGS: 2096 16:43:50 3.208090 0.8933 BFGS: 2097 16:43:50 3.199196 0.8918 BFGS: 2098 16:43:50 3.190319 0.8903 BFGS: 2099 16:43:50 3.181459 0.8887 BFGS: 2100 16:43:50 3.172616 0.8872 BFGS: 2101 16:43:50 3.163790 0.8857 BFGS: 2102 16:43:50 3.154982 0.8842 BFGS: 2103 16:43:50 3.146191 0.8827 BFGS: 2104 16:43:50 3.137417 0.8812 BFGS: 2105 16:43:50 3.128660 0.8797 BFGS: 2106 16:43:50 3.119920 0.8782 BFGS: 2107 16:43:50 3.111198 0.8767 BFGS: 2108 16:43:50 3.102492 0.8752 BFGS: 2109 16:43:50 3.093803 0.8737 BFGS: 2110 16:43:50 3.085132 0.8722 BFGS: 2111 16:43:50 3.076477 0.8707 BFGS: 2112 16:43:50 3.067839 0.8692 BFGS: 2113 16:43:50 3.059219 0.8678 BFGS: 2114 16:43:50 3.050615 0.8663 BFGS: 2115 16:43:50 3.042028 0.8648 BFGS: 2116 16:43:50 3.033458 0.8633 BFGS: 2117 16:43:50 3.024905 0.8618 BFGS: 2118 16:43:50 3.016368 0.8603 BFGS: 2119 16:43:50 3.007849 0.8589 BFGS: 2120 16:43:50 2.999346 0.8574 BFGS: 2121 16:43:50 2.990860 0.8559 BFGS: 2122 16:43:50 2.982391 0.8545 BFGS: 2123 16:43:50 2.973938 0.8530 BFGS: 2124 16:43:50 2.965503 0.8515 BFGS: 2125 16:43:50 2.957083 0.8501 BFGS: 2126 16:43:50 2.948681 0.8486 BFGS: 2127 16:43:50 2.940295 0.8471 BFGS: 2128 16:43:50 2.931926 0.8457 BFGS: 2129 16:43:50 2.923573 0.8442 BFGS: 2130 16:43:50 2.915237 0.8428 BFGS: 2131 16:43:50 2.906917 0.8413 BFGS: 2132 16:43:50 2.898614 0.8398 BFGS: 2133 16:43:50 2.890327 0.8384 BFGS: 2134 16:43:50 2.882057 0.8369 BFGS: 2135 16:43:50 2.873804 0.8355 BFGS: 2136 16:43:50 2.865566 0.8340 BFGS: 2137 16:43:50 2.857346 0.8326 BFGS: 2138 16:43:50 2.849141 0.8312 BFGS: 2139 16:43:50 2.840953 0.8297 BFGS: 2140 16:43:50 2.832781 0.8283 BFGS: 2141 16:43:50 2.824626 0.8268 BFGS: 2142 16:43:50 2.816487 0.8254 BFGS: 2143 16:43:50 2.808364 0.8240 BFGS: 2144 16:43:50 2.800258 0.8225 BFGS: 2145 16:43:50 2.792167 0.8211 BFGS: 2146 16:43:50 2.784093 0.8197 BFGS: 2147 16:43:50 2.776035 0.8183 BFGS: 2148 16:43:50 2.767994 0.8168 BFGS: 2149 16:43:50 2.759968 0.8154 BFGS: 2150 16:43:50 2.751959 0.8140 BFGS: 2151 16:43:50 2.743965 0.8126 BFGS: 2152 16:43:50 2.735988 0.8112 BFGS: 2153 16:43:50 2.728027 0.8097 BFGS: 2154 16:43:50 2.720082 0.8083 BFGS: 2155 16:43:50 2.712153 0.8069 BFGS: 2156 16:43:50 2.704240 0.8055 BFGS: 2157 16:43:50 2.696343 0.8041 BFGS: 2158 16:43:50 2.688462 0.8027 BFGS: 2159 16:43:50 2.680597 0.8013 BFGS: 2160 16:43:50 2.672748 0.7999 BFGS: 2161 16:43:50 2.664914 0.7985 BFGS: 2162 16:43:50 