element(s): ['C'] AFLOW prototype label: A_cP20_221_gj Parameter names: ['a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.215', '0.26228631', '0.15146094'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.26228631 0.26228631 0.26228631] [0.5 0.15146094 0.15146094]] spacegroup = 221 cell = [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]] ========================================= Step Time Energy fmax BFGS: 0 14:18:56 2349.546568 192.4305 BFGS: 1 14:18:56 2318.845811 189.0618 BFGS: 2 14:18:56 2291.318800 186.1034 BFGS: 3 14:18:56 2262.701965 183.0133 BFGS: 4 14:18:56 2233.499919 179.8615 BFGS: 5 14:18:56 2205.956534 176.9091 BFGS: 6 14:18:56 2179.322556 174.0769 BFGS: 7 14:18:56 2153.187190 171.3064 BFGS: 8 14:18:56 2127.472514 168.5884 BFGS: 9 14:18:57 2102.158262 165.9254 BFGS: 10 14:18:57 2077.234446 163.3151 BFGS: 11 14:18:57 2052.693245 160.7520 BFGS: 12 14:18:57 2028.526496 158.2387 BFGS: 13 14:18:57 2004.727170 155.7713 BFGS: 14 14:18:57 1981.288075 153.3479 BFGS: 15 14:18:57 1958.202114 150.9722 BFGS: 16 14:18:57 1935.462471 148.6426 BFGS: 17 14:18:57 1913.062697 146.3541 BFGS: 18 14:18:57 1890.995945 144.1057 BFGS: 19 14:18:57 1869.255952 141.8964 BFGS: 20 14:18:57 1847.836694 139.7254 BFGS: 21 14:18:57 1826.732269 137.5939 BFGS: 22 14:18:57 1805.935668 135.5064 BFGS: 23 14:18:57 1785.439791 133.4543 BFGS: 24 14:18:57 1765.240172 131.4370 BFGS: 25 14:18:57 1745.331755 129.4538 BFGS: 26 14:18:57 1725.709379 127.5040 BFGS: 27 14:18:57 1706.367929 125.5867 BFGS: 28 14:18:57 1687.302373 123.7013 BFGS: 29 14:18:57 1668.507554 121.8539 BFGS: 30 14:18:57 1649.978104 120.0472 BFGS: 31 14:18:57 1631.710136 118.2705 BFGS: 32 14:18:57 1613.697425 116.5238 BFGS: 33 14:18:57 1595.934827 114.8068 BFGS: 34 14:18:57 1578.417843 113.1187 BFGS: 35 14:18:57 1561.141835 111.4615 BFGS: 36 14:18:57 1544.104067 109.8312 BFGS: 37 14:18:57 1527.298929 108.2270 BFGS: 38 14:18:57 1510.721701 106.6482 BFGS: 39 14:18:57 1494.368091 105.0944 BFGS: 40 14:18:57 1478.234031 103.5649 BFGS: 41 14:18:57 1462.315591 102.0592 BFGS: 42 14:18:57 1446.608941 100.5769 BFGS: 43 14:18:57 1431.110332 99.1173 BFGS: 44 14:18:57 1415.815833 97.6851 BFGS: 45 14:18:57 1400.720487 96.2765 BFGS: 46 14:18:57 1385.820751 94.8891 BFGS: 47 14:18:57 1371.113413 93.5225 BFGS: 48 14:18:57 1356.595123 92.1784 BFGS: 49 14:18:57 1342.262827 90.8562 BFGS: 50 14:18:57 1328.113457 89.5550 BFGS: 51 14:18:57 1314.143004 88.2750 BFGS: 52 14:18:57 1300.348008 87.0136 BFGS: 53 14:18:57 1286.725216 85.7705 BFGS: 54 14:18:57 1273.270470 84.5612 BFGS: 55 14:18:57 1259.980670 83.3754 BFGS: 56 14:18:57 1246.852858 82.2068 BFGS: 57 14:18:57 1233.883281 81.0582 BFGS: 58 14:18:57 1221.070296 79.9274 BFGS: 59 14:18:57 1208.410687 78.8126 BFGS: 60 14:18:57 1195.900691 77.7135 BFGS: 61 14:18:57 1183.536664 76.6352 BFGS: 62 14:18:57 1171.315527 75.5733 BFGS: 63 14:18:57 1159.234382 74.5261 BFGS: 64 14:18:57 1147.290299 73.4931 BFGS: 65 14:18:57 1135.480492 72.4740 BFGS: 66 14:18:57 1123.801951 71.4740 BFGS: 67 14:18:57 1112.251405 70.4879 BFGS: 68 14:18:57 1100.826189 69.5159 BFGS: 69 14:18:57 1089.522995 68.5575 BFGS: 70 14:18:57 1078.338927 67.6114 BFGS: 71 14:18:57 1067.271886 66.6771 BFGS: 72 14:18:57 1056.319667 65.7546 BFGS: 73 14:18:57 1045.479986 64.8434 BFGS: 74 14:18:57 1034.750509 63.9434 BFGS: 75 14:18:57 1024.128858 63.0543 BFGS: 76 14:18:57 1013.612622 62.1757 BFGS: 77 14:18:57 1003.198825 61.3144 BFGS: 78 14:18:57 992.886086 60.4637 BFGS: 79 14:18:57 982.671747 59.6230 BFGS: 80 14:18:57 972.553033 58.7919 BFGS: 81 14:18:57 962.527174 57.9702 BFGS: 82 14:18:57 952.591384 57.1575 BFGS: 83 14:18:57 942.742768 56.3562 BFGS: 84 14:18:57 932.977125 55.5647 BFGS: 85 14:18:57 923.291141 54.7811 BFGS: 86 14:18:57 913.682093 54.0053 BFGS: 87 14:18:57 904.147079 53.2368 BFGS: 88 14:18:57 894.683010 52.4755 BFGS: 89 14:18:57 885.286389 51.7258 BFGS: 90 14:18:57 875.954296 50.9907 BFGS: 91 14:18:57 866.688728 50.2626 BFGS: 92 14:18:57 857.484423 49.5409 BFGS: 93 14:18:57 848.336048 48.8270 BFGS: 94 14:18:57 839.238192 48.1249 BFGS: 95 14:18:57 830.188304 47.4282 BFGS: 96 14:18:57 821.179942 46.7363 BFGS: 97 14:18:57 812.206396 46.0486 BFGS: 98 14:18:57 803.260583 45.3644 BFGS: 99 14:18:58 794.334937 44.6831 BFGS: 100 14:18:58 785.421296 44.0040 BFGS: 101 14:18:58 776.510793 43.3264 BFGS: 102 14:18:58 767.593737 42.6494 BFGS: 103 14:18:58 758.659386 41.9742 BFGS: 104 14:18:58 749.696173 41.2981 BFGS: 105 14:18:58 740.691199 40.6203 BFGS: 106 14:18:58 731.630020 39.9406 BFGS: 107 14:18:58 722.497263 39.2561 BFGS: 108 14:18:58 713.276301 38.5654 BFGS: 109 14:18:58 703.949681 37.8670 BFGS: 110 14:18:58 694.499967 37.1593 BFGS: 111 14:18:58 684.911544 36.4410 BFGS: 112 14:18:58 675.174227 35.7108 BFGS: 113 14:18:58 665.287135 34.9837 BFGS: 114 14:18:58 655.275134 34.2480 BFGS: 115 14:18:58 645.208103 33.5076 BFGS: 116 14:18:58 635.232730 32.7731 BFGS: 117 14:18:58 625.605498 32.0655 BFGS: 118 14:18:58 616.689413 31.4111 BFGS: 119 14:18:58 608.848165 30.8387 BFGS: 120 14:18:58 602.228243 30.3593 BFGS: 121 14:18:58 596.655611 29.9787 BFGS: 122 14:18:58 591.834505 29.6639 BFGS: 123 14:18:58 587.544896 29.4038 BFGS: 124 14:18:58 583.639538 29.1759 BFGS: 125 14:18:58 580.016901 28.9694 BFGS: 126 14:18:58 576.603871 28.7778 BFGS: 127 14:18:58 573.345940 28.5970 BFGS: 128 14:18:58 570.201118 28.4234 BFGS: 129 14:18:58 567.136391 28.2544 BFGS: 130 14:18:58 564.125678 28.0877 BFGS: 131 14:18:58 561.148685 27.9214 BFGS: 132 14:18:58 558.190236 27.7542 BFGS: 133 14:18:58 555.239839 27.5848 BFGS: 134 14:18:58 552.291316 27.4125 BFGS: 135 14:18:58 549.342424 27.2368 BFGS: 136 14:18:58 546.394419 27.0577 BFGS: 137 14:18:58 543.451564 27.2817 BFGS: 138 14:18:58 540.520572 27.3790 BFGS: 139 14:18:58 537.608609 27.3337 BFGS: 140 14:18:58 534.727306 27.1611 BFGS: 141 14:18:58 531.886664 26.8752 BFGS: 142 14:18:58 529.096451 26.4914 BFGS: 143 14:18:58 526.366577 26.0214 BFGS: 144 14:18:58 