element(s): ['O'] AFLOW prototype label: A_mC16_12_2ij Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.8714', '0.72872376', '0.90691435', '149.5346', '0.035798797', '0.8320927', '0.27785058', '0.13359954', '0.37903066', '0.26389389', '0.84925787'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O'] representative atom coordinates = [[0.7962939 0. 0.76049511] [0.85574896 0. 0.57789838] [0.97022721 0.76389389 0.09119655]] spacegroup = 12 cell = [[9.5678, 0, 0], [0, 6.4648, 0], [-2.4667174184809, 0, 3.7823205228224]] ========================================= Step Time Energy fmax BFGS: 0 16:12:36 1880.634583 970.5656 BFGS: 1 16:12:36 1294.041910 512.3669 BFGS: 2 16:12:36 1261.008081 496.1273 BFGS: 3 16:12:36 1235.664411 538.2789 BFGS: 4 16:12:36 1206.415723 515.5396 BFGS: 5 16:12:36 1180.307763 500.0706 BFGS: 6 16:12:36 1154.608608 484.4040 BFGS: 7 16:12:36 1122.819782 463.0245 BFGS: 8 16:12:36 1094.991755 447.5447 BFGS: 9 16:12:36 1066.794760 431.5748 BFGS: 10 16:12:36 1039.072133 414.7471 BFGS: 11 16:12:36 1016.251504 401.7812 BFGS: 12 16:12:36 996.604179 391.0297 BFGS: 13 16:12:36 979.119674 381.7056 BFGS: 14 16:12:36 963.220730 373.3960 BFGS: 15 16:12:36 948.538836 365.8493 BFGS: 16 16:12:36 934.825447 358.9012 BFGS: 17 16:12:36 921.910759 352.4439 BFGS: 18 16:12:36 909.660341 346.3902 BFGS: 19 16:12:36 897.972490 340.6752 BFGS: 20 16:12:36 886.770077 335.2500 BFGS: 21 16:12:36 875.990032 330.0737 BFGS: 22 16:12:36 865.586292 325.1165 BFGS: 23 16:12:36 855.519099 320.3543 BFGS: 24 16:12:36 845.754908 315.7672 BFGS: 25 16:12:37 836.265518 311.3386 BFGS: 26 16:12:37 827.026291 307.0522 BFGS: 27 16:12:37 818.016055 302.8943 BFGS: 28 16:12:37 809.216822 298.8537 BFGS: 29 16:12:37 800.613153 294.9204 BFGS: 30 16:12:37 792.192107 291.0865 BFGS: 31 16:12:37 783.942360 287.3452 BFGS: 32 16:12:37 775.853760 283.6905 BFGS: 33 16:12:37 767.917323 280.1169 BFGS: 34 16:12:37 760.125012 276.6192 BFGS: 35 16:12:37 752.472309 273.1949 BFGS: 36 16:12:37 744.952918 269.8400 BFGS: 37 16:12:37 737.561593 266.5508 BFGS: 38 16:12:37 730.294847 263.3257 BFGS: 39 16:12:37 723.154279 260.1662 BFGS: 40 16:12:37 716.136974 257.0697 BFGS: 41 16:12:37 709.237416 254.0332 BFGS: 42 16:12:37 702.451544 251.0545 BFGS: 43 16:12:37 695.775977 248.1323 BFGS: 44 16:12:37 689.206516 245.2638 BFGS: 45 16:12:37 682.739773 242.4470 BFGS: 46 16:12:37 676.372272 239.6804 BFGS: 47 16:12:37 670.100364 236.9631 BFGS: 48 16:12:37 663.920117 234.2926 BFGS: 49 16:12:37 657.828756 231.6671 BFGS: 50 16:12:37 651.824141 229.0856 BFGS: 51 16:12:37 645.904803 226.5476 BFGS: 52 16:12:37 640.073660 224.0539 BFGS: 53 16:12:37 634.327807 221.6029 BFGS: 54 16:12:37 628.664626 219.1939 BFGS: 55 16:12:37 623.083170 216.8260 BFGS: 56 16:12:37 617.581667 214.4981 BFGS: 57 16:12:37 612.159201 212.2097 BFGS: 58 16:12:37 606.813050 209.9592 BFGS: 59 16:12:38 601.540595 207.7456 BFGS: 60 16:12:38 596.341991 205.5690 BFGS: 61 16:12:38 591.214447 203.4274 BFGS: 62 16:12:38 586.156343 201.3196 BFGS: 63 16:12:38 581.166312 199.2451 BFGS: 64 16:12:38 576.243225 197.2029 BFGS: 65 16:12:38 571.384872 195.1915 BFGS: 66 16:12:38 566.588576 193.2092 BFGS: 67 16:12:38 561.875198 191.2653 BFGS: 68 16:12:38 557.277610 189.3726 BFGS: 69 16:12:38 552.795764 187.5310 BFGS: 70 16:12:38 548.428422 185.7401 BFGS: 71 16:12:38 544.173971 183.9988 BFGS: 72 16:12:38 540.030535 182.3061 BFGS: 73 16:12:38 535.996143 180.6608 BFGS: 74 16:12:38 532.068620 179.0625 BFGS: 75 16:12:38 528.245738 177.5096 BFGS: 76 16:12:38 524.525330 176.0003 BFGS: 77 16:12:38 520.905368 174.5333 BFGS: 78 16:12:38 517.383495 173.1078 BFGS: 79 16:12:38 513.957361 171.7224 BFGS: 80 16:12:38 510.623896 170.3758 BFGS: 81 16:12:38 507.379999 169.0668 BFGS: 82 16:12:38 504.222867 167.7936 BFGS: 83 16:12:38 501.149501 166.5548 BFGS: 84 16:12:38 498.156893 165.3488 BFGS: 85 16:12:38 495.241761 164.1747 BFGS: 86 16:12:38 492.400802 163.0304 BFGS: 87 16:12:38 489.630577 161.9143 BFGS: 88 16:12:38 486.927602 160.8249 BFGS: 89 16:12:38 484.288725 159.7612 BFGS: 90 16:12:38 481.710826 158.7217 BFGS: 91 16:12:38 479.190378 157.7052 BFGS: 92 