2.657097 0.7971 BFGS: 2163 16:43:50 2.649295 0.7957 BFGS: 2164 16:43:50 2.641510 0.7943 BFGS: 2165 16:43:50 2.633740 0.7929 BFGS: 2166 16:43:50 2.625986 0.7915 BFGS: 2167 16:43:50 2.618248 0.7901 BFGS: 2168 16:43:50 2.610525 0.7887 BFGS: 2169 16:43:50 2.602818 0.7873 BFGS: 2170 16:43:50 2.595127 0.7859 BFGS: 2171 16:43:50 2.587452 0.7845 BFGS: 2172 16:43:50 2.579792 0.7832 BFGS: 2173 16:43:50 2.572148 0.7818 BFGS: 2174 16:43:50 2.564520 0.7804 BFGS: 2175 16:43:50 2.556907 0.7790 BFGS: 2176 16:43:50 2.549310 0.7776 BFGS: 2177 16:43:50 2.541729 0.7763 BFGS: 2178 16:43:50 2.534163 0.7749 BFGS: 2179 16:43:50 2.526613 0.7735 BFGS: 2180 16:43:50 2.519078 0.7721 BFGS: 2181 16:43:50 2.511558 0.7708 BFGS: 2182 16:43:50 2.504055 0.7694 BFGS: 2183 16:43:50 2.496566 0.7680 BFGS: 2184 16:43:50 2.489093 0.7667 BFGS: 2185 16:43:50 2.481636 0.7653 BFGS: 2186 16:43:50 2.474194 0.7640 BFGS: 2187 16:43:50 2.466767 0.7626 BFGS: 2188 16:43:50 2.459356 0.7612 BFGS: 2189 16:43:50 2.451960 0.7599 BFGS: 2190 16:43:50 2.444579 0.7585 BFGS: 2191 16:43:50 2.437214 0.7572 BFGS: 2192 16:43:50 2.429863 0.7558 BFGS: 2193 16:43:50 2.422529 0.7545 BFGS: 2194 16:43:50 2.415209 0.7531 BFGS: 2195 16:43:50 2.407905 0.7518 BFGS: 2196 16:43:50 2.400616 0.7504 BFGS: 2197 16:43:50 2.393342 0.7491 BFGS: 2198 16:43:50 2.386083 0.7477 BFGS: 2199 16:43:50 2.378840 0.7464 BFGS: 2200 16:43:50 2.371611 0.7451 BFGS: 2201 16:43:50 2.364398 0.7437 BFGS: 2202 16:43:50 2.357200 0.7424 BFGS: 2203 16:43:50 2.350017 0.7411 BFGS: 2204 16:43:50 2.342849 0.7397 BFGS: 2205 16:43:50 2.335696 0.7384 BFGS: 2206 16:43:50 2.328558 0.7371 BFGS: 2207 16:43:50 2.321435 0.7357 BFGS: 2208 16:43:50 2.314327 0.7344 BFGS: 2209 16:43:50 2.307234 0.7331 BFGS: 2210 16:43:50 2.300156 0.7318 BFGS: 2211 16:43:50 2.293093 0.7305 BFGS: 2212 16:43:50 2.286044 0.7291 BFGS: 2213 16:43:50 2.279011 0.7278 BFGS: 2214 16:43:50 2.271993 0.7265 BFGS: 2215 16:43:50 2.264989 0.7252 BFGS: 2216 16:43:50 2.258000 0.7239 BFGS: 2217 16:43:50 2.251026 0.7226 BFGS: 2218 16:43:50 2.244067 0.7213 BFGS: 2219 16:43:50 2.237123 0.7199 BFGS: 2220 16:43:50 2.230193 0.7186 BFGS: 2221 16:43:50 2.223279 0.7173 BFGS: 2222 16:43:50 2.216379 0.7160 BFGS: 2223 16:43:50 2.209493 0.7147 BFGS: 2224 16:43:50 2.202622 0.7134 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0.265658 0.2172 BFGS: 2725 16:43:52 0.264072 0.2164 BFGS: 2726 16:43:52 0.262493 0.2157 BFGS: 2727 