523.705551 25.6297 BFGS: 145 14:18:58 521.120941 25.4605 BFGS: 146 14:18:58 518.618699 25.2944 BFGS: 147 14:18:58 516.203397 25.1317 BFGS: 148 14:18:58 513.878240 24.9730 BFGS: 149 14:18:58 511.645134 24.8184 BFGS: 150 14:18:58 509.504807 24.6682 BFGS: 151 14:18:58 507.456945 24.5225 BFGS: 152 14:18:58 505.500352 24.3813 BFGS: 153 14:18:58 503.633111 24.2447 BFGS: 154 14:18:58 501.852738 24.1125 BFGS: 155 14:18:58 500.156337 23.9848 BFGS: 156 14:18:58 498.540730 23.8613 BFGS: 157 14:18:58 497.002583 23.7419 BFGS: 158 14:18:58 495.538508 23.6264 BFGS: 159 14:18:58 494.145143 23.5148 BFGS: 160 14:18:58 492.819223 23.4067 BFGS: 161 14:18:58 491.557628 23.7108 BFGS: 162 14:18:58 490.357413 24.6057 BFGS: 163 14:18:58 489.215835 25.4980 BFGS: 164 14:18:58 488.130332 26.3876 BFGS: 165 14:18:58 487.098057 27.2693 BFGS: 166 14:18:58 486.116062 28.1376 BFGS: 167 14:18:58 485.183671 29.0043 BFGS: 168 14:18:58 484.298887 29.8697 BFGS: 169 14:18:58 483.459948 30.7339 BFGS: 170 14:18:58 482.665304 31.5969 BFGS: 171 14:18:58 481.913595 32.4591 BFGS: 172 14:18:58 481.203630 33.3206 BFGS: 173 14:18:58 480.534372 34.1817 BFGS: 174 14:18:58 479.904923 35.0426 BFGS: 175 14:18:58 479.314508 35.9038 BFGS: 176 14:18:58 478.762472 36.7653 BFGS: 177 14:18:58 478.248262 37.6277 BFGS: 178 14:18:58 477.771426 38.4911 BFGS: 179 14:18:58 477.331603 39.3559 BFGS: 180 14:18:58 476.928521 40.2225 BFGS: 181 14:18:58 476.561756 41.0913 BFGS: 182 14:18:58 476.231094 41.9628 BFGS: 183 14:18:58 475.936575 42.8372 BFGS: 184 14:18:58 475.678146 43.7148 BFGS: 185 14:18:58 475.455824 44.5960 BFGS: 186 14:18:58 475.269631 45.4808 BFGS: 187 14:18:58 475.119394 46.3694 BFGS: 188 14:18:58 475.004020 47.2612 BFGS: 189 14:18:58 474.928550 47.9522 BFGS: 190 14:18:58 474.867057 48.4121 BFGS: 191 14:18:58 474.772740 48.7121 BFGS: 192 14:18:58 474.623793 48.5764 BFGS: 193 14:18:58 474.490724 47.7620 BFGS: 194 14:18:58 474.429014 46.8724 BFGS: 195 14:18:58 474.407840 46.4023 BFGS: 196 14:18:58 474.398831 46.1765 BFGS: 197 14:18:58 474.395280 46.0306 BFGS: 198 14:18:58 474.394062 45.9842 BFGS: 199 14:18:58 474.392446 45.9039 BFGS: 200 14:18:58 474.391168 45.8685 BFGS: 201 14:18:58 474.384649 45.7531 BFGS: 202 14:18:58 474.370676 45.6010 BFGS: 203 14:18:58 474.330882 45.3289 BFGS: 204 14:18:58 474.229594 44.8935 BFGS: 205 14:18:58 473.960183 44.1562 BFGS: 206 14:18:58 473.254081 42.9105 BFGS: 207 14:18:58 471.675258 41.1574 BFGS: 208 14:18:58 467.408837 37.9214 BFGS: 209 14:18:59 458.089343 33.0352 BFGS: 210 14:18:59 450.791935 30.5406 BFGS: 211 14:18:59 445.667867 29.2817 BFGS: 212 14:18:59 441.372900 28.4565 BFGS: 213 14:18:59 437.529764 27.8474 BFGS: 214 14:18:59 433.957670 27.3610 BFGS: 215 14:18:59 430.564772 26.9514 BFGS: 216 14:18:59 427.298662 26.5931 BFGS: 217 14:18:59 424.126981 26.2706 BFGS: 218 14:18:59 421.028612 25.9737 BFGS: 219 14:18:59 417.989239 25.6958 BFGS: 220 14:18:59 414.998878 25.4320 BFGS: 221 14:18:59 412.050424 25.1792 BFGS: 222 14:18:59 409.138734 24.9349 BFGS: 223 14:18:59 406.260036 24.6974 BFGS: 224 14:18:59 403.411526 24.4655 BFGS: 225 14:18:59 400.591099 24.2383 BFGS: 226 14:18:59 397.797152 24.0149 BFGS: 227 14:18:59 395.028449 23.7950 BFGS: 228 14:18:59 392.284004 23.5791 BFGS: 229 14:18:59 389.563757 23.3688 BFGS: 230 14:18:59 386.869372 23.1620 BFGS: 231 14:18:59 384.198046 22.9579 BFGS: 232 14:18:59 381.548644 22.7563 BFGS: 233 14:18:59 378.920544 22.5568 BFGS: 234 14:18:59 376.313311 22.3595 BFGS: 235 14:18:59 373.726597 22.1641 BFGS: 236 14:18:59 371.160107 21.9706 BFGS: 237 14:18:59 368.613581 21.7790 BFGS: 238 14:18:59 366.086788 21.5891 BFGS: 239 14:18:59 363.579513 21.4010 BFGS: 240 14:18:59 361.091561 21.2146 BFGS: 241 14:18:59 358.622670 21.0304 BFGS: 242 14:18:59 356.176797 20.8496 BFGS: 243 14:18:59 353.755253 20.6720 BFGS: 244 14:18:59 351.354228 20.4966 BFGS: 245 14:18:59 348.972244 20.3232 BFGS: 246 14:18:59 346.608622 20.1515 BFGS: 247 14:18:59 344.262974 19.9816 BFGS: 248 14:18:59 341.935025 19.8132 BFGS: 249 14:18:59 339.624554 19.6463 BFGS: 250 14:18:59 337.331368 19.4810 BFGS: 251 14:18:59 335.055217 19.3156 BFGS: 252 14:18:59 332.797231 19.1517 BFGS: 253 14:18:59 330.557550 18.9901 BFGS: 254 14:18:59 328.335700 18.8305 BFGS: 255 14:18:59 326.131261 18.6727 BFGS: 256 14:18:59 323.943870 18.5168 BFGS: 257 14:18:59 321.773211 18.3625 BFGS: 258 14:18:59 319.619008 18.2097 BFGS: 259 14:18:59 317.481016 18.0585 BFGS: 260 14:18:59 315.359017 17.9087 BFGS: 261 14:18:59 313.252815 17.7603 BFGS: 262 14:18:59 311.162231 17.6132 BFGS: 263 14:18:59 309.087100 17.4674 BFGS: 264 14:18:59 307.027268 17.3230 BFGS: 265 14:18:59 304.982593 17.1797 BFGS: 266 14:18:59 302.952939 17.0377 BFGS: 267 14:18:59 300.938178 16.8968 BFGS: 268 14:18:59 298.938187 16.7571 BFGS: 269 14:18:59 296.952848 16.6186 BFGS: 270 14:18:59 294.982048 16.4812 BFGS: 271 14:18:59 293.025675 16.3449 BFGS: 272 14:18:59 291.083624 16.2097 BFGS: 273 14:18:59 289.155789 16.0756 BFGS: 274 14:18:59 287.242070 15.9426 BFGS: 275 14:18:59 285.342362 15.8109 BFGS: 276 14:18:59 283.456813 15.6823 BFGS: 277 14:18:59 281.589679 15.5560 BFGS: 278 14:18:59 279.738254 15.4313 BFGS: 279 14:18:59 277.901203 15.3079 BFGS: 280 14:18:59 276.077826 15.1857 BFGS: 281 14:18:59 274.267680 15.0664 BFGS: 282 14:18:59 272.473130 14.9498 BFGS: 283 14:18:59 270.694457 14.8348 BFGS: 284 14:18:59 268.929542 14.7208 BFGS: 285 14:18:59 267.177331 14.6078 BFGS: 286 14:18:59 265.437291 14.4956 BFGS: 287 14:18:59 263.709139 14.3842 BFGS: 288 14:18:59 261.992711 14.2736 BFGS: 289 14:18:59 260.287906 14.1638 BFGS: 290 14:18:59 258.594645 14.0547 BFGS: 291 14:18:59 256.912866 13.9463 BFGS: 292 14:18:59 255.242508 13.8388 BFGS: 293 14:18:59 253.583514 13.7320 BFGS: 294 14:18:59 251.935826 13.6259 BFGS: 295 14:18:59 250.299386 13.5207 BFGS: 296 14:18:59 248.674134 13.4162 BFGS: 297 14:18:59 247.060009 13.3124 BFGS: 298 14:18:59 245.456952 13.2094 BFGS: 299 14:18:59 243.864900 13.1072 BFGS: 300 14:18:59 