16:12:38 476.723861 156.7100 BFGS: 93 16:12:38 474.307769 155.7345 BFGS: 94 16:12:38 471.938834 154.7776 BFGS: 95 16:12:38 469.613937 153.8382 BFGS: 96 16:12:39 467.329915 152.9148 BFGS: 97 16:12:39 465.083753 152.0058 BFGS: 98 16:12:39 462.872561 151.1100 BFGS: 99 16:12:39 460.694301 150.2270 BFGS: 100 16:12:39 458.546758 149.3560 BFGS: 101 16:12:39 456.427526 148.4962 BFGS: 102 16:12:39 454.334320 147.6465 BFGS: 103 16:12:39 452.264932 146.8061 BFGS: 104 16:12:39 450.217213 145.9742 BFGS: 105 16:12:39 448.189192 145.1497 BFGS: 106 16:12:39 446.179308 144.3321 BFGS: 107 16:12:39 444.186164 143.5208 BFGS: 108 16:12:39 442.208340 142.7153 BFGS: 109 16:12:39 440.244502 141.9150 BFGS: 110 16:12:39 438.293451 141.1195 BFGS: 111 16:12:39 436.354305 140.3284 BFGS: 112 16:12:39 434.426144 139.5414 BFGS: 113 16:12:39 432.508142 138.7581 BFGS: 114 16:12:39 430.599554 137.9783 BFGS: 115 16:12:39 428.699684 137.2017 BFGS: 116 16:12:39 426.807915 136.4281 BFGS: 117 16:12:39 424.923703 135.6572 BFGS: 118 16:12:39 423.046573 134.8888 BFGS: 119 16:12:39 421.176073 134.1228 BFGS: 120 16:12:39 419.312263 133.3595 BFGS: 121 16:12:39 417.454793 132.5986 BFGS: 122 16:12:39 415.603351 131.8400 BFGS: 123 16:12:39 413.757834 131.0838 BFGS: 124 16:12:39 411.917969 130.3298 BFGS: 125 16:12:39 410.083502 129.5780 BFGS: 126 16:12:39 408.254282 128.8284 BFGS: 127 16:12:39 406.430149 128.0811 BFGS: 128 16:12:39 404.611012 127.3361 BFGS: 129 16:12:39 402.796711 126.5934 BFGS: 130 16:12:39 400.987116 125.8529 BFGS: 131 16:12:39 399.182319 125.1148 BFGS: 132 16:12:39 397.382225 124.3792 BFGS: 133 16:12:39 395.586793 123.6460 BFGS: 134 16:12:39 393.795917 122.9151 BFGS: 135 16:12:39 392.009584 122.1866 BFGS: 136 16:12:39 390.227779 121.4605 BFGS: 137 16:12:39 388.450474 120.7369 BFGS: 138 16:12:39 386.677679 120.0158 BFGS: 139 16:12:39 384.909353 119.2971 BFGS: 140 16:12:39 383.145463 118.5807 BFGS: 141 16:12:39 381.386096 117.8668 BFGS: 142 16:12:39 379.631223 117.1554 BFGS: 143 16:12:39 377.880821 116.4464 BFGS: 144 16:12:39 376.134861 115.7398 BFGS: 145 16:12:39 374.393330 115.0356 BFGS: 146 16:12:39 372.656222 114.3339 BFGS: 147 16:12:39 370.923526 113.6348 BFGS: 148 16:12:39 369.195311 112.9381 BFGS: 149 16:12:39 367.471657 112.2441 BFGS: 150 16:12:39 365.752566 111.5526 BFGS: 151 16:12:39 364.038037 110.8640 BFGS: 152 16:12:40 362.328069 110.1780 BFGS: 153 16:12:40 360.622667 109.4945 BFGS: 154 16:12:40 358.921832 108.8136 BFGS: 155 16:12:40 357.225567 108.1352 BFGS: 156 16:12:40 355.533870 107.4594 BFGS: 157 16:12:40 353.846738 106.7862 BFGS: 158 16:12:40 352.164163 106.1155 BFGS: 159 16:12:40 350.486135 105.4475 BFGS: 160 16:12:40 348.812637 104.7822 BFGS: 161 16:12:40 347.143657 104.1195 BFGS: 162 16:12:40 345.479171 103.4594 BFGS: 163 16:12:40 343.819150 102.8019 BFGS: 164 16:12:40 342.163557 102.1469 BFGS: 165 16:12:40 340.512347 101.4946 BFGS: 166 16:12:40 338.865466 100.8448 BFGS: 167 16:12:40 337.222854 100.1976 BFGS: 168 16:12:40 335.584433 99.5527 BFGS: 169 16:12:40 333.950090 98.9103 BFGS: 170 16:12:40 332.319726 98.2705 BFGS: 171 16:12:40 330.693237 97.6332 BFGS: 172 16:12:40 329.070510 96.9984 BFGS: 173 16:12:40 327.451439 96.3661 BFGS: 174 16:12:40 325.835895 95.7361 BFGS: 175 16:12:40 324.223851 95.1086 BFGS: 176 16:12:40 322.615150 94.4835 BFGS: 177 16:12:40 321.009594 93.8608 BFGS: 178 16:12:40 319.406987 93.2404 BFGS: 179 16:12:40 317.807101 92.6222 BFGS: 180 16:12:40 316.209688 92.0061 BFGS: 181 16:12:40 314.614478 91.3920 BFGS: 182 16:12:40 313.021167 90.7797 BFGS: 183 16:12:40 311.429628 90.1696 BFGS: 184 16:12:40 309.839588 89.5612 BFGS: 185 16:12:40 308.250691 88.9545 BFGS: 186 16:12:40 306.662551 88.3494 BFGS: 187 16:12:40 305.074752 87.7456 BFGS: 188 16:12:40 303.486845 87.1429 BFGS: 189 16:12:40 301.898353 86.5414 BFGS: 190 16:12:40 300.308777 85.9408 BFGS: 191 16:12:40 298.717587 85.3409 BFGS: 192 16:12:40 297.124216 84.7415 BFGS: 193 16:12:40 295.528064 84.1424 BFGS: 194 16:12:40 293.928488 83.5435 BFGS: 195 16:12:40 292.324801 82.9442 BFGS: 196 16:12:40 290.716317 82.3444 BFGS: 197 16:12:40 289.102440 81.7441 BFGS: 198 16:12:40 