16:43:52 0.260921 0.2149 BFGS: 2728 16:43:52 0.259355 0.2142 BFGS: 2729 16:43:52 0.257795 0.2134 BFGS: 2730 16:43:52 0.256243 0.2127 BFGS: 2731 16:43:52 0.254697 0.2119 BFGS: 2732 16:43:52 0.253157 0.2112 BFGS: 2733 16:43:52 0.251624 0.2105 BFGS: 2734 16:43:52 0.250098 0.2097 BFGS: 2735 16:43:52 0.248578 0.2090 BFGS: 2736 16:43:52 0.247064 0.2083 BFGS: 2737 16:43:52 0.245557 0.2076 BFGS: 2738 16:43:52 0.244056 0.2069 BFGS: 2739 16:43:52 0.242561 0.2062 BFGS: 2740 16:43:52 0.241073 0.2055 BFGS: 2741 16:43:52 0.239591 0.2048 BFGS: 2742 16:43:52 0.238115 0.2041 BFGS: 2743 16:43:53 0.236646 0.2035 BFGS: 2744 16:43:53 0.235183 0.2028 BFGS: 2745 16:43:53 0.233726 0.2021 BFGS: 2746 16:43:53 0.232275 0.2014 BFGS: 2747 16:43:53 0.230831 0.2007 BFGS: 2748 16:43:53 0.229393 0.2000 BFGS: 2749 16:43:53 0.227961 0.1993 BFGS: 2750 16:43:53 0.226536 0.1986 BFGS: 2751 16:43:53 0.225116 0.1980 BFGS: 2752 16:43:53 0.223703 0.1973 BFGS: 2753 16:43:53 0.222296 0.1966 BFGS: 2754 16:43:53 0.220895 0.1959 BFGS: 2755 16:43:53 0.219501 0.1952 BFGS: 2756 16:43:53 0.218112 0.1946 BFGS: 2757 16:43:53 0.216730 0.1939 BFGS: 2758 16:43:53 0.215354 0.1932 BFGS: 2759 16:43:53 0.213984 0.1925 BFGS: 2760 16:43:53 0.212621 0.1918 BFGS: 2761 16:43:53 0.211263 0.1912 BFGS: 2762 16:43:53 0.209912 0.1905 BFGS: 2763 16:43:53 0.208566 0.1898 BFGS: 2764 16:43:53 0.207227 0.1891 BFGS: 2765 16:43:53 0.205894 0.1885 BFGS: 2766 16:43:53 0.204567 0.1878 BFGS: 2767 16:43:53 0.203246 0.1871 BFGS: 2768 16:43:53 0.201931 0.1865 BFGS: 2769 16:43:53 0.200622 0.1858 BFGS: 2770 16:43:53 0.199320 0.1851 BFGS: 2771 16:43:53 0.198023 0.1844 BFGS: 2772 16:43:53 0.196732 0.1838 BFGS: 2773 16:43:53 0.195448 0.1831 BFGS: 2774 16:43:53 0.194169 0.1824 BFGS: 2775 16:43:53 0.192897 0.1818 BFGS: 2776 16:43:53 0.191630 0.1811 BFGS: 2777 16:43:53 0.190370 0.1804 BFGS: 2778 16:43:53 0.189115 0.1798 BFGS: 2779 16:43:53 0.187867 0.1791 BFGS: 2780 16:43:53 0.186624 0.1785 BFGS: 2781 16:43:53 0.185387 0.1778 BFGS: 2782 16:43:53 0.184154 0.1771 BFGS: 2783 16:43:53 0.182926 0.1765 BFGS: 2784 16:43:53 0.181703 0.1758 BFGS: 2785 16:43:53 0.180484 0.1752 BFGS: 2786 16:43:53 0.179270 0.1745 BFGS: 2787 16:43:53 0.178060 0.1738 BFGS: 2788 16:43:53 0.176855 0.1732 BFGS: 2789 16:43:53 0.175654 0.1725 BFGS: 2790 16:43:53 0.174458 0.1719 BFGS: 2791 16:43:53 0.173266 0.1712 BFGS: 2792 16:43:53 0.172079 0.1706 BFGS: 2793 16:43:53 0.170897 0.1699 