242.283793 13.0057 BFGS: 301 14:18:59 240.713567 12.9049 BFGS: 302 14:18:59 239.154161 12.8049 BFGS: 303 14:18:59 237.605513 12.7056 BFGS: 304 14:18:59 236.067562 12.6070 BFGS: 305 14:18:59 234.540244 12.5092 BFGS: 306 14:18:59 233.023500 12.4120 BFGS: 307 14:18:59 231.517267 12.3156 BFGS: 308 14:18:59 230.021484 12.2198 BFGS: 309 14:18:59 228.536092 12.1248 BFGS: 310 14:18:59 227.061030 12.0304 BFGS: 311 14:18:59 225.596239 11.9367 BFGS: 312 14:18:59 224.141659 11.8437 BFGS: 313 14:18:59 222.697231 11.7513 BFGS: 314 14:18:59 221.262898 11.6596 BFGS: 315 14:18:59 219.838602 11.5686 BFGS: 316 14:18:59 218.424285 11.4782 BFGS: 317 14:18:59 217.019876 11.3884 BFGS: 318 14:18:59 215.625916 11.2995 BFGS: 319 14:18:59 214.242724 11.2114 BFGS: 320 14:18:59 212.869836 11.1241 BFGS: 321 14:18:59 211.506938 11.0368 BFGS: 322 14:18:59 210.155292 10.9485 BFGS: 323 14:18:59 208.818486 10.8623 BFGS: 324 14:18:59 207.494474 10.7777 BFGS: 325 14:19:00 206.181978 10.6944 BFGS: 326 14:19:00 204.880175 10.6122 BFGS: 327 14:19:00 203.588520 10.5311 BFGS: 328 14:19:00 202.306632 10.4509 BFGS: 329 14:19:00 201.034238 10.3715 BFGS: 330 14:19:00 199.771131 10.2929 BFGS: 331 14:19:00 198.517145 10.2151 BFGS: 332 14:19:00 197.272144 10.1380 BFGS: 333 14:19:00 196.036011 10.0615 BFGS: 334 14:19:00 194.808475 9.9830 BFGS: 335 14:19:00 193.590936 9.9055 BFGS: 336 14:19:00 192.383244 9.8293 BFGS: 337 14:19:00 191.185094 9.7541 BFGS: 338 14:19:00 189.996399 9.6791 BFGS: 339 14:19:00 188.817661 9.6054 BFGS: 340 14:19:00 187.648304 9.5333 BFGS: 341 14:19:00 186.491186 9.4633 BFGS: 342 14:19:00 185.346275 9.3949 BFGS: 343 14:19:00 184.212000 9.3280 BFGS: 344 14:19:00 183.087313 9.2623 BFGS: 345 14:19:00 181.971498 9.1976 BFGS: 346 14:19:00 180.864051 9.1338 BFGS: 347 14:19:00 179.764609 9.0708 BFGS: 348 14:19:00 178.672901 9.0086 BFGS: 349 14:19:00 177.588719 8.9471 BFGS: 350 14:19:00 176.511894 8.8862 BFGS: 351 14:19:00 175.442290 8.8259 BFGS: 352 14:19:00 174.379789 8.7663 BFGS: 353 14:19:00 173.324289 8.7072 BFGS: 354 14:19:00 172.275700 8.6486 BFGS: 355 14:19:00 171.233940 8.5905 BFGS: 356 14:19:00 170.198933 8.5330 BFGS: 357 14:19:00 169.170611 8.4759 BFGS: 358 14:19:00 168.148906 8.4193 BFGS: 359 14:19:00 167.133759 8.3632 BFGS: 360 14:19:00 166.125111 8.3074 BFGS: 361 14:19:00 165.122906 8.2522 BFGS: 362 14:19:00 164.127092 8.1973 BFGS: 363 14:19:00 163.137619 8.1428 BFGS: 364 14:19:00 162.154437 8.0887 BFGS: 365 14:19:00 161.177500 8.0351 BFGS: 366 14:19:00 160.206764 7.9818 BFGS: 367 14:19:00 159.242184 7.9288 BFGS: 368 14:19:00 158.283718 7.8763 BFGS: 369 14:19:00 157.331327 7.8240 BFGS: 370 14:19:00 156.384968 7.7722 BFGS: 371 14:19:00 155.444605 7.7207 BFGS: 372 14:19:00 154.510200 7.6695 BFGS: 373 14:19:00 153.581715 7.6186 BFGS: 374 14:19:00 152.659115 7.5681 BFGS: 375 14:19:00 151.742365 7.5179 BFGS: 376 14:19:00 150.831374 7.4680 BFGS: 377 14:19:00 149.927872 7.4189 BFGS: 378 14:19:00 149.031731 7.3704 BFGS: 379 14:19:00 148.142376 7.3225 BFGS: 380 14:19:00 147.259396 7.2750 BFGS: 381 14:19:00 146.382495 7.2280 BFGS: 382 14:19:00 145.511456 7.1814 BFGS: 383 14:19:00 144.646117 7.1352 BFGS: 384 14:19:00 143.786354 7.0893 BFGS: 385 14:19:00 142.932073 7.0437 BFGS: 386 14:19:00 142.083196 6.9984 BFGS: 387 14:19:00 141.239661 6.9534 BFGS: 388 14:19:00 140.401417 6.9086 BFGS: 389 14:19:00 139.568416 6.8642 BFGS: 390 14:19:00 138.740620 6.8200 BFGS: 391 14:19:00 137.917991 6.7761 BFGS: 392 14:19:00 137.100496 6.7325 BFGS: 393 14:19:00 136.288103 6.6891 BFGS: 394 14:19:00 135.480783 6.6459 BFGS: 395 14:19:00 134.678506 6.6030 BFGS: 396 14:19:00 133.881245 6.5604 BFGS: 397 14:19:00 133.088973 6.5180 BFGS: 398 14:19:00 132.301663 6.4758 BFGS: 399 14:19:00 131.519289 6.4339 BFGS: 400 14:19:00 130.741827 6.3922 BFGS: 401 14:19:00 129.969251 6.3508 BFGS: 402 14:19:00 129.201537 6.3096 BFGS: 403 14:19:00 128.438660 6.2686 BFGS: 404 14:19:00 127.680596 6.2278 BFGS: 405 14:19:00 126.927321 6.1873 BFGS: 406 14:19:00 126.178813 6.1470 BFGS: 407 14:19:00 125.435047 6.1069 BFGS: 408 14:19:00 124.696001 6.0670 BFGS: 409 14:19:00 123.961651 6.0273 BFGS: 410 14:19:00 123.231977 5.9879 BFGS: 411 14:19:00 122.506954 5.9486 BFGS: 412 14:19:00 121.786560 5.9096 BFGS: 413 14:19:00 121.070775 5.8708 BFGS: 414 14:19:00 120.359575 5.8321 BFGS: 415 14:19:00 119.652940 5.7937 BFGS: 416 14:19:00 118.950848 5.7555 BFGS: 417 14:19:00 118.253277 5.7175 BFGS: 418 14:19:00 117.560206 5.6797 BFGS: 419 14:19:00 116.871615 5.6421 BFGS: 420 14:19:00 116.187483 5.6046 BFGS: 421 14:19:00 115.507788 5.5674 BFGS: 422 14:19:00 114.832491 5.5302 BFGS: 423 14:19:00 114.161869 5.4932 BFGS: 424 14:19:00 113.495968 5.4565 BFGS: 425 14:19:00 112.834673 5.4200 BFGS: 426 14:19:00 112.177892 5.3839 BFGS: 427 14:19:00 111.525551 5.3480 BFGS: 428 14:19:00 110.877587 5.3123 BFGS: 429 14:19:00 110.233948 5.2769 BFGS: 430 14:19:00 109.594589 5.2417 BFGS: 431 14:19:00 108.959472 5.2067 BFGS: 432 14:19:00 108.328560 5.1719 BFGS: 433 14:19:00 107.701824 5.1373 BFGS: 434 14:19:00 107.079233 5.1029 BFGS: 435 14:19:00 106.460760 5.0687 BFGS: 436 14:19:00 105.846377 5.0341 BFGS: 437 14:19:00 105.236169 4.9980 BFGS: 438 14:19:00 104.630740 4.9623 BFGS: 439 14:19:00 104.029930 4.9270 BFGS: 440 14:19:00 103.433607 4.8922 BFGS: 441 14:19:01 102.841662 4.8577 BFGS: 442 14:19:01 102.254003 4.8236 BFGS: 443 14:19:01 101.670551 4.7898 BFGS: 444 14:19:01 101.091238 4.7564 BFGS: 445 14:19:01 100.516005 4.7232 BFGS: 446 14:19:01 99.944797 4.6904 BFGS: 447 14:19:01 99.377567 4.6578 BFGS: 448 14:19:01 98.814272 4.6255 BFGS: 449 14:19:01 98.254869 4.5935 BFGS: 450 14:19:01 97.699323 4.5617 BFGS: 451 14:19:01 97.147597 4.5302 BFGS: 452 14:19:01 96.599658 4.4989 BFGS: 453 14:19:01 96.055475 4.4679 BFGS: 454 14:19:01 95.515017 4.4370 BFGS: 455 14:19:01 94.978256 4.4064 BFGS: 456 14:19:01 94.445164 4.3761 BFGS: 457 14:19:01 93.915715 4.3459 BFGS: 458 14:19:01 93.389847 4.3155 BFGS: 459 14:19:01 92.867628 4.2851 