287.482339 81.1430 BFGS: 199 16:12:40 285.855121 80.5407 BFGS: 200 16:12:40 284.219822 79.9370 BFGS: 201 16:12:40 282.575445 79.3316 BFGS: 202 16:12:40 280.920904 78.7240 BFGS: 203 16:12:40 279.255001 78.1138 BFGS: 204 16:12:40 277.576436 77.5007 BFGS: 205 16:12:40 275.883794 76.8841 BFGS: 206 16:12:40 274.175528 76.2635 BFGS: 207 16:12:40 272.449949 75.6383 BFGS: 208 16:12:40 270.705204 75.0079 BFGS: 209 16:12:40 268.939258 74.3715 BFGS: 210 16:12:40 267.149867 73.7285 BFGS: 211 16:12:40 265.334564 73.0779 BFGS: 212 16:12:40 263.490616 72.4189 BFGS: 213 16:12:40 261.614983 71.7504 BFGS: 214 16:12:40 259.704309 71.0713 BFGS: 215 16:12:41 257.754911 70.3803 BFGS: 216 16:12:41 255.762689 69.6761 BFGS: 217 16:12:41 253.723072 68.9573 BFGS: 218 16:12:41 251.631054 68.2222 BFGS: 219 16:12:41 249.481101 67.4685 BFGS: 220 16:12:41 247.267058 66.6940 BFGS: 221 16:12:41 244.982172 65.8965 BFGS: 222 16:12:41 242.619340 65.0733 BFGS: 223 16:12:41 240.170905 64.2214 BFGS: 224 16:12:41 237.628645 63.3383 BFGS: 225 16:12:41 234.984566 62.4204 BFGS: 226 16:12:41 232.230224 61.4642 BFGS: 227 16:12:41 229.357391 60.4661 BFGS: 228 16:12:41 226.358647 59.4225 BFGS: 229 16:12:41 223.227880 58.3294 BFGS: 230 16:12:41 219.961190 57.1844 BFGS: 231 16:12:41 216.557533 55.9848 BFGS: 232 16:12:41 213.019360 54.7286 BFGS: 233 16:12:41 209.434135 53.4441 BFGS: 234 16:12:41 205.989614 52.1972 BFGS: 235 16:12:41 202.690327 50.9897 BFGS: 236 16:12:41 199.536772 49.8223 BFGS: 237 16:12:41 196.526113 48.6950 BFGS: 238 16:12:41 193.653055 47.6073 BFGS: 239 16:12:41 190.910529 46.5581 BFGS: 240 16:12:41 188.290532 45.5466 BFGS: 241 16:12:41 185.784855 44.5717 BFGS: 242 16:12:41 183.385803 43.6322 BFGS: 243 16:12:41 181.085459 42.7267 BFGS: 244 16:12:41 178.880631 41.8557 BFGS: 245 16:12:41 176.772093 41.0269 BFGS: 246 16:12:41 174.749527 40.2296 BFGS: 247 16:12:41 172.804012 39.4615 BFGS: 248 16:12:41 170.928184 38.7215 BFGS: 249 16:12:41 169.115842 38.0071 BFGS: 250 16:12:41 167.361233 37.3162 BFGS: 251 16:12:41 165.659288 36.6473 BFGS: 252 16:12:41 164.005999 35.9992 BFGS: 253 16:12:41 162.397523 35.3710 BFGS: 254 16:12:41 160.830084 34.7616 BFGS: 255 16:12:41 159.300781 34.1694 BFGS: 256 16:12:41 157.806918 33.5938 BFGS: 257 16:12:41 156.346063 33.0336 BFGS: 258 16:12:41 154.916049 32.4881 BFGS: 259 16:12:41 153.514941 31.9560 BFGS: 260 16:12:41 152.141098 31.4366 BFGS: 261 16:12:41 150.794100 30.9353 BFGS: 262 16:12:41 149.475451 30.4493 BFGS: 263 16:12:41 148.183685 29.9767 BFGS: 264 16:12:41 146.917510 29.5168 BFGS: 265 16:12:41 145.675736 29.0691 BFGS: 266 16:12:41 144.457258 28.6329 BFGS: 267 16:12:41 143.261053 28.2077 BFGS: 268 16:12:41 142.086118 27.7923 BFGS: 269 16:12:41 140.931691 27.3869 BFGS: 270 16:12:41 139.796997 26.9913 BFGS: 271 16:12:41 138.681219 26.6050 BFGS: 272 16:12:41 137.583585 26.2274 BFGS: 273 16:12:41 136.503263 25.8574 BFGS: 274 16:12:41 135.439523 25.4956 BFGS: 275 16:12:41 134.391738 25.1416 BFGS: 276 16:12:41 133.359389 24.7951 BFGS: 277 16:12:41 132.341985 24.4558 BFGS: 278 16:12:41 131.339017 24.1234 BFGS: 279 16:12:41 130.350007 23.7976 BFGS: 280 16:12:41 129.374475 23.4781 BFGS: 281 16:12:41 128.411929 23.1646 BFGS: 282 16:12:41 127.461967 22.8570 BFGS: 283 16:12:41 126.524212 22.5549 BFGS: 284 16:12:41 125.598306 22.2582 BFGS: 285 16:12:41 124.683909 21.9665 BFGS: 286 16:12:41 123.780692 21.6797 BFGS: 287 16:12:41 122.888263 21.3977 BFGS: 288 16:12:41 122.006282 21.1202 BFGS: 289 16:12:41 121.134472 20.8473 BFGS: 290 16:12:41 120.272573 20.5785 BFGS: 291 16:12:41 119.420334 20.3134 BFGS: 292 16:12:41 118.577469 20.0524 BFGS: 293 16:12:41 117.743665 19.7951 BFGS: 294 16:12:41 116.918685 19.5415 BFGS: 295 16:12:41 116.102327 19.2915 BFGS: 296 16:12:41 115.294397 19.0449 BFGS: 297 16:12:41 114.494709 18.8015 BFGS: 298 16:12:41 113.703088 18.5613 BFGS: 299 16:12:41 112.919355 18.3246 BFGS: 300 16:12:41 112.143332 18.0911 BFGS: 301 16:12:41 111.374873 17.8604 BFGS: 302 16:12:41 110.613828 17.6325 BFGS: 303 16:12:41 109.860056 17.4073 BFGS: 304 16:12:41 109.113413 17.1847 BFGS: 305 16:12:41 108.373766 16.9646 BFGS: 306 