BFGS: 2794 16:43:53 0.169719 0.1693 BFGS: 2795 16:43:53 0.168546 0.1686 BFGS: 2796 16:43:53 0.167377 0.1680 BFGS: 2797 16:43:53 0.166212 0.1673 BFGS: 2798 16:43:53 0.165053 0.1667 BFGS: 2799 16:43:53 0.163897 0.1660 BFGS: 2800 16:43:53 0.162746 0.1654 BFGS: 2801 16:43:53 0.161600 0.1647 BFGS: 2802 16:43:53 0.160458 0.1641 BFGS: 2803 16:43:53 0.159321 0.1634 BFGS: 2804 16:43:53 0.158188 0.1628 BFGS: 2805 16:43:53 0.157059 0.1621 BFGS: 2806 16:43:53 0.155935 0.1615 BFGS: 2807 16:43:53 0.154816 0.1609 BFGS: 2808 16:43:53 0.153701 0.1602 BFGS: 2809 16:43:53 0.152590 0.1596 BFGS: 2810 16:43:53 0.151484 0.1589 BFGS: 2811 16:43:53 0.150382 0.1583 BFGS: 2812 16:43:53 0.149285 0.1577 BFGS: 2813 16:43:53 0.148192 0.1570 BFGS: 2814 16:43:53 0.147104 0.1564 BFGS: 2815 16:43:53 0.146020 0.1558 BFGS: 2816 16:43:53 0.144940 0.1551 BFGS: 2817 16:43:53 0.143865 0.1545 BFGS: 2818 16:43:53 0.142794 0.1538 BFGS: 2819 16:43:53 0.141728 0.1532 BFGS: 2820 16:43:53 0.140666 0.1526 BFGS: 2821 16:43:53 0.139608 0.1519 BFGS: 2822 16:43:53 0.138555 0.1513 BFGS: 2823 16:43:53 0.137507 0.1507 BFGS: 2824 16:43:53 0.136462 0.1501 BFGS: 2825 16:43:53 0.135422 0.1494 BFGS: 2826 16:43:53 0.134387 0.1488 BFGS: 2827 16:43:53 0.133355 0.1482 BFGS: 2828 16:43:53 0.132328 0.1475 BFGS: 2829 16:43:53 0.131306 0.1469 BFGS: 2830 16:43:53 0.130288 0.1463 BFGS: 2831 16:43:53 0.129274 0.1457 BFGS: 2832 16:43:53 0.128264 0.1450 BFGS: 2833 16:43:53 0.127259 0.1444 BFGS: 2834 16:43:53 0.126258 0.1438 BFGS: 2835 16:43:53 0.125262 0.1432 BFGS: 2836 16:43:53 0.124269 0.1425 BFGS: 2837 16:43:53 0.123282 0.1419 BFGS: 2838 16:43:53 0.122298 0.1413 BFGS: 2839 16:43:53 0.121319 0.1407 BFGS: 2840 16:43:53 0.120344 0.1401 BFGS: 2841 16:43:53 0.119373 0.1394 BFGS: 2842 16:43:53 0.118407 0.1388 BFGS: 2843 16:43:53 0.117445 0.1382 BFGS: 2844 16:43:53 0.116487 0.1376 BFGS: 2845 16:43:53 0.115533 0.1370 BFGS: 2846 16:43:53 0.114584 0.1364 BFGS: 2847 16:43:53 0.113639 0.1357 BFGS: 2848 16:43:53 0.112699 0.1351 BFGS: 2849 16:43:53 0.111762 0.1345 BFGS: 2850 16:43:53 0.110830 0.1339 BFGS: 2851 16:43:53 0.109902 0.1333 BFGS: 2852 16:43:53 0.108978 0.1327 BFGS: 2853 16:43:53 0.108059 0.1321 BFGS: 2854 16:43:53 0.107144 0.1315 BFGS: 2855 16:43:53 0.106233 0.1309 BFGS: 2856 16:43:53 0.105326 0.1302 BFGS: 2857 16:43:53 0.104423 0.1296 BFGS: 2858 16:43:53 0.103525 0.1290 BFGS: 2859 16:43:53 0.102631 0.1284 BFGS: 2860 16:43:53 