BFGS: 460 14:19:01 92.349112 4.2550 BFGS: 461 14:19:01 91.834241 4.2253 BFGS: 462 14:19:01 91.322961 4.1958 BFGS: 463 14:19:01 90.815226 4.1667 BFGS: 464 14:19:01 90.310985 4.1378 BFGS: 465 14:19:01 89.810965 4.1093 BFGS: 466 14:19:01 89.314941 4.0813 BFGS: 467 14:19:01 88.822731 4.0536 BFGS: 468 14:19:01 88.334119 4.0283 BFGS: 469 14:19:01 87.850296 4.0046 BFGS: 470 14:19:01 87.371465 3.9816 BFGS: 471 14:19:01 86.897104 3.9591 BFGS: 472 14:19:01 86.426803 3.9371 BFGS: 473 14:19:01 85.960235 3.9155 BFGS: 474 14:19:01 85.497136 3.8942 BFGS: 475 14:19:01 85.037296 3.8731 BFGS: 476 14:19:01 84.580544 3.8523 BFGS: 477 14:19:01 84.126722 3.8333 BFGS: 478 14:19:01 83.675422 3.8147 BFGS: 479 14:19:01 83.226525 3.7962 BFGS: 480 14:19:01 82.779994 3.7777 BFGS: 481 14:19:01 82.335797 3.7593 BFGS: 482 14:19:01 81.893909 3.7409 BFGS: 483 14:19:01 81.454308 3.7225 BFGS: 484 14:19:01 81.016976 3.7042 BFGS: 485 14:19:01 80.581896 3.6859 BFGS: 486 14:19:01 80.149055 3.6676 BFGS: 487 14:19:01 79.718441 3.6494 BFGS: 488 14:19:01 79.290043 3.6312 BFGS: 489 14:19:01 78.863853 3.6130 BFGS: 490 14:19:01 78.439860 3.5948 BFGS: 491 14:19:01 78.018058 3.5767 BFGS: 492 14:19:01 77.598438 3.5587 BFGS: 493 14:19:01 77.180993 3.5406 BFGS: 494 14:19:01 76.765717 3.5226 BFGS: 495 14:19:01 76.352603 3.5046 BFGS: 496 14:19:01 75.941644 3.4867 BFGS: 497 14:19:01 75.532834 3.4688 BFGS: 498 14:19:01 75.126167 3.4510 BFGS: 499 14:19:01 74.721636 3.4332 BFGS: 500 14:19:01 74.319234 3.4154 BFGS: 501 14:19:01 73.918957 3.3977 BFGS: 502 14:19:01 73.520797 3.3800 BFGS: 503 14:19:01 73.124748 3.3624 BFGS: 504 14:19:01 72.730804 3.3448 BFGS: 505 14:19:01 72.338958 3.3272 BFGS: 506 14:19:01 71.949204 3.3098 BFGS: 507 14:19:01 71.561536 3.2923 BFGS: 508 14:19:01 71.175947 3.2749 BFGS: 509 14:19:01 70.792431 3.2576 BFGS: 510 14:19:01 70.410980 3.2403 BFGS: 511 14:19:01 70.031589 3.2231 BFGS: 512 14:19:01 69.654250 3.2059 BFGS: 513 14:19:01 69.278958 3.1887 BFGS: 514 14:19:01 68.905704 3.1716 BFGS: 515 14:19:01 68.534484 3.1546 BFGS: 516 14:19:01 68.165289 3.1376 BFGS: 517 14:19:01 67.798113 3.1207 BFGS: 518 14:19:01 67.432949 3.1038 BFGS: 519 14:19:01 67.069790 3.0870 BFGS: 520 14:19:01 66.708630 3.0703 BFGS: 521 14:19:01 66.349461 3.0535 BFGS: 522 14:19:01 65.992276 3.0369 BFGS: 523 14:19:01 65.637070 3.0203 BFGS: 524 14:19:01 65.283834 3.0038 BFGS: 525 14:19:01 64.932561 2.9873 BFGS: 526 14:19:01 64.583246 2.9708 BFGS: 527 14:19:01 64.235880 2.9544 BFGS: 528 14:19:01 63.890458 2.9381 BFGS: 529 14:19:01 63.546971 2.9219 BFGS: 530 14:19:01 63.205413 2.9056 BFGS: 531 14:19:01 62.865777 2.8895 BFGS: 532 14:19:01 62.528056 2.8734 BFGS: 533 14:19:01 62.192243 2.8573 BFGS: 534 14:19:01 61.858331 2.8413 BFGS: 535 14:19:01 61.526273 2.8236 BFGS: 536 14:19:01 61.196583 2.8062 BFGS: 537 14:19:01 60.869173 2.7889 BFGS: 538 14:19:01 60.543964 2.7720 BFGS: 539 14:19:01 60.220891 2.7552 BFGS: 540 14:19:01 59.899897 2.7386 BFGS: 541 14:19:01 59.580932 2.7222 BFGS: 542 14:19:01 59.263952 2.7059 BFGS: 543 14:19:01 58.948921 2.6898 BFGS: 544 14:19:01 58.635805 2.6738 BFGS: 545 14:19:01 58.324573 2.6580 BFGS: 546 14:19:01 58.015199 2.6423 BFGS: 547 14:19:01 57.707659 2.6268 BFGS: 548 14:19:01 57.401932 2.6113 BFGS: 549 14:19:01 57.097997 2.5960 BFGS: 550 14:19:01 56.795836 2.5808 BFGS: 551 14:19:01 56.495434 2.5657 BFGS: 552 14:19:01 56.196773 2.5507 BFGS: 553 14:19:01 55.899840 2.5358 BFGS: 554 14:19:01 55.604622 2.5210 BFGS: 555 14:19:01 55.311104 2.5063 BFGS: 556 14:19:01 55.019275 2.4917 BFGS: 557 14:19:01 54.729123 2.4771 BFGS: 558 14:19:02 54.440638 2.4627 BFGS: 559 14:19:02 54.153808 2.4484 BFGS: 560 14:19:02 53.868623 2.4341 BFGS: 561 14:19:02 53.585074 2.4199 BFGS: 562 14:19:02 53.303150 2.4058 BFGS: 563 14:19:02 53.022842 2.3918 BFGS: 564 14:19:02 52.744142 2.3779 BFGS: 565 14:19:02 52.467040 2.3640 BFGS: 566 14:19:02 52.191528 2.3503 BFGS: 567 14:19:02 51.917597 2.3366 BFGS: 568 14:19:02 51.645238 2.3229 BFGS: 569 14:19:02 51.374445 2.3094 BFGS: 570 14:19:02 51.105208 2.2959 BFGS: 571 14:19:02 50.837521 2.2825 BFGS: 572 14:19:02 50.571374 2.2691 BFGS: 573 14:19:02 50.306761 2.2559 BFGS: 574 14:19:02 50.043674 2.2427 BFGS: 575 14:19:02 49.782106 2.2295 BFGS: 576 14:19:02 49.522049 2.2166 BFGS: 577 14:19:02 49.263388 2.2104 BFGS: 578 14:19:02 49.005390 2.2040 BFGS: 579 14:19:02 48.748112 2.1975 BFGS: 580 14:19:02 48.491601 2.1909 BFGS: 581 14:19:02 48.235897 2.1841 BFGS: 582 14:19:02 47.981039 2.1772 BFGS: 583 14:19:02 47.727055 2.1702 BFGS: 584 14:19:02 47.473972 2.1631 BFGS: 585 14:19:02 47.221814 2.1559 BFGS: 586 14:19:02 46.970601 2.1486 BFGS: 587 14:19:02 46.720349 2.1413 BFGS: 588 14:19:02 46.471073 2.1338 BFGS: 589 14:19:02 46.222786 2.1263 BFGS: 590 14:19:02 45.975499 2.1188 BFGS: 591 14:19:02 45.729221 2.1112 BFGS: 592 14:19:02 45.483959 2.1035 BFGS: 593 14:19:02 45.239722 2.0958 BFGS: 594 14:19:02 44.996515 2.0880 BFGS: 595 14:19:02 44.754342 2.0802 BFGS: 596 14:19:02 44.513209 2.0723 BFGS: 597 14:19:02 44.273118 2.0645 BFGS: 598 14:19:02 44.034072 2.0565 BFGS: 599 14:19:02 43.796075 2.0486 BFGS: 600 14:19:02 43.559128 2.0406 BFGS: 601 14:19:02 43.323233 2.0326 BFGS: 602 14:19:02 43.088391 2.0245 BFGS: 603 14:19:02 42.854602 2.0165 BFGS: 604 14:19:02 42.621869 2.0084 BFGS: 605 14:19:02 42.390190 2.0002 BFGS: 606 14:19:02 42.159567 1.9921 BFGS: 607 14:19:02 41.929999 1.9840 BFGS: 608 14:19:02 41.701486 1.9758 BFGS: 609 14:19:02 41.474028 1.9676 BFGS: 610 14:19:02 41.247624 1.9594 BFGS: 611 14:19:02 41.022275 1.9512 BFGS: 612 14:19:02 40.797978 1.9429 BFGS: 613 14:19:02 40.574733 1.9347 BFGS: 614 14:19:02 40.352540 1.9264 BFGS: 615 14:19:02 40.131397 1.9182 BFGS: 616 14:19:02 39.911303 1.9099 BFGS: 617 14:19:02 39.692257 1.9016 BFGS: 618 14:19:02 39.474257 1.8933 BFGS: 619 14:19:02 39.257303 1.8850 BFGS: 620 14:19:02 39.041393 1.8767 BFGS: 621 14:19:02 38.826522 1.8684 BFGS: 622 14:19:02 38.612601 1.8601 BFGS: 623 14:19:02 38.399584 1.8518 BFGS: 624 14:19:02 