16:12:41 107.640989 16.7469 BFGS: 307 16:12:41 106.914979 16.5316 BFGS: 308 16:12:41 106.195668 16.3186 BFGS: 309 16:12:41 105.482942 16.1079 BFGS: 310 16:12:41 104.776684 15.8994 BFGS: 311 16:12:41 104.076827 15.6930 BFGS: 312 16:12:41 103.383281 15.4887 BFGS: 313 16:12:41 102.695949 15.2864 BFGS: 314 16:12:41 102.014738 15.0861 BFGS: 315 16:12:41 101.339547 14.8875 BFGS: 316 16:12:41 100.670292 14.6902 BFGS: 317 16:12:41 100.006835 14.4943 BFGS: 318 16:12:41 99.349030 14.3002 BFGS: 319 16:12:41 98.696801 14.1079 BFGS: 320 16:12:41 98.050076 13.9174 BFGS: 321 16:12:42 97.408784 13.7286 BFGS: 322 16:12:42 96.772861 13.5416 BFGS: 323 16:12:42 96.142243 13.3561 BFGS: 324 16:12:42 95.516868 13.1723 BFGS: 325 16:12:42 94.896678 12.9900 BFGS: 326 16:12:42 94.281618 12.8093 BFGS: 327 16:12:42 93.671634 12.6302 BFGS: 328 16:12:42 93.066675 12.4525 BFGS: 329 16:12:42 92.466681 12.2762 BFGS: 330 16:12:42 91.871588 12.1014 BFGS: 331 16:12:42 91.281358 11.9281 BFGS: 332 16:12:42 90.695948 11.7561 BFGS: 333 16:12:42 90.115319 11.5855 BFGS: 334 16:12:42 89.539431 11.4163 BFGS: 335 16:12:42 88.968248 11.2485 BFGS: 336 16:12:42 88.401734 11.0820 BFGS: 337 16:12:42 87.839857 10.9169 BFGS: 338 16:12:42 87.282571 10.7530 BFGS: 339 16:12:42 86.729862 10.5906 BFGS: 340 16:12:42 86.181705 10.4294 BFGS: 341 16:12:42 85.638070 10.2696 BFGS: 342 16:12:42 85.098896 10.1111 BFGS: 343 16:12:42 84.564178 9.9540 BFGS: 344 16:12:42 84.033886 9.7982 BFGS: 345 16:12:42 83.507981 9.6436 BFGS: 346 16:12:42 82.986460 9.4904 BFGS: 347 16:12:42 82.469293 9.3383 BFGS: 348 16:12:42 81.956445 9.1875 BFGS: 349 16:12:42 81.447892 9.0381 BFGS: 350 16:12:42 80.943608 8.8903 BFGS: 351 16:12:42 80.443466 8.7443 BFGS: 352 16:12:42 79.947389 8.5998 BFGS: 353 16:12:42 79.455353 8.4567 BFGS: 354 16:12:42 78.967336 8.3151 BFGS: 355 16:12:42 78.483312 8.1749 BFGS: 356 16:12:42 78.003261 8.0362 BFGS: 357 16:12:42 77.527160 7.8989 BFGS: 358 16:12:42 77.054986 7.7632 BFGS: 359 16:12:42 76.586717 7.6289 BFGS: 360 16:12:42 76.122332 7.4961 BFGS: 361 16:12:42 75.661807 7.3648 BFGS: 362 16:12:42 75.205062 7.2350 BFGS: 363 16:12:42 74.752034 7.1078 BFGS: 364 16:12:42 74.302614 6.9824 BFGS: 365 16:12:42 73.856770 6.8586 BFGS: 366 16:12:42 73.414473 6.7363 BFGS: 367 16:12:42 72.975661 6.6164 BFGS: 368 16:12:42 72.540303 6.4980 BFGS: 369 16:12:42 72.108318 6.3814 BFGS: 370 16:12:42 71.679581 6.2666 BFGS: 371 16:12:42 71.254042 6.1534 BFGS: 372 16:12:42 70.831673 6.0417 BFGS: 373 16:12:42 70.412449 5.9316 BFGS: 374 16:12:42 69.996338 5.8232 BFGS: 375 16:12:42 69.583293 5.7163 BFGS: 376 16:12:42 69.173271 5.6111 BFGS: 377 16:12:42 68.766245 5.5074 BFGS: 378 16:12:42 68.362184 5.4053 BFGS: 379 16:12:42 67.961060 5.3049 BFGS: 380 16:12:42 67.562840 5.2060 BFGS: 381 16:12:42 67.167494 5.1087 BFGS: 382 16:12:42 66.774988 5.0131 BFGS: 383 16:12:42 66.385288 4.9190 BFGS: 384 16:12:42 65.998349 4.8271 BFGS: 385 16:12:42 65.614079 4.7373 BFGS: 386 16:12:42 65.232423 4.6491 BFGS: 387 16:12:42 64.853324 4.5629 BFGS: 388 16:12:42 64.476707 4.4782 BFGS: 389 16:12:42 64.102532 4.3952 BFGS: 390 16:12:42 63.730762 4.3136 BFGS: 391 16:12:42 63.361355 4.2336 BFGS: 392 16:12:42 62.994274 4.1551 BFGS: 393 16:12:42 62.629474 4.0782 BFGS: 394 16:12:42 62.266893 4.0027 BFGS: 395 16:12:42 61.906477 3.9287 BFGS: 396 16:12:42 61.548183 3.8561 BFGS: 397 16:12:42 61.191967 3.7850 BFGS: 398 16:12:42 60.837786 3.7154 BFGS: 399 16:12:42 60.485596 3.6471 BFGS: 400 16:12:42 60.135358 3.5801 BFGS: 401 16:12:42 59.787030 3.5144 BFGS: 402 16:12:42 59.440557 3.4508 BFGS: 403 16:12:42 59.095810 3.3890 BFGS: 404 16:12:42 58.752719 3.3286 BFGS: 405 16:12:42 58.411250 3.2694 BFGS: 406 16:12:42 58.071370 3.2114 BFGS: 407 16:12:42 57.733046 3.1547 BFGS: 408 16:12:42 57.396247 3.0991 BFGS: 409 16:12:42 57.060946 3.0446 BFGS: 410 16:12:42 56.727115 2.9913 BFGS: 411 16:12:42 56.394731 2.9390 BFGS: 412 16:12:42 56.063770 2.8878 BFGS: 413 16:12:42 55.734213 2.8376 BFGS: 414 16:12:42 55.406042 2.7884 BFGS: 415 16:12:42 55.079241 2.7402 BFGS: 416 16:12:42 54.753797 2.6929 BFGS: 417 16:12:42 54.429699 2.6464 BFGS: 418 16:12:42 54.106938 