0.101741 0.1278 BFGS: 2861 16:43:53 0.100856 0.1272 BFGS: 2862 16:43:53 0.099974 0.1266 BFGS: 2863 16:43:53 0.099097 0.1260 BFGS: 2864 16:43:53 0.098224 0.1254 BFGS: 2865 16:43:53 0.097355 0.1248 BFGS: 2866 16:43:53 0.096490 0.1242 BFGS: 2867 16:43:53 0.095630 0.1236 BFGS: 2868 16:43:53 0.094773 0.1230 BFGS: 2869 16:43:53 0.093921 0.1224 BFGS: 2870 16:43:53 0.093073 0.1218 BFGS: 2871 16:43:53 0.092229 0.1212 BFGS: 2872 16:43:53 0.091390 0.1206 BFGS: 2873 16:43:53 0.090554 0.1200 BFGS: 2874 16:43:53 0.089723 0.1194 BFGS: 2875 16:43:53 0.088895 0.1188 BFGS: 2876 16:43:53 0.088072 0.1182 BFGS: 2877 16:43:53 0.087253 0.1176 BFGS: 2878 16:43:53 0.086438 0.1170 BFGS: 2879 16:43:53 0.085628 0.1164 BFGS: 2880 16:43:53 0.084821 0.1158 BFGS: 2881 16:43:53 0.084019 0.1152 BFGS: 2882 16:43:53 0.083220 0.1147 BFGS: 2883 16:43:53 0.082426 0.1141 BFGS: 2884 16:43:53 0.081636 0.1135 BFGS: 2885 16:43:53 0.080850 0.1129 BFGS: 2886 16:43:53 0.080068 0.1123 BFGS: 2887 16:43:53 0.079290 0.1117 BFGS: 2888 16:43:53 0.078516 0.1111 BFGS: 2889 16:43:53 0.077746 0.1105 BFGS: 2890 16:43:53 0.076980 0.1099 BFGS: 2891 16:43:53 0.076219 0.1094 BFGS: 2892 16:43:53 0.075461 0.1088 BFGS: 2893 16:43:53 0.074708 0.1082 BFGS: 2894 16:43:53 0.073958 0.1076 BFGS: 2895 16:43:53 0.073213 0.1070 BFGS: 2896 16:43:53 0.072472 0.1064 BFGS: 2897 16:43:53 0.071734 0.1059 BFGS: 2898 16:43:53 0.071001 0.1053 BFGS: 2899 16:43:53 0.070272 0.1047 BFGS: 2900 16:43:53 0.069547 0.1041 BFGS: 2901 16:43:53 0.068826 0.1035 BFGS: 2902 16:43:53 0.068109 0.1030 BFGS: 2903 16:43:53 0.067396 0.1024 BFGS: 2904 16:43:53 0.066686 0.1018 BFGS: 2905 16:43:53 0.065981 0.1012 BFGS: 2906 16:43:53 0.065280 0.1007 BFGS: 2907 16:43:53 0.064583 0.1001 BFGS: 2908 16:43:53 0.063890 0.0995 BFGS: 2909 16:43:53 0.063201 0.0989 BFGS: 2910 16:43:53 0.062516 0.0984 BFGS: 2911 16:43:53 0.061835 0.0978 BFGS: 2912 16:43:53 0.061158 0.0972 BFGS: 2913 16:43:53 0.060485 0.0966 BFGS: 2914 16:43:53 0.059815 0.0961 BFGS: 2915 16:43:53 0.059150 0.0955 BFGS: 2916 16:43:53 0.058489 0.0949 BFGS: 2917 16:43:53 0.057832 0.0944 BFGS: 2918 16:43:53 0.057178 0.0938 BFGS: 2919 16:43:53 0.056529 0.0932 BFGS: 2920 16:43:53 0.055883 0.0926 BFGS: 2921 16:43:53 0.055242 0.0921 BFGS: 2922 16:43:53 0.054604 0.0915 BFGS: 2923 16:43:53 0.053971 0.0909 BFGS: 2924 16:43:53 0.053341 0.0904 BFGS: 2925 16:43:53 0.052715 0.0898 BFGS: 2926 16:43:53 0.052093 0.0893 BFGS: 