38.187488 1.8434 BFGS: 625 14:19:02 37.976329 1.8350 BFGS: 626 14:19:02 37.766118 1.8266 BFGS: 627 14:19:02 37.556867 1.8181 BFGS: 628 14:19:02 37.348583 1.8097 BFGS: 629 14:19:02 37.141274 1.8012 BFGS: 630 14:19:02 36.934946 1.7928 BFGS: 631 14:19:02 36.729605 1.7843 BFGS: 632 14:19:02 36.525254 1.7759 BFGS: 633 14:19:02 36.321896 1.7674 BFGS: 634 14:19:02 36.119534 1.7590 BFGS: 635 14:19:02 35.918168 1.7506 BFGS: 636 14:19:02 35.717802 1.7421 BFGS: 637 14:19:02 35.518434 1.7337 BFGS: 638 14:19:02 35.320066 1.7253 BFGS: 639 14:19:02 35.122697 1.7169 BFGS: 640 14:19:02 34.926327 1.7085 BFGS: 641 14:19:02 34.730954 1.7001 BFGS: 642 14:19:02 34.536578 1.6918 BFGS: 643 14:19:02 34.343198 1.6834 BFGS: 644 14:19:02 34.150811 1.6751 BFGS: 645 14:19:02 33.959417 1.6668 BFGS: 646 14:19:02 33.769014 1.6585 BFGS: 647 14:19:02 33.579599 1.6502 BFGS: 648 14:19:02 33.391172 1.6419 BFGS: 649 14:19:02 33.203728 1.6336 BFGS: 650 14:19:02 33.017267 1.6254 BFGS: 651 14:19:02 32.831786 1.6172 BFGS: 652 14:19:02 32.647283 1.6090 BFGS: 653 14:19:02 32.463755 1.6008 BFGS: 654 14:19:02 32.281200 1.5926 BFGS: 655 14:19:02 32.099615 1.5845 BFGS: 656 14:19:02 31.918998 1.5763 BFGS: 657 14:19:02 31.739346 1.5682 BFGS: 658 14:19:02 31.560657 1.5601 BFGS: 659 14:19:02 31.382928 1.5521 BFGS: 660 14:19:02 31.206157 1.5440 BFGS: 661 14:19:02 31.030340 1.5360 BFGS: 662 14:19:02 30.855475 1.5279 BFGS: 663 14:19:02 30.681559 1.5199 BFGS: 664 14:19:02 30.508590 1.5119 BFGS: 665 14:19:02 30.336565 1.5040 BFGS: 666 14:19:02 30.165481 1.4960 BFGS: 667 14:19:02 29.995335 1.4881 BFGS: 668 14:19:02 29.826126 1.4802 BFGS: 669 14:19:02 29.657849 1.4723 BFGS: 670 14:19:02 29.490502 1.4644 BFGS: 671 14:19:02 29.324084 1.4566 BFGS: 672 14:19:02 29.158589 1.4488 BFGS: 673 14:19:02 28.994017 1.4410 BFGS: 674 14:19:02 28.830364 1.4332 BFGS: 675 14:19:02 28.667628 1.4254 BFGS: 676 14:19:03 28.505806 1.4177 BFGS: 677 14:19:03 28.344895 1.4099 BFGS: 678 14:19:03 28.184872 1.4004 BFGS: 679 14:19:03 28.025909 1.3897 BFGS: 680 14:19:03 27.868155 1.3792 BFGS: 681 14:19:03 27.711567 1.3688 BFGS: 682 14:19:03 27.556105 1.3586 BFGS: 683 14:19:03 27.401735 1.3485 BFGS: 684 14:19:03 27.248425 1.3386 BFGS: 685 14:19:03 27.096146 1.3288 BFGS: 686 14:19:03 26.944873 1.3191 BFGS: 687 14:19:03 26.794582 1.3096 BFGS: 688 14:19:03 26.645253 1.3002 BFGS: 689 14:19:03 26.496865 1.2909 BFGS: 690 14:19:03 26.349402 1.2816 BFGS: 691 14:19:03 26.202847 1.2725 BFGS: 692 14:19:03 26.057184 1.2635 BFGS: 693 14:19:03 25.912400 1.2546 BFGS: 694 14:19:03 25.768483 1.2458 BFGS: 695 14:19:03 25.625419 1.2371 BFGS: 696 14:19:03 25.483198 1.2284 BFGS: 697 14:19:03 25.341808 1.2198 BFGS: 698 14:19:03 25.201241 1.2114 BFGS: 699 14:19:03 25.061487 1.2029 BFGS: 700 14:19:03 24.922537 1.1946 BFGS: 701 14:19:03 24.784382 1.1864 BFGS: 702 14:19:03 24.647015 1.1782 BFGS: 703 14:19:03 24.510428 1.1701 BFGS: 704 14:19:03 24.374614 1.1620 BFGS: 705 14:19:03 24.239566 1.1540 BFGS: 706 14:19:03 24.105277 1.1461 BFGS: 707 14:19:03 23.971741 1.1383 BFGS: 708 14:19:03 23.838951 1.1305 BFGS: 709 14:19:03 23.706903 1.1228 BFGS: 710 14:19:03 23.575589 1.1152 BFGS: 711 14:19:03 23.445005 1.1076 BFGS: 712 14:19:03 23.315145 1.1000 BFGS: 713 14:19:03 23.186004 1.0926 BFGS: 714 14:19:03 23.057577 1.0851 BFGS: 715 14:19:03 22.929859 1.0778 BFGS: 716 14:19:03 22.802844 1.0705 BFGS: 717 14:19:03 22.676529 1.0632 BFGS: 718 14:19:03 22.550909 1.0561 BFGS: 719 14:19:03 22.425979 1.0489 BFGS: 720 14:19:03 22.301730 1.0427 BFGS: 721 14:19:03 22.178062 1.0386 BFGS: 722 14:19:03 22.054860 1.0345 BFGS: 723 14:19:03 21.932130 1.0304 BFGS: 724 14:19:03 21.809876 1.0263 BFGS: 725 14:19:03 21.688102 1.0221 BFGS: 726 14:19:03 21.566813 1.0180 BFGS: 727 14:19:03 21.446010 1.0139 BFGS: 728 14:19:03 21.325696 1.0097 BFGS: 729 14:19:03 21.205874 1.0056 BFGS: 730 14:19:03 21.086545 1.0015 BFGS: 731 14:19:03 20.967710 0.9973 BFGS: 732 14:19:03 20.849370 0.9932 BFGS: 733 14:19:03 20.731527 0.9891 BFGS: 734 14:19:03 20.614181 0.9850 BFGS: 735 14:19:03 20.497332 0.9809 BFGS: 736 14:19:03 20.380981 0.9767 BFGS: 737 14:19:03 20.265127 0.9726 BFGS: 738 14:19:03 20.149771 0.9685 BFGS: 739 14:19:03 20.034912 0.9644 BFGS: 740 14:19:03 19.920550 0.9604 BFGS: 741 14:19:03 19.806683 0.9563 BFGS: 742 14:19:03 19.693313 0.9522 BFGS: 743 14:19:03 19.580438 0.9481 BFGS: 744 14:19:03 19.468056 0.9441 BFGS: 745 14:19:03 19.356169 0.9400 BFGS: 746 14:19:03 19.244774 0.9360 BFGS: 747 14:19:03 19.133870 0.9319 BFGS: 748 14:19:03 19.023457 0.9279 BFGS: 749 14:19:03 18.913534 0.9239 BFGS: 750 14:19:03 18.804100 0.9199 BFGS: 751 14:19:03 18.695153 0.9159 BFGS: 752 14:19:03 18.586692 0.9119 BFGS: 753 14:19:03 18.478716 0.9079 BFGS: 754 14:19:03 18.371225 0.9039 BFGS: 755 14:19:03 18.264216 0.9000 BFGS: 756 14:19:03 18.157689 0.8960 BFGS: 757 14:19:03 18.051642 0.8920 BFGS: 758 14:19:03 17.946074 0.8881 BFGS: 759 14:19:03 17.840985 0.8842 BFGS: 760 14:19:03 17.736372 0.8802 BFGS: 761 14:19:03 17.632234 0.8763 BFGS: 762 14:19:03 17.528570 0.8724 BFGS: 763 14:19:03 17.425379 0.8685 BFGS: 764 14:19:03 17.322659 0.8646 BFGS: 765 14:19:03 17.220410 0.8607 BFGS: 766 14:19:03 17.118630 0.8569 BFGS: 767 14:19:03 17.017317 0.8530 BFGS: 768 14:19:03 16.916470 0.8491 BFGS: 769 14:19:03 16.816088 0.8453 BFGS: 770 14:19:03 16.716170 0.8415 BFGS: 771 14:19:03 16.616714 0.8376 BFGS: 772 14:19:03 16.517719 0.8338 BFGS: 773 14:19:03 16.419184 0.8300 BFGS: 774 14:19:03 16.321107 0.8262 BFGS: 775 14:19:03 16.223487 0.8224 BFGS: 776 14:19:03 16.126323 0.8186 BFGS: 777 14:19:03 16.029614 0.8149 BFGS: 778 14:19:03 15.933357 0.8111 BFGS: 779 14:19:03 15.837553 0.8073 BFGS: 780 14:19:03 15.742199 0.8036 BFGS: 781 14:19:03 15.647294 0.7998 BFGS: 782 14:19:03 15.552837 0.7961 BFGS: 783 14:19:03 15.458826 0.7924 BFGS: 784 14:19:03 15.365262 0.7887 BFGS: 785 14:19:03 15.272141 0.7850 BFGS: 786 14:19:03 15.179463 0.7813 BFGS: 787 14:19:03 15.087226 0.7776 BFGS: 788 14:19:03 14.995430 0.7739 BFGS: 