2.6009 BFGS: 419 16:12:42 53.785484 2.5562 BFGS: 420 16:12:42 53.465322 2.5123 BFGS: 421 16:12:42 53.146448 2.4691 BFGS: 422 16:12:42 52.828836 2.4463 BFGS: 423 16:12:43 52.512497 2.4305 BFGS: 424 16:12:43 52.197439 2.4146 BFGS: 425 16:12:43 51.883661 2.3988 BFGS: 426 16:12:43 51.571028 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22.531621 1.1542 BFGS: 566 16:12:44 22.428327 1.1496 BFGS: 567 16:12:44 22.326273 1.1451 BFGS: 568 16:12:44 22.225446 1.1406 BFGS: 569 16:12:44 22.125833 1.1361 BFGS: 570 16:12:44 22.027420 1.1316 BFGS: 571 16:12:44 21.930193 1.1271 BFGS: 572 16:12:44 21.834137 1.1227 BFGS: 573 16:12:44 21.739236 1.1183 BFGS: 574 16:12:44 21.645470 1.1139 BFGS: 575 16:12:44 21.552822 1.1095 BFGS: 576 16:12:44 21.461275 1.1051 BFGS: 577 16:12:44 21.370813 1.1008 BFGS: 578 16:12:44 21.281412 1.0967 BFGS: 579 16:12:44 21.193054 1.0926 BFGS: 580 16:12:44 21.105721 1.0885 BFGS: 581 16:12:44 21.019395 1.0844 BFGS: 582 16:12:44 20.934059 1.0803 BFGS: 583 16:12:44 20.849695 1.0763 BFGS: 584 16:12:44 20.766285 1.0722 BFGS: 585 16:12:44 20.683811 1.0681 BFGS: 586 16:12:44 20.602258 1.0641 BFGS: 587 16:12:44 20.521607 1.0600 BFGS: 588 16:12:44 20.441842 1.0559 BFGS: 589 16:12:44 20.362946 1.0518 BFGS: 590 16:12:44 20.284905 1.0477 BFGS: 591 16:12:44 20.207703 1.0436 BFGS: 592 16:12:44 20.131326 1.0395 BFGS: 593 16:12:44 20.055759 1.0354 BFGS: 594 16:12:44 19.980991 1.0312 BFGS: 595 16:12:44 19.907008 1.0388 BFGS: 596 16:12:44 19.833801 1.0604 BFGS: 597 16:12:44 19.761358 1.0816 BFGS: 598 16:12:44 19.689648 1.1025 BFGS: 599 16:12:44 19.618637 1.1230 BFGS: 600 16:12:44 19.548316 1.1430 BFGS: 601 16:12:44 19.478680 1.1626 BFGS: 602 16:12:44 19.409724 1.1818 BFGS: 603 16:12:44 19.341431 1.2005 BFGS: 604 16:12:44 19.273792 1.2186 BFGS: 605 16:12:44 19.206808 1.2363 BFGS: 606 16:12:44 19.140476 1.2535 BFGS: 607 16:12:44 19.074798 1.2702 BFGS: 608 16:12:44 19.009775 1.2863 BFGS: 609 16:12:44 18.945409 1.3019 BFGS: 610 16:12:44 18.881704 1.3170 BFGS: 611 16:12:44 18.818663 1.3315 BFGS: 612 16:12:44 18.756292 1.3455 BFGS: 613 16:12:44 18.694595 1.3590 BFGS: 614 16:12:44 18.633578 1.3719 BFGS: 615 16:12:44 18.573246 1.3843 BFGS: 616 16:12:44 18.513606 1.3961 BFGS: 617 16:12:44 18.454663 1.4075 BFGS: 618 16:12:44 18.396423 1.4183 BFGS: 619 16:12:44 18.338893 1.4286 BFGS: 620 16:12:44 18.282042 1.4399 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1.583008 0.3520 BFGS: 1181 16:12:47 1.582321 0.3542 BFGS: 1182 16:12:47 1.581525 0.3562 BFGS: 1183 16:12:47 1.580597 0.3581 BFGS: 1184 16:12:47 1.579518 0.3599 BFGS: 1185 16:12:47 1.578274 0.3616 BFGS: 1186 16:12:47 1.576854 0.3631 BFGS: 1187 16:12:47 1.575249 0.3645 BFGS: 1188 16:12:47 1.573456 0.3657 BFGS: 1189 16:12:47 1.571472 0.3667 BFGS: 1190 16:12:47 1.569296 0.3676 BFGS: 1191 16:12:47 1.566928 0.3683 BFGS: 1192 16:12:47 1.564372 0.3689 BFGS: 1193 16:12:47 1.561629 0.3693 BFGS: 1194 16:12:47 1.558703 0.3695 BFGS: 1195 16:12:47 1.555598 0.3696 BFGS: 1196 16:12:47 1.552318 0.3695 BFGS: 1197 16:12:47 1.548868 0.3693 BFGS: 1198 16:12:47 1.545252 0.3689 BFGS: 1199 16:12:47 1.541474 0.3684 BFGS: 1200 16:12:47 1.537539 0.3679 BFGS: 1201 16:12:47 1.533463 0.3676 BFGS: 1202 16:12:47 1.529297 0.3672 BFGS: 1203 16:12:47 1.525046 0.3668 BFGS: 1204 16:12:47 1.520710 0.3662 BFGS: 1205 16:12:47 1.516291 0.3655 BFGS: 1206 16:12:47 1.511789 0.3647 BFGS: 1207 16:12:47 1.507207 0.3639 BFGS: 1208 16:12:47 1.502547 0.3629 BFGS: 1209 16:12:47 1.497812 0.3619 BFGS: 1210 16:12:47 1.493003 0.3607 BFGS: 1211 16:12:47 1.488123 0.3595 BFGS: 1212 16:12:47 1.483176 0.3582 BFGS: 1213 16:12:47 1.478163 0.3568 BFGS: 1214 16:12:47 1.473087 0.3553 BFGS: 1215 16:12:47 1.467950 0.3538 BFGS: 1216 16:12:47 1.462754 0.3521 BFGS: 1217 16:12:47 1.457503 0.3504 BFGS: 1218 16:12:48 1.452198 0.3486 BFGS: 1219 16:12:48 1.446841 0.3467 BFGS: 1220 16:12:48 1.441434 0.3447 BFGS: 1221 16:12:48 1.435980 0.3427 BFGS: 1222 16:12:48 1.430480 0.3406 BFGS: 1223 16:12:48 1.424937 0.3384 BFGS: 1224 16:12:48 1.419351 0.3361 BFGS: 1225 16:12:48 1.413726 0.3338 BFGS: 1226 16:12:48 1.408062 0.3313 BFGS: 1227 16:12:48 1.402362 0.3288 