2927 16:43:53 0.051475 0.0887 BFGS: 2928 16:43:53 0.050861 0.0881 BFGS: 2929 16:43:53 0.050251 0.0876 BFGS: 2930 16:43:53 0.049645 0.0870 BFGS: 2931 16:43:53 0.049043 0.0864 BFGS: 2932 16:43:53 0.048444 0.0859 BFGS: 2933 16:43:53 0.047850 0.0853 BFGS: 2934 16:43:53 0.047259 0.0848 BFGS: 2935 16:43:53 0.046672 0.0842 BFGS: 2936 16:43:53 0.046089 0.0836 BFGS: 2937 16:43:53 0.045510 0.0831 BFGS: 2938 16:43:53 0.044935 0.0825 BFGS: 2939 16:43:53 0.044364 0.0820 BFGS: 2940 16:43:53 0.043796 0.0814 BFGS: 2941 16:43:53 0.043233 0.0809 BFGS: 2942 16:43:53 0.042673 0.0803 BFGS: 2943 16:43:53 0.042117 0.0798 BFGS: 2944 16:43:53 0.041565 0.0792 BFGS: 2945 16:43:53 0.041017 0.0787 BFGS: 2946 16:43:53 0.040472 0.0781 BFGS: 2947 16:43:53 0.039932 0.0775 BFGS: 2948 16:43:53 0.039395 0.0770 BFGS: 2949 16:43:53 0.038862 0.0764 BFGS: 2950 16:43:53 0.038333 0.0759 BFGS: 2951 16:43:53 0.037808 0.0753 BFGS: 2952 16:43:53 0.037286 0.0748 BFGS: 2953 16:43:53 0.036769 0.0743 BFGS: 2954 16:43:53 0.036255 0.0737 BFGS: 2955 16:43:53 0.035745 0.0732 BFGS: 2956 16:43:53 0.035239 0.0726 BFGS: 2957 16:43:53 0.034736 0.0721 BFGS: 2958 16:43:53 0.034238 0.0715 BFGS: 2959 16:43:53 0.033743 0.0710 BFGS: 2960 16:43:53 0.033252 0.0704 BFGS: 2961 16:43:53 0.032764 0.0699 BFGS: 2962 16:43:53 0.032281 0.0693 BFGS: 2963 16:43:53 0.031801 0.0688 BFGS: 2964 16:43:53 0.031325 0.0683 BFGS: 2965 16:43:53 0.030853 0.0677 BFGS: 2966 16:43:53 0.030384 0.0672 BFGS: 2967 16:43:53 0.029920 0.0666 BFGS: 2968 16:43:53 0.029459 0.0661 BFGS: 2969 16:43:53 0.029001 0.0656 BFGS: 2970 16:43:53 0.028548 0.0650 BFGS: 2971 16:43:53 0.028098 0.0645 BFGS: 2972 16:43:53 0.027652 0.0640 BFGS: 2973 16:43:54 0.027210 0.0634 BFGS: 2974 16:43:54 0.026771 0.0629 BFGS: 2975 16:43:54 0.026336 0.0623 BFGS: 2976 16:43:54 0.025905 0.0618 BFGS: 2977 16:43:54 0.025477 0.0613 BFGS: 2978 16:43:54 0.025054 0.0607 BFGS: 2979 16:43:54 0.024634 0.0602 BFGS: 2980 16:43:54 0.024217 0.0597 BFGS: 2981 16:43:54 0.023805 0.0591 BFGS: 2982 16:43:54 0.023396 0.0586 BFGS: 2983 16:43:54 0.022990 0.0581 BFGS: 2984 16:43:54 0.022589 0.0576 BFGS: 2985 16:43:54 0.022191 0.0570 BFGS: 2986 16:43:54 0.021797 0.0565 BFGS: 2987 16:43:54 0.021406 0.0560 BFGS: 2988 16:43:54 0.021019 0.0554 BFGS: 2989 16:43:54 0.020636 0.0549 BFGS: 2990 16:43:54 0.020257 0.0544 BFGS: 2991 16:43:54 0.019881 0.0539 BFGS: 2992 16:43:54 0.019508 0.0533 BFGS: 2993 16:43:54 