789 14:19:03 14.904072 0.7703 BFGS: 790 14:19:03 14.813152 0.7666 BFGS: 791 14:19:03 14.722669 0.7630 BFGS: 792 14:19:03 14.632621 0.7593 BFGS: 793 14:19:03 14.543006 0.7557 BFGS: 794 14:19:03 14.453824 0.7521 BFGS: 795 14:19:04 14.365074 0.7484 BFGS: 796 14:19:04 14.276753 0.7448 BFGS: 797 14:19:04 14.188862 0.7412 BFGS: 798 14:19:04 14.101398 0.7377 BFGS: 799 14:19:04 14.014360 0.7341 BFGS: 800 14:19:04 13.927748 0.7305 BFGS: 801 14:19:04 13.841559 0.7270 BFGS: 802 14:19:04 13.755793 0.7234 BFGS: 803 14:19:04 13.670449 0.7199 BFGS: 804 14:19:04 13.585524 0.7163 BFGS: 805 14:19:04 13.501019 0.7128 BFGS: 806 14:19:04 13.416931 0.7093 BFGS: 807 14:19:04 13.333260 0.7058 BFGS: 808 14:19:04 13.250004 0.7023 BFGS: 809 14:19:04 13.167162 0.6988 BFGS: 810 14:19:04 13.084734 0.6953 BFGS: 811 14:19:04 13.002717 0.6918 BFGS: 812 14:19:04 12.921110 0.6884 BFGS: 813 14:19:04 12.839913 0.6849 BFGS: 814 14:19:04 12.759124 0.6815 BFGS: 815 14:19:04 12.678742 0.6780 BFGS: 816 14:19:04 12.598766 0.6746 BFGS: 817 14:19:04 12.519194 0.6712 BFGS: 818 14:19:04 12.440026 0.6677 BFGS: 819 14:19:04 12.361259 0.6643 BFGS: 820 14:19:04 12.282895 0.6609 BFGS: 821 14:19:04 12.204929 0.6576 BFGS: 822 14:19:04 12.127363 0.6542 BFGS: 823 14:19:04 12.050195 0.6508 BFGS: 824 14:19:04 11.973422 0.6474 BFGS: 825 14:19:04 11.897045 0.6441 BFGS: 826 14:19:04 11.821063 0.6407 BFGS: 827 14:19:04 11.745473 0.6374 BFGS: 828 14:19:04 11.670275 0.6341 BFGS: 829 14:19:04 11.595468 0.6308 BFGS: 830 14:19:04 11.521051 0.6274 BFGS: 831 14:19:04 11.447022 0.6241 BFGS: 832 14:19:04 11.373380 0.6208 BFGS: 833 14:19:04 11.300125 0.6176 BFGS: 834 14:19:04 11.227254 0.6143 BFGS: 835 14:19:04 11.154768 0.6110 BFGS: 836 14:19:04 11.082665 0.6077 BFGS: 837 14:19:04 11.010943 0.6045 BFGS: 838 14:19:04 10.939602 0.6012 BFGS: 839 14:19:04 10.868641 0.5980 BFGS: 840 14:19:04 10.798058 0.5948 BFGS: 841 14:19:04 10.727849 0.5905 BFGS: 842 14:19:04 10.658047 0.5860 BFGS: 843 14:19:04 10.588660 0.5816 BFGS: 844 14:19:04 10.519685 0.5771 BFGS: 845 14:19:04 10.451115 0.5727 BFGS: 846 14:19:04 10.382948 0.5683 BFGS: 847 14:19:04 10.315180 0.5640 BFGS: 848 14:19:04 10.247807 0.5596 BFGS: 849 14:19:04 10.180826 0.5553 BFGS: 850 14:19:04 10.114233 0.5510 BFGS: 851 14:19:04 10.048026 0.5468 BFGS: 852 14:19:04 9.982201 0.5425 BFGS: 853 14:19:04 9.916756 0.5383 BFGS: 854 14:19:04 9.851688 0.5341 BFGS: 855 14:19:04 9.786995 0.5299 BFGS: 856 14:19:04 9.722674 0.5257 BFGS: 857 14:19:04 9.658723 0.5216 BFGS: 858 14:19:04 9.595139 0.5175 BFGS: 859 14:19:04 9.531920 0.5134 BFGS: 860 14:19:04 9.469064 0.5093 BFGS: 861 14:19:04 9.406569 0.5052 BFGS: 862 14:19:04 9.344432 0.5012 BFGS: 863 14:19:04 9.282653 0.4971 BFGS: 864 14:19:04 9.221229 0.4931 BFGS: 865 14:19:04 9.160158 0.4892 BFGS: 866 14:19:04 9.099437 0.4852 BFGS: 867 14:19:04 9.039067 0.4812 BFGS: 868 14:19:04 8.979044 0.4773 BFGS: 869 14:19:04 8.919367 0.4734 BFGS: 870 14:19:04 8.860033 0.4695 BFGS: 871 14:19:04 8.801016 0.4656 BFGS: 872 14:19:04 8.742241 0.4617 BFGS: 873 14:19:04 8.683712 0.4578 BFGS: 874 14:19:04 8.625432 0.4539 BFGS: 875 14:19:04 8.567403 0.4500 BFGS: 876 14:19:04 8.509629 0.4461 BFGS: 877 14:19:04 8.452112 0.4422 BFGS: 878 14:19:04 8.394853 0.4383 BFGS: 879 14:19:04 8.337856 0.4344 BFGS: 880 14:19:04 8.281121 0.4305 BFGS: 881 14:19:04 8.224651 0.4266 BFGS: 882 14:19:04 8.168446 0.4227 BFGS: 883 14:19:04 8.112509 0.4189 BFGS: 884 14:19:04 8.056840 0.4150 BFGS: 885 14:19:04 8.001441 0.4112 BFGS: 886 14:19:04 7.946311 0.4073 BFGS: 887 14:19:04 7.891452 0.4035 BFGS: 888 14:19:04 7.836865 0.3996 BFGS: 889 14:19:04 7.782550 0.3958 BFGS: 890 14:19:04 7.728507 0.3920 BFGS: 891 14:19:04 7.674736 0.3882 BFGS: 892 14:19:04 7.621238 0.3844 BFGS: 893 14:19:04 7.568013 0.3807 BFGS: 894 14:19:04 7.515061 0.3769 BFGS: 895 14:19:04 7.462381 0.3732 BFGS: 896 14:19:04 7.409974 0.3694 BFGS: 897 14:19:04 7.357838 0.3657 BFGS: 898 14:19:04 7.305975 0.3620 BFGS: 899 14:19:04 7.254383 0.3583 BFGS: 900 14:19:04 7.203062 0.3546 BFGS: 901 14:19:04 7.152012 0.3509 BFGS: 902 14:19:04 7.101232 0.3473 BFGS: 903 14:19:04 7.050721 0.3437 BFGS: 904 14:19:04 7.000479 0.3400 BFGS: 905 14:19:04 6.950505 0.3364 BFGS: 906 14:19:04 6.900798 0.3328 BFGS: 907 14:19:04 6.851358 0.3293 BFGS: 908 14:19:04 6.802184 0.3257 BFGS: 909 14:19:04 6.753275 0.3221 BFGS: 910 14:19:04 6.704631 0.3186 BFGS: 911 14:19:04 6.656250 0.3151 BFGS: 912 14:19:04 6.608131 0.3116 BFGS: 913 14:19:05 6.560274 0.3088 BFGS: 914 14:19:05 6.512678 0.3072 BFGS: 915 14:19:05 6.465341 0.3057 BFGS: 916 14:19:05 6.418264 0.3041 BFGS: 917 14:19:05 6.371444 0.3026 BFGS: 918 14:19:05 6.324881 0.3010 BFGS: 919 14:19:05 6.278574 0.2995 BFGS: 920 14:19:05 6.232522 0.2980 BFGS: 921 14:19:05 6.186724 0.2964 BFGS: 922 14:19:05 6.141179 0.2949 BFGS: 923 14:19:05 6.095886 0.2934 BFGS: 924 14:19:05 6.050843 0.2919 BFGS: 925 14:19:05 6.006050 0.2904 BFGS: 926 14:19:05 5.961506 0.2889 BFGS: 927 14:19:05 5.917210 0.2877 BFGS: 928 14:19:05 5.873160 0.2872 BFGS: 929 14:19:05 5.829356 0.2868 BFGS: 930 14:19:05 5.785796 0.2864 BFGS: 931 14:19:05 5.742480 0.2859 BFGS: 932 14:19:05 5.699406 0.2854 BFGS: 933 14:19:05 5.656573 0.2850 BFGS: 934 14:19:05 5.613981 0.2845 BFGS: 935 14:19:05 5.571628 0.2840 BFGS: 936 14:19:05 5.529513 0.2836 BFGS: 937 14:19:05 5.487635 0.2831 BFGS: 938 14:19:05 5.445993 0.2826 BFGS: 939 14:19:05 5.404586 0.2821 BFGS: 940 14:19:05 5.363413 0.2816 BFGS: 941 14:19:05 5.322473 0.2811 BFGS: 942 14:19:05 5.281765 0.2806 BFGS: 943 14:19:05 5.241287 0.2801 BFGS: 944 14:19:05 5.201039 0.2796 BFGS: 945 14:19:05 5.161019 0.2791 BFGS: 946 14:19:05 5.121227 0.2786 BFGS: 947 14:19:05 5.081662 0.2781 BFGS: 948 14:19:05 5.042322 0.2776 BFGS: 949 14:19:05 5.003206 0.2771 BFGS: 950 14:19:05 4.964314 0.2766 BFGS: 951 14:19:05 4.925644 0.2761 BFGS: 952 14:19:05 4.887196 0.2756 BFGS: 953 14:19:05 4.848968 0.2751 BFGS: 954 14:19:05 4.810959 0.2745 BFGS: 955 14:19:05 4.773168 0.2740 BFGS: 956 14:19:05 4.735595 