BFGS: 1228 16:12:48 1.396626 0.3262 BFGS: 1229 16:12:48 1.390858 0.3236 BFGS: 1230 16:12:48 1.385057 0.3208 BFGS: 1231 16:12:48 1.379227 0.3180 BFGS: 1232 16:12:48 1.373368 0.3151 BFGS: 1233 16:12:48 1.367481 0.3122 BFGS: 1234 16:12:48 1.361569 0.3091 BFGS: 1235 16:12:48 1.355632 0.3060 BFGS: 1236 16:12:48 1.349672 0.3028 BFGS: 1237 16:12:48 1.343691 0.2995 BFGS: 1238 16:12:48 1.337689 0.2962 BFGS: 1239 16:12:48 1.331667 0.2927 BFGS: 1240 16:12:48 1.325628 0.2892 BFGS: 1241 16:12:48 1.319571 0.2856 BFGS: 1242 16:12:48 1.313494 0.2815 BFGS: 1243 16:12:48 1.307471 0.2775 BFGS: 1244 16:12:48 1.301503 0.2735 BFGS: 1245 16:12:48 1.295591 0.2695 BFGS: 1246 16:12:48 1.289735 0.2655 BFGS: 1247 16:12:48 1.283935 0.2654 BFGS: 1248 16:12:48 1.278190 0.2656 BFGS: 1249 16:12:48 1.272501 0.2658 BFGS: 1250 16:12:48 1.266865 0.2660 BFGS: 1251 16:12:48 1.261282 0.2662 BFGS: 1252 16:12:48 1.255750 0.2664 BFGS: 1253 16:12:48 1.250270 0.2665 BFGS: 1254 16:12:48 1.244840 0.2667 BFGS: 1255 16:12:48 1.239460 0.2669 BFGS: 1256 16:12:48 1.234128 0.2671 BFGS: 1257 16:12:48 1.228845 0.2673 BFGS: 1258 16:12:48 1.223609 0.2674 BFGS: 1259 16:12:48 1.218420 0.2676 BFGS: 1260 16:12:48 1.213277 0.2678 BFGS: 1261 16:12:48 1.208180 0.2679 BFGS: 1262 16:12:48 1.203129 0.2681 BFGS: 1263 16:12:48 1.198123 0.2682 BFGS: 1264 16:12:48 1.193161 0.2684 BFGS: 1265 16:12:48 1.188244 0.2685 BFGS: 1266 16:12:48 1.183371 0.2687 BFGS: 1267 16:12:48 1.178542 0.2688 BFGS: 1268 16:12:48 1.173757 0.2689 BFGS: 1269 16:12:48 1.169015 0.2690 BFGS: 1270 16:12:48 1.164316 0.2691 BFGS: 1271 16:12:48 1.159661 0.2692 BFGS: 1272 16:12:48 1.155049 0.2693 BFGS: 1273 16:12:48 1.150479 0.2694 BFGS: 1274 16:12:48 1.145953 0.2695 BFGS: 1275 16:12:48 1.141469 0.2696 BFGS: 1276 16:12:48 1.137028 0.2696 BFGS: 1277 16:12:48 1.132630 0.2697 BFGS: 1278 16:12:48 1.128274 0.2696 BFGS: 1279 16:12:48 1.123979 0.2693 BFGS: 1280 16:12:48 1.119751 0.2691 BFGS: 1281 16:12:48 1.115589 0.2689 BFGS: 1282 16:12:48 1.111491 0.2687 BFGS: 1283 16:12:48 1.107458 0.2685 BFGS: 1284 16:12:48 1.103487 0.2682 BFGS: 1285 16:12:48 1.099580 0.2680 BFGS: 1286 16:12:48 1.095734 0.2678 BFGS: 1287 16:12:48 1.091950 0.2676 BFGS: 1288 16:12:48 1.088226 0.2674 BFGS: 1289 16:12:48 1.084564 0.2671 BFGS: 1290 16:12:48 1.080961 0.2669 BFGS: 1291 16:12:48 1.077417 0.2667 BFGS: 1292 16:12:48 1.073933 0.2665 BFGS: 1293 16:12:48 1.070508 0.2662 BFGS: 1294 16:12:48 1.067141 0.2660 BFGS: 1295 16:12:48 1.063832 0.2658 BFGS: 1296 16:12:48 1.060580 0.2655 BFGS: 1297 16:12:48 1.057386 0.2653 BFGS: 1298 16:12:48 1.054249 0.2650 BFGS: 1299 16:12:48 1.051168 0.2648 BFGS: 1300 16:12:48 1.048143 0.2645 BFGS: 1301 16:12:48 1.045174 0.2643 BFGS: 1302 16:12:48 1.042261 0.2640 BFGS: 1303 16:12:48 1.039402 0.2637 BFGS: 1304 16:12:48 1.036598 0.2635 BFGS: 1305 16:12:48 1.033848 0.2632 BFGS: 1306 16:12:48 1.031151 0.2629 BFGS: 1307 16:12:48 1.028507 0.2625 BFGS: 1308 16:12:48 1.025914 0.2622 BFGS: 1309 16:12:48 1.023374 0.2619 BFGS: 1310 16:12:48 1.020883 0.2615 BFGS: 1311 16:12:48 1.018442 0.2611 BFGS: 1312 16:12:48 1.016049 0.2608 BFGS: 1313 16:12:48 1.013703 0.2603 BFGS: 1314 16:12:48 1.011402 0.2599 BFGS: 1315 16:12:48 1.009143 0.2594 BFGS: 1316 16:12:48 1.006925 0.2589 BFGS: 1317 16:12:48 1.004744 0.2584 BFGS: 1318 16:12:48 1.002596 0.2578 BFGS: 1319 16:12:48 1.000476 0.2571 BFGS: 1320 16:12:48 0.998379 0.2564 BFGS: 1321 16:12:48 0.996297 0.2556 BFGS: 1322 16:12:48 0.994219 0.2548 BFGS: 1323 16:12:48 0.992135 0.2538 BFGS: 1324 16:12:48 0.990028 0.2527 BFGS: 1325 16:12:48 0.987881 0.2515 BFGS: 1326 16:12:48 0.985674 0.2501 BFGS: 1327 16:12:48 0.983391 0.2485 BFGS: 1328 16:12:48 0.981074 0.2453 BFGS: 1329 16:12:48 0.978799 0.2414 BFGS: 1330 16:12:48 0.976611 0.2372 BFGS: 1331 16:12:48 0.974480 0.2329 BFGS: 1332 16:12:48 0.972445 0.2290 BFGS: 1333 16:12:48 0.970531 0.2251 BFGS: 1334 16:12:48 0.968741 0.2211 BFGS: 1335 16:12:48 0.967074 0.2172 BFGS: 1336 16:12:48 0.965526 0.2133 BFGS: 1337 16:12:48 0.964092 0.2095 BFGS: 1338 16:12:48 0.962760 0.2057 BFGS: 1339 16:12:48 0.961515 0.2021 BFGS: 1340 16:12:48 0.960336 0.1987 BFGS: 1341 16:12:48 0.959199 0.1955 