0.019140 0.0528 BFGS: 2994 16:43:54 0.018775 0.0523 BFGS: 2995 16:43:54 0.018413 0.0518 BFGS: 2996 16:43:54 0.018056 0.0512 BFGS: 2997 16:43:54 0.017702 0.0507 BFGS: 2998 16:43:54 0.017351 0.0502 BFGS: 2999 16:43:54 0.017005 0.0497 BFGS: 3000 16:43:54 0.016661 0.0491 BFGS: 3001 16:43:54 0.016322 0.0486 BFGS: 3002 16:43:54 0.015986 0.0481 BFGS: 3003 16:43:54 0.015654 0.0476 BFGS: 3004 16:43:54 0.015325 0.0471 BFGS: 3005 16:43:54 0.015000 0.0466 BFGS: 3006 16:43:54 0.014678 0.0460 BFGS: 3007 16:43:54 0.014360 0.0455 BFGS: 3008 16:43:54 0.014046 0.0450 BFGS: 3009 16:43:54 0.013735 0.0445 BFGS: 3010 16:43:54 0.013428 0.0440 BFGS: 3011 16:43:54 0.013124 0.0435 BFGS: 3012 16:43:54 0.012824 0.0429 BFGS: 3013 16:43:54 0.012528 0.0424 BFGS: 3014 16:43:54 0.012235 0.0419 BFGS: 3015 16:43:54 0.011946 0.0414 BFGS: 3016 16:43:54 0.011660 0.0409 BFGS: 3017 16:43:54 0.011378 0.0404 BFGS: 3018 16:43:54 0.011099 0.0399 BFGS: 3019 16:43:54 0.010824 0.0393 BFGS: 3020 16:43:54 0.010553 0.0388 BFGS: 3021 16:43:54 0.010285 0.0383 BFGS: 3022 16:43:54 0.010020 0.0378 BFGS: 3023 16:43:54 0.009759 0.0373 BFGS: 3024 16:43:54 0.009502 0.0368 BFGS: 3025 16:43:54 0.009248 0.0363 BFGS: 3026 16:43:54 0.008998 0.0358 BFGS: 3027 16:43:54 0.008751 0.0353 BFGS: 3028 16:43:54 0.008508 0.0348 BFGS: 3029 16:43:54 0.008268 0.0343 BFGS: 3030 16:43:54 0.008032 0.0338 BFGS: 3031 16:43:54 0.007799 0.0333 BFGS: 3032 16:43:54 0.007570 0.0328 BFGS: 3033 16:43:54 0.007344 0.0323 BFGS: 3034 16:43:54 0.007122 0.0317 BFGS: 3035 16:43:54 0.006903 0.0312 BFGS: 3036 16:43:54 0.006688 0.0307 BFGS: 3037 16:43:54 0.006476 0.0302 BFGS: 3038 16:43:54 0.006268 0.0297 BFGS: 3039 16:43:54 0.006063 0.0292 BFGS: 3040 16:43:54 0.005861 0.0287 BFGS: 3041 16:43:54 0.005664 0.0282 BFGS: 3042 16:43:54 0.005469 0.0277 BFGS: 3043 16:43:54 0.005278 0.0272 BFGS: 3044 16:43:54 0.005091 0.0267 BFGS: 3045 16:43:54 0.004907 0.0263 BFGS: 3046 16:43:54 0.004726 0.0258 BFGS: 3047 16:43:54 0.004549 0.0253 BFGS: 3048 16:43:54 0.004375 0.0248 BFGS: 3049 16:43:54 0.004205 0.0243 BFGS: 3050 16:43:54 0.004038 0.0238 BFGS: 3051 16:43:54 0.003875 0.0233 BFGS: 3052 16:43:54 0.003715 0.0228 BFGS: 3053 16:43:54 0.003558 0.0223 BFGS: 3054 16:43:54 0.003405 0.0218 BFGS: 3055 16:43:54 0.003255 0.0213 BFGS: 3056 16:43:54 0.003109 0.0208 BFGS: 3057 16:43:54 0.002966 0.0203 BFGS: 3058 16:43:54 0.002827 0.0198 BFGS: 3059 16:43:54 0.002691 0.0193 BFGS: 3060 