0.2735 BFGS: 957 14:19:05 4.698238 0.2730 BFGS: 958 14:19:05 4.661096 0.2724 BFGS: 959 14:19:05 4.624168 0.2719 BFGS: 960 14:19:05 4.587454 0.2714 BFGS: 961 14:19:05 4.550951 0.2709 BFGS: 962 14:19:05 4.514661 0.2703 BFGS: 963 14:19:05 4.478580 0.2698 BFGS: 964 14:19:05 4.442709 0.2693 BFGS: 965 14:19:05 4.407046 0.2687 BFGS: 966 14:19:05 4.371590 0.2682 BFGS: 967 14:19:05 4.336341 0.2676 BFGS: 968 14:19:05 4.301297 0.2671 BFGS: 969 14:19:05 4.266458 0.2666 BFGS: 970 14:19:05 4.231822 0.2660 BFGS: 971 14:19:05 4.197388 0.2655 BFGS: 972 14:19:05 4.163157 0.2650 BFGS: 973 14:19:05 4.129126 0.2644 BFGS: 974 14:19:05 4.095294 0.2639 BFGS: 975 14:19:05 4.061662 0.2633 BFGS: 976 14:19:05 4.028227 0.2628 BFGS: 977 14:19:05 3.994990 0.2622 BFGS: 978 14:19:05 3.961948 0.2617 BFGS: 979 14:19:05 3.929101 0.2611 BFGS: 980 14:19:05 3.896449 0.2606 BFGS: 981 14:19:05 3.863990 0.2601 BFGS: 982 14:19:05 3.831724 0.2595 BFGS: 983 14:19:05 3.799648 0.2590 BFGS: 984 14:19:05 3.767764 0.2584 BFGS: 985 14:19:05 3.736069 0.2579 BFGS: 986 14:19:05 3.704563 0.2573 BFGS: 987 14:19:05 3.673245 0.2568 BFGS: 988 14:19:05 3.642115 0.2562 BFGS: 989 14:19:05 3.611170 0.2557 BFGS: 990 14:19:05 3.580411 0.2551 BFGS: 991 14:19:05 3.549836 0.2545 BFGS: 992 14:19:05 3.519445 0.2540 BFGS: 993 14:19:05 3.489236 0.2534 BFGS: 994 14:19:05 3.459210 0.2529 BFGS: 995 14:19:05 3.429365 0.2523 BFGS: 996 14:19:05 3.399700 0.2518 BFGS: 997 14:19:05 3.370214 0.2512 BFGS: 998 14:19:05 3.340907 0.2507 BFGS: 999 14:19:05 3.311778 0.2501 BFGS: 1000 14:19:05 3.282825 0.2495 BFGS: 1001 14:19:05 3.254049 0.2490 BFGS: 1002 14:19:05 3.225448 0.2484 BFGS: 1003 14:19:05 3.197022 0.2479 BFGS: 1004 14:19:05 3.168769 0.2473 BFGS: 1005 14:19:05 3.140689 0.2468 BFGS: 1006 14:19:05 3.112781 0.2462 BFGS: 1007 14:19:05 3.085045 0.2456 BFGS: 1008 14:19:05 3.057479 0.2451 BFGS: 1009 14:19:05 3.030083 0.2445 BFGS: 1010 14:19:05 3.002856 0.2439 BFGS: 1011 14:19:05 2.975797 0.2434 BFGS: 1012 14:19:05 2.948905 0.2428 BFGS: 1013 14:19:05 2.922180 0.2423 BFGS: 1014 14:19:05 2.895621 0.2417 BFGS: 1015 14:19:05 2.869226 0.2411 BFGS: 1016 14:19:05 2.842997 0.2406 BFGS: 1017 14:19:05 2.816931 0.2400 BFGS: 1018 14:19:05 2.791027 0.2394 BFGS: 1019 14:19:05 2.765286 0.2389 BFGS: 1020 14:19:05 2.739706 0.2383 BFGS: 1021 14:19:05 2.714287 0.2377 BFGS: 1022 14:19:05 2.689028 0.2372 BFGS: 1023 14:19:05 2.663927 0.2366 BFGS: 1024 14:19:05 2.638986 0.2360 BFGS: 1025 14:19:05 2.614202 0.2355 BFGS: 1026 14:19:05 2.589575 0.2349 BFGS: 1027 14:19:05 2.565104 0.2343 BFGS: 1028 14:19:05 2.540789 0.2337 BFGS: 1029 14:19:05 2.516628 0.2332 BFGS: 1030 14:19:05 2.492622 0.2326 BFGS: 1031 14:19:05 2.468770 0.2320 BFGS: 1032 14:19:06 2.445070 0.2315 BFGS: 1033 14:19:06 2.421522 0.2309 BFGS: 1034 14:19:06 2.398126 0.2303 BFGS: 1035 14:19:06 2.374880 0.2297 BFGS: 1036 14:19:06 2.351784 0.2292 BFGS: 1037 14:19:06 2.328838 0.2286 BFGS: 1038 14:19:06 2.306040 0.2280 BFGS: 1039 14:19:06 2.283391 0.2274 BFGS: 1040 14:19:06 2.260888 0.2269 BFGS: 1041 14:19:06 2.238533 0.2263 BFGS: 1042 14:19:06 2.216323 0.2257 BFGS: 1043 14:19:06 2.194259 0.2251 BFGS: 1044 14:19:06 2.172340 0.2245 BFGS: 1045 14:19:06 2.150565 0.2240 BFGS: 1046 14:19:06 2.128933 0.2234 BFGS: 1047 14:19:06 2.107444 0.2228 BFGS: 1048 14:19:06 2.086097 0.2222 BFGS: 1049 14:19:06 2.064892 0.2216 BFGS: 1050 14:19:06 2.043827 0.2211 BFGS: 1051 14:19:06 2.022903 0.2205 BFGS: 1052 14:19:06 2.002119 0.2199 BFGS: 1053 14:19:06 1.981473 0.2193 BFGS: 1054 14:19:06 1.960966 0.2187 BFGS: 1055 14:19:06 1.940597 0.2181 BFGS: 1056 14:19:06 1.920365 0.2175 BFGS: 1057 14:19:06 1.900270 0.2170 BFGS: 1058 14:19:06 1.880311 0.2164 BFGS: 1059 14:19:06 1.860487 0.2158 BFGS: 1060 14:19:06 1.840798 0.2152 BFGS: 1061 14:19:06 1.821243 0.2146 BFGS: 1062 14:19:06 1.801822 0.2140 BFGS: 1063 14:19:06 1.782534 0.2134 BFGS: 1064 14:19:06 1.763378 0.2128 BFGS: 1065 14:19:06 1.744355 0.2122 BFGS: 1066 14:19:06 1.725462 0.2116 BFGS: 1067 14:19:06 1.706701 0.2110 BFGS: 1068 14:19:06 1.688069 0.2104 BFGS: 1069 14:19:06 1.669567 0.2098 BFGS: 1070 14:19:06 1.651195 0.2092 BFGS: 1071 14:19:06 1.632951 0.2086 BFGS: 1072 14:19:06 1.614834 0.2080 BFGS: 1073 14:19:06 1.596846 0.2074 BFGS: 1074 14:19:06 1.578984 0.2068 BFGS: 1075 14:19:06 1.561248 0.2062 BFGS: 1076 14:19:06 1.543638 0.2056 BFGS: 1077 14:19:06 1.526154 0.2050 BFGS: 1078 14:19:06 1.508794 0.2044 BFGS: 1079 14:19:06 1.491558 0.2038 BFGS: 1080 14:19:06 1.474446 0.2032 BFGS: 1081 14:19:06 1.457458 0.2026 BFGS: 1082 14:19:06 1.440591 0.2020 BFGS: 1083 14:19:06 1.423847 0.2014 BFGS: 1084 14:19:06 1.407225 0.2008 BFGS: 1085 14:19:06 1.390723 0.2001 BFGS: 1086 14:19:06 1.374342 0.1995 BFGS: 1087 14:19:06 1.358082 0.1989 BFGS: 1088 14:19:06 1.341940 0.1983 BFGS: 1089 14:19:06 1.325918 0.1977 BFGS: 1090 14:19:06 1.310015 0.1971 BFGS: 1091 14:19:06 1.294229 0.1964 BFGS: 1092 14:19:06 1.278561 0.1958 BFGS: 1093 14:19:06 1.263010 0.1952 BFGS: 1094 14:19:06 1.247576 0.1946 BFGS: 1095 14:19:06 1.232258 0.1940 BFGS: 1096 14:19:06 1.217056 0.1933 BFGS: 1097 14:19:06 1.201969 0.1927 BFGS: 1098 14:19:06 1.186996 0.1921 BFGS: 1099 14:19:06 1.172138 0.1914 BFGS: 1100 14:19:06 1.157393 0.1908 BFGS: 1101 14:19:06 1.142762 0.1902 BFGS: 1102 14:19:06 1.128244 0.1895 BFGS: 1103 14:19:06 1.113838 0.1889 BFGS: 1104 14:19:06 1.099545 0.1883 BFGS: 1105 14:19:06 1.085362 0.1876 BFGS: 1106 14:19:06 1.071291 0.1870 BFGS: 1107 14:19:06 1.057330 0.1864 BFGS: 1108 14:19:06 1.043480 0.1857 BFGS: 1109 14:19:06 1.029739 0.1851 BFGS: 1110 14:19:06 1.016108 0.1844 BFGS: 1111 14:19:06 1.002585 0.1838 BFGS: 1112 14:19:06 0.989171 0.1831 BFGS: 1113 14:19:06 0.975865 0.1825 BFGS: 1114 14:19:06 0.962667 0.1818 BFGS: 1115 14:19:06 0.949574 0.1812 BFGS: 1116 14:19:06 0.936577 0.1805 BFGS: 1117 14:19:06 0.923674 0.1798 BFGS: 1118 14:19:06 0.910865 0.1791 BFGS: 1119 14:19:06 0.898152 0.1783 BFGS: 1120 14:19:06 0.885532 0.1776 BFGS: 1121 14:19:06 0.873007 0.1768 BFGS: 1122 14:19:06 