BFGS: 1342 16:12:48 0.958081 0.1926 BFGS: 1343 16:12:48 0.956961 0.1899 BFGS: 1344 16:12:48 0.955825 0.1876 BFGS: 1345 16:12:48 0.954663 0.1855 BFGS: 1346 16:12:48 0.953472 0.1837 BFGS: 1347 16:12:48 0.952250 0.1821 BFGS: 1348 16:12:48 0.950999 0.1807 BFGS: 1349 16:12:48 0.949719 0.1795 BFGS: 1350 16:12:48 0.948415 0.1784 BFGS: 1351 16:12:48 0.947087 0.1774 BFGS: 1352 16:12:48 0.945739 0.1765 BFGS: 1353 16:12:48 0.944372 0.1757 BFGS: 1354 16:12:48 0.942988 0.1750 BFGS: 1355 16:12:48 0.941589 0.1744 BFGS: 1356 16:12:48 0.940177 0.1738 BFGS: 1357 16:12:48 0.938753 0.1732 BFGS: 1358 16:12:48 0.937344 0.1727 BFGS: 1359 16:12:48 0.935962 0.1722 BFGS: 1360 16:12:48 0.934568 0.1718 BFGS: 1361 16:12:48 0.933150 0.1712 BFGS: 1362 16:12:48 0.931695 0.1707 BFGS: 1363 16:12:48 0.930184 0.1701 BFGS: 1364 16:12:48 0.928603 0.1694 BFGS: 1365 16:12:48 0.926953 0.1686 BFGS: 1366 16:12:48 0.925208 0.1678 BFGS: 1367 16:12:48 0.923339 0.1669 BFGS: 1368 16:12:48 0.921313 0.1660 BFGS: 1369 16:12:48 0.919088 0.1649 BFGS: 1370 16:12:48 0.916616 0.1636 BFGS: 1371 16:12:48 0.913840 0.1622 BFGS: 1372 16:12:48 0.910688 0.1607 BFGS: 1373 16:12:48 0.907071 0.1589 BFGS: 1374 16:12:48 0.902875 0.1568 BFGS: 1375 16:12:48 0.897954 0.1544 BFGS: 1376 16:12:48 0.892111 0.1516 BFGS: 1377 16:12:48 0.885087 0.1482 BFGS: 1378 16:12:48 0.876547 0.1441 BFGS: 1379 16:12:48 0.869115 0.1406 BFGS: 1380 16:12:48 0.862742 0.1377 BFGS: 1381 16:12:48 0.857047 0.1352 BFGS: 1382 16:12:48 0.851801 0.1331 BFGS: 1383 16:12:48 0.846868 0.1312 BFGS: 1384 16:12:48 0.842159 0.1294 BFGS: 1385 16:12:48 0.837618 0.1278 BFGS: 1386 16:12:48 0.833206 0.1263 BFGS: 1387 16:12:48 0.828898 0.1250 BFGS: 1388 16:12:48 0.824673 0.1236 BFGS: 1389 16:12:48 0.820516 0.1224 BFGS: 1390 16:12:48 0.816417 0.1212 BFGS: 1391 16:12:48 0.812368 0.1201 BFGS: 1392 16:12:48 0.808362 0.1190 BFGS: 1393 16:12:48 0.804393 0.1179 BFGS: 1394 16:12:48 0.800457 0.1169 BFGS: 1395 16:12:48 0.796550 0.1159 BFGS: 1396 16:12:48 0.792671 0.1150 BFGS: 1397 16:12:48 0.788816 0.1140 BFGS: 1398 16:12:48 0.784983 0.1131 BFGS: 1399 16:12:48 0.781171 0.1123 BFGS: 1400 16:12:48 0.777378 0.1114 BFGS: 1401 16:12:48 0.773602 0.1106 BFGS: 1402 16:12:48 0.769844 0.1098 BFGS: 1403 16:12:48 0.766101 0.1090 BFGS: 1404 16:12:48 0.762373 0.1082 BFGS: 1405 16:12:48 0.758660 0.1075 BFGS: 1406 16:12:48 0.754960 0.1068 BFGS: 1407 16:12:48 0.751273 0.1060 BFGS: 1408 16:12:48 0.747599 0.1053 BFGS: 1409 16:12:48 0.743937 0.1047 BFGS: 1410 16:12:48 0.740287 0.1040 BFGS: 1411 16:12:48 0.736648 0.1033 BFGS: 1412 16:12:48 0.733020 0.1027 BFGS: 1413 16:12:48 0.729403 0.1021 BFGS: 1414 16:12:48 0.725797 0.1014 BFGS: 1415 16:12:48 0.722201 0.1008 BFGS: 1416 16:12:48 0.718615 0.1003 BFGS: 1417 16:12:48 0.715039 0.0997 BFGS: 1418 16:12:48 0.711473 0.0991 BFGS: 1419 16:12:48 0.707917 0.0985 BFGS: 1420 16:12:48 0.704370 0.0980 BFGS: 1421 16:12:48 0.700833 0.0975 BFGS: 1422 16:12:48 0.697305 0.0969 BFGS: 1423 16:12:48 0.693786 0.0964 BFGS: 1424 16:12:48 0.690277 0.0959 BFGS: 1425 16:12:48 0.686776 0.0954 BFGS: 1426 16:12:48 0.683285 0.0949 BFGS: 1427 16:12:48 0.679802 0.0944 BFGS: 1428 16:12:48 0.676329 0.0939 BFGS: 1429 16:12:48 0.672864 0.0935 BFGS: 1430 16:12:48 0.669408 0.0930 BFGS: 1431 16:12:48 0.665961 0.0926 BFGS: 1432 16:12:48 0.662523 0.0921 BFGS: 1433 16:12:48 0.659094 0.0917 BFGS: 1434 16:12:48 0.655673 0.0913 BFGS: 1435 16:12:48 0.652261 0.0909 BFGS: 1436 16:12:48 0.648858 0.0905 BFGS: 1437 16:12:48 0.645463 0.0901 BFGS: 1438 16:12:48 0.642077 0.0897 BFGS: 1439 16:12:48 0.638700 0.0893 BFGS: 1440 16:12:49 0.635332 0.0889 BFGS: 1441 16:12:49 0.631972 0.0885 BFGS: 1442 16:12:49 0.628621 0.0882 BFGS: 1443 16:12:49 0.625278 0.0878 BFGS: 1444 16:12:49 0.621944 0.0875 BFGS: 1445 16:12:49 0.618619 0.0871 BFGS: 1446 16:12:49 0.615303 0.0868 BFGS: 1447 16:12:49 0.611995 0.0865 BFGS: 1448 16:12:49 0.608696 0.0862 BFGS: 1449 16:12:49 0.605406 0.0858 BFGS: 1450 16:12:49 0.602124 0.0855 BFGS: 1451 16:12:49 0.598851 0.0852 BFGS: 1452 16:12:49 0.595587 0.0849 BFGS: 1453 16:12:49 0.592332 0.0846 BFGS: 1454 16:12:49 0.589085 0.0844 BFGS: 1455 16:12:49 0.585847 