16:43:54 0.002558 0.0189 BFGS: 3061 16:43:54 0.002429 0.0184 BFGS: 3062 16:43:54 0.002303 0.0179 BFGS: 3063 16:43:54 0.002180 0.0174 BFGS: 3064 16:43:54 0.002061 0.0169 BFGS: 3065 16:43:54 0.001946 0.0164 BFGS: 3066 16:43:54 0.001833 0.0159 BFGS: 3067 16:43:54 0.001724 0.0154 BFGS: 3068 16:43:54 0.001619 0.0150 BFGS: 3069 16:43:54 0.001517 0.0145 BFGS: 3070 16:43:54 0.001418 0.0140 BFGS: 3071 16:43:54 0.001322 0.0135 BFGS: 3072 16:43:54 0.001230 0.0130 BFGS: 3073 16:43:54 0.001141 0.0125 BFGS: 3074 16:43:54 0.001056 0.0121 BFGS: 3075 16:43:54 0.000974 0.0116 BFGS: 3076 16:43:54 0.000895 0.0111 BFGS: 3077 16:43:54 0.000820 0.0106 BFGS: 3078 16:43:54 0.000748 0.0101 BFGS: 3079 16:43:54 0.000679 0.0097 BFGS: 3080 16:43:54 0.000614 0.0092 BFGS: 3081 16:43:54 0.000552 0.0087 BFGS: 3082 16:43:54 0.000493 0.0082 BFGS: 3083 16:43:54 0.000438 0.0077 BFGS: 3084 16:43:54 0.000385 0.0073 BFGS: 3085 16:43:54 0.000337 0.0068 BFGS: 3086 16:43:54 0.000291 0.0063 BFGS: 3087 16:43:54 0.000249 0.0058 BFGS: 3088 16:43:54 0.000210 0.0054 BFGS: 3089 16:43:54 0.000175 0.0049 BFGS: 3090 16:43:54 0.000143 0.0044 BFGS: 3091 16:43:54 0.000114 0.0039 BFGS: 3092 16:43:54 0.000088 0.0035 BFGS: 3093 16:43:54 0.000066 0.0030 BFGS: 3094 16:43:54 0.000046 0.0025 BFGS: 3095 16:43:54 0.000031 0.0020 BFGS: 3096 16:43:54 0.000018 0.0016 BFGS: 3097 16:43:54 0.000009 0.0011 BFGS: 3098 16:43:54 0.000003 0.0006 BFGS: 3099 16:43:54 0.000000 0.0002 BFGS: 3100 16:43:54 0.000000 0.0000 BFGS: 3101 16:43:54 0.000000 0.0000 Minimization converged after 3101 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.435214006463086e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[6.33703008e-01 0.00000000e+00 1.01002748e-32] [3.66296992e-01 2.59887695e-33 0.00000000e+00] [1.33703008e-01 5.00000000e-01 1.01499545e-32] [8.66296992e-01 5.00000000e-01 0.00000000e+00] [8.50801492e-01 2.14553849e-35 5.00000000e-01] [1.49198508e-01 2.04986499e-35 5.00000000e-01] [3.50801492e-01 5.00000000e-01 5.00000000e-01] [6.49198508e-01 5.00000000e-01 5.00000000e-01]] cellpar = Cell([[30.95270905631361, 1.7505155791096393e-33, 0.0], [1.4825468745589018e-33, 54.98295045992187, 0.0], [0.0, 0.0, 7.349999999914852]]) 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.]] stress = [ 0.00000000e+00 0.00000000e+00 -3.43521401e-14 0.00000000e+00 0.00000000e+00 0.00000000e+00] 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