0.0841 BFGS: 1456 16:12:49 0.582619 0.0838 BFGS: 1457 16:12:49 0.579398 0.0836 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16:12:50 0.007117 0.0286 BFGS: 1875 16:12:50 0.006871 0.0281 BFGS: 1876 16:12:50 0.006630 0.0276 BFGS: 1877 16:12:50 0.006393 0.0271 BFGS: 1878 16:12:50 0.006160 0.0266 BFGS: 1879 16:12:50 0.005931 0.0261 BFGS: 1880 16:12:50 0.005707 0.0256 BFGS: 1881 16:12:50 0.005487 0.0251 BFGS: 1882 16:12:50 0.005271 0.0247 BFGS: 1883 16:12:50 0.005059 0.0242 BFGS: 1884 16:12:50 0.004852 0.0237 BFGS: 1885 16:12:50 0.004649 0.0232 BFGS: 1886 16:12:50 0.004450 0.0227 BFGS: 1887 16:12:50 0.004255 0.0222 BFGS: 1888 16:12:50 0.004065 0.0217 BFGS: 1889 16:12:50 0.003879 0.0212 BFGS: 1890 16:12:50 0.003697 0.0207 BFGS: 1891 16:12:51 0.003520 0.0202 BFGS: 1892 16:12:51 0.003347 0.0197 BFGS: 1893 16:12:51 0.003178 0.0192 BFGS: 1894 16:12:51 0.003014 0.0187 BFGS: 1895 16:12:51 0.002854 0.0182 BFGS: 1896 16:12:51 0.002698 0.0177 BFGS: 1897 16:12:51 0.002547 0.0172 BFGS: 1898 16:12:51 0.002400 0.0167 BFGS: 1899 16:12:51 0.002257 0.0162 BFGS: 1900 16:12:51 0.002119 0.0157 BFGS: 1901 16:12:51 0.001985 0.0152 BFGS: 1902 16:12:51 0.001856 0.0147 BFGS: 1903 16:12:51 0.001730 0.0142 BFGS: 1904 16:12:51 0.001610 0.0137 BFGS: 1905 16:12:51 0.001493 0.0132 BFGS: 1906 16:12:51 0.001381 0.0127 BFGS: 1907 16:12:51 0.001274 0.0122 BFGS: 1908 16:12:51 0.001170 0.0117 BFGS: 1909 16:12:51 0.001072 0.0112 BFGS: 1910 16:12:51 0.000977 0.0107 BFGS: 1911 16:12:51 0.000887 0.0102 BFGS: 1912 16:12:51 0.000802 0.0097 BFGS: 1913 16:12:51 0.000720 0.0092 BFGS: 1914 16:12:51 0.000644 0.0087 BFGS: 1915 16:12:51 0.000571 0.0082 BFGS: 1916 16:12:51 0.000503 0.0077 BFGS: 1917 16:12:51 0.000440 0.0073 BFGS: 1918 16:12:51 0.000381 0.0068 BFGS: 1919 16:12:51 0.000326 0.0063 BFGS: 1920 16:12:51 0.000276 0.0058 BFGS: 1921 16:12:51 0.000229 0.0053 BFGS: 1922 16:12:51 0.000187 0.0048 BFGS: 1923 16:12:51 0.000150 0.0043 BFGS: 1924 16:12:51 0.000116 0.0038 BFGS: 1925 16:12:51 0.000087 0.0033 BFGS: 1926 16:12:51 0.000062 0.0027 BFGS: 1927 16:12:51 0.000041 0.0022 BFGS: 1928 16:12:51 0.000024 0.0017 BFGS: 1929 16:12:51 0.000012 0.0012 BFGS: 1930 16:12:51 0.000004 0.0007 BFGS: 1931 16:12:51 0.000000 0.0002 BFGS: 1932 16:12:51 0.000000 0.0000 BFGS: 1933 16:12:51 0.000000 0.0000 BFGS: 1934 16:12:51 0.000000 0.0000 Minimization converged after 1934 steps. Maximum force component: 3.8182521041759753e-11 eV/Angstrom Maximum stress component: 6.057835619833952e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[1.97176008e-01 0.00000000e+00 2.24859255e-01] [8.02823992e-01 1.00000000e+00 7.75140745e-01] [6.97176008e-01 5.00000000e-01 2.24859255e-01] [3.02823992e-01 5.00000000e-01 7.75140745e-01] [9.28644491e-01 4.14887310e-18 5.64922755e-01] [7.13555088e-02 1.00000000e+00 4.35077245e-01] [4.28644491e-01 5.00000000e-01 5.64922755e-01] [5.71355509e-01 5.00000000e-01 4.35077245e-01] [8.97367818e-01 6.51488799e-01 3.32009361e-01] [1.02632182e-01 6.51488799e-01 6.67990639e-01] [3.97367818e-01 1.51488799e-01 3.32009361e-01] [6.02632182e-01 1.51488799e-01 6.67990639e-01] [1.02632182e-01 3.48511201e-01 6.67990639e-01] [8.97367818e-01 3.48511201e-01 3.32009361e-01] [6.02632182e-01 8.48511201e-01 6.67990639e-01] [3.97367818e-01 8.48511201e-01 3.32009361e-01]] cellpar = Cell([[57.91776436585434, -6.854815454235322e-15, 16.293772272057513], [2.8354698887528794e-14, 33.00574046167699, -1.5264024473180526e-13], [-12.90435195776835, -6.93536000656946e-14, 9.558486267953697]]) forces = [[ 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] [ 3.28019875e-26 3.81825210e-11 -1.76581082e-25] [ 3.28019875e-26 3.81825210e-11 -1.76581082e-25] [ 3.28019875e-26 3.81825210e-11 -1.76581082e-25] [ 3.28019875e-26 3.81825210e-11 -1.76581082e-25] [-3.28019875e-26 -3.81825210e-11 1.76581082e-25] [-3.28019875e-26 -3.81825210e-11 1.76581082e-25] [-3.28019875e-26 -3.81825210e-11 1.76581082e-25] [-3.28019875e-26 -3.81825210e-11 1.76581082e-25]] stress = [-6.37073210e-42 -6.05783562e-14 -6.71829191e-42 -3.05895754e-28 -4.72284731e-42 8.50915321e-29] 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