0.860577 0.1759 BFGS: 1123 14:19:06 0.848242 0.1751 BFGS: 1124 14:19:06 0.836000 0.1742 BFGS: 1125 14:19:06 0.823854 0.1733 BFGS: 1126 14:19:06 0.811802 0.1724 BFGS: 1127 14:19:06 0.799844 0.1715 BFGS: 1128 14:19:06 0.787981 0.1706 BFGS: 1129 14:19:06 0.776213 0.1696 BFGS: 1130 14:19:06 0.764538 0.1686 BFGS: 1131 14:19:06 0.752959 0.1676 BFGS: 1132 14:19:06 0.741473 0.1666 BFGS: 1133 14:19:06 0.730081 0.1656 BFGS: 1134 14:19:06 0.718784 0.1646 BFGS: 1135 14:19:06 0.707581 0.1636 BFGS: 1136 14:19:06 0.696471 0.1625 BFGS: 1137 14:19:06 0.685456 0.1614 BFGS: 1138 14:19:06 0.674534 0.1604 BFGS: 1139 14:19:06 0.663706 0.1593 BFGS: 1140 14:19:06 0.652971 0.1582 BFGS: 1141 14:19:06 0.642331 0.1571 BFGS: 1142 14:19:06 0.631783 0.1560 BFGS: 1143 14:19:06 0.621329 0.1549 BFGS: 1144 14:19:06 0.610968 0.1538 BFGS: 1145 14:19:06 0.600700 0.1526 BFGS: 1146 14:19:06 0.590525 0.1515 BFGS: 1147 14:19:06 0.580443 0.1503 BFGS: 1148 14:19:06 0.570453 0.1492 BFGS: 1149 14:19:06 0.560556 0.1480 BFGS: 1150 14:19:06 0.550752 0.1469 BFGS: 1151 14:19:07 0.541040 0.1457 BFGS: 1152 14:19:07 0.531420 0.1445 BFGS: 1153 14:19:07 0.521892 0.1433 BFGS: 1154 14:19:07 0.512456 0.1422 BFGS: 1155 14:19:07 0.503112 0.1410 BFGS: 1156 14:19:07 0.493860 0.1398 BFGS: 1157 14:19:07 0.484699 0.1386 BFGS: 1158 14:19:07 0.475630 0.1374 BFGS: 1159 14:19:07 0.466651 0.1362 BFGS: 1160 14:19:07 0.457764 0.1350 BFGS: 1161 14:19:07 0.448968 0.1338 BFGS: 1162 14:19:07 0.440263 0.1326 BFGS: 1163 14:19:07 0.431648 0.1313 BFGS: 1164 14:19:07 0.423124 0.1301 BFGS: 1165 14:19:07 0.414690 0.1289 BFGS: 1166 14:19:07 0.406346 0.1277 BFGS: 1167 14:19:07 0.398092 0.1265 BFGS: 1168 14:19:07 0.389928 0.1252 BFGS: 1169 14:19:07 0.381854 0.1240 BFGS: 1170 14:19:07 0.373870 0.1228 BFGS: 1171 14:19:07 0.365975 0.1216 BFGS: 1172 14:19:07 0.358169 0.1203 BFGS: 1173 14:19:07 0.350452 0.1191 BFGS: 1174 14:19:07 0.342824 0.1179 BFGS: 1175 14:19:07 0.335285 0.1166 BFGS: 1176 14:19:07 0.327835 0.1154 BFGS: 1177 14:19:07 0.320473 0.1142 BFGS: 1178 14:19:07 0.313199 0.1129 BFGS: 1179 14:19:07 0.306014 0.1117 BFGS: 1180 14:19:07 0.298916 0.1105 BFGS: 1181 14:19:07 0.291906 0.1092 BFGS: 1182 14:19:07 0.284984 0.1080 BFGS: 1183 14:19:07 0.278150 0.1067 BFGS: 1184 14:19:07 0.271403 0.1055 BFGS: 1185 14:19:07 0.264743 0.1043 BFGS: 1186 14:19:07 0.258170 0.1030 BFGS: 1187 14:19:07 0.251684 0.1018 BFGS: 1188 14:19:07 0.245284 0.1005 BFGS: 1189 14:19:07 0.238971 0.0993 BFGS: 1190 14:19:07 0.232745 0.0981 BFGS: 1191 14:19:07 0.226604 0.0968 BFGS: 1192 14:19:07 0.220550 0.0956 BFGS: 1193 14:19:07 0.214582 0.0943 BFGS: 1194 14:19:07 0.208699 0.0931 BFGS: 1195 14:19:07 0.202902 0.0918 BFGS: 1196 14:19:07 0.197190 0.0906 BFGS: 1197 14:19:07 0.191563 0.0894 BFGS: 1198 14:19:07 0.186022 0.0881 BFGS: 1199 14:19:07 0.180565 0.0869 BFGS: 1200 14:19:07 0.175193 0.0856 BFGS: 1201 14:19:07 0.169906 0.0844 BFGS: 1202 14:19:07 0.164703 0.0832 BFGS: 1203 14:19:07 0.159585 0.0819 BFGS: 1204 14:19:07 0.154550 0.0807 BFGS: 1205 14:19:07 0.149600 0.0794 BFGS: 1206 14:19:07 0.144733 0.0782 BFGS: 1207 14:19:07 0.139950 0.0770 BFGS: 1208 14:19:07 0.135250 0.0757 BFGS: 1209 14:19:07 0.130633 0.0745 BFGS: 1210 14:19:07 0.126100 0.0732 BFGS: 1211 14:19:07 0.121649 0.0720 BFGS: 1212 14:19:07 0.117282 0.0708 BFGS: 1213 14:19:07 0.112997 0.0695 BFGS: 1214 14:19:07 0.108794 0.0683 BFGS: 1215 14:19:07 0.104674 0.0671 BFGS: 1216 14:19:07 0.100636 0.0658 BFGS: 1217 14:19:07 0.096680 0.0646 BFGS: 1218 14:19:07 0.092806 0.0633 BFGS: 1219 14:19:07 0.089013 0.0621 BFGS: 1220 14:19:07 0.085302 0.0609 BFGS: 1221 14:19:07 0.081673 0.0596 BFGS: 1222 14:19:07 0.078124 0.0584 BFGS: 1223 14:19:07 0.074657 0.0572 BFGS: 1224 14:19:07 0.071271 0.0559 BFGS: 1225 14:19:07 0.067965 0.0547 BFGS: 1226 14:19:07 0.064740 0.0535 BFGS: 1227 14:19:07 0.061595 0.0522 BFGS: 1228 14:19:07 0.058531 0.0510 BFGS: 1229 14:19:07 0.055546 0.0498 BFGS: 1230 14:19:07 0.052642 0.0485 BFGS: 1231 14:19:07 0.049817 0.0473 BFGS: 1232 14:19:07 0.047072 0.0461 BFGS: 1233 14:19:07 0.044407 0.0448 BFGS: 1234 14:19:07 0.041821 0.0436 BFGS: 1235 14:19:07 0.039314 0.0423 BFGS: 1236 14:19:07 0.036886 0.0411 BFGS: 1237 14:19:07 0.034537 0.0399 BFGS: 1238 14:19:07 0.032266 0.0386 BFGS: 1239 14:19:07 0.030074 0.0374 BFGS: 1240 14:19:07 0.027961 0.0362 BFGS: 1241 14:19:07 0.025926 0.0349 BFGS: 1242 14:19:07 0.023969 0.0337 BFGS: 1243 14:19:07 0.022090 0.0325 BFGS: 1244 14:19:07 0.020289 0.0312 BFGS: 1245 14:19:07 0.018565 0.0300 BFGS: 1246 14:19:07 0.016919 0.0287 BFGS: 1247 14:19:07 0.015351 0.0275 BFGS: 1248 14:19:07 0.013859 0.0262 BFGS: 1249 14:19:07 0.012445 0.0250 BFGS: 1250 14:19:07 0.011107 0.0237 BFGS: 1251 14:19:07 0.009847 0.0225 BFGS: 1252 14:19:07 0.008663 0.0212 BFGS: 1253 14:19:07 0.007555 0.0200 BFGS: 1254 14:19:07 0.006524 0.0187 BFGS: 1255 14:19:07 0.005569 0.0175 BFGS: 1256 14:19:07 0.004690 0.0162 BFGS: 1257 14:19:07 0.003887 0.0149 BFGS: 1258 14:19:07 0.003160 0.0137 BFGS: 1259 14:19:07 0.002508 0.0124 BFGS: 1260 14:19:07 0.001932 0.0111 BFGS: 1261 14:19:07 0.001431 0.0098 BFGS: 1262 14:19:07 0.001006 0.0085 BFGS: 1263 14:19:07 0.000655 0.0072 BFGS: 1264 14:19:07 0.000380 0.0059 BFGS: 1265 14:19:07 0.000179 0.0045 BFGS: 1266 14:19:07 0.000054 0.0032 BFGS: 1267 14:19:07 0.000003 0.0014 BFGS: 1268 14:19:07 0.000000 0.0004 BFGS: 1269 14:19:07 0.000000 0.0000 BFGS: 1270 14:19:07 0.000000 0.0000 Minimization converged after 1270 steps. Maximum force component: 1.574719191027023e-12 eV/Angstrom Maximum stress component: 4.7322036749359334e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.17182843 0.17182843 0.17182843] [0.82817157 0.82817157 0.17182843] [0.82817157 0.17182843 0.82817157] [0.17182843 0.82817157 0.82817157] [0.17182843 0.17182843 0.82817157] [0.82817157 0.82817157 0.82817157] [0.17182843 0.82817157 0.17182843] [0.82817157 0.17182843 0.17182843] [0.5 0.2441128 0.2441128 ] [0.5 0.7558872 0.2441128 ] [0.5 0.2441128 0.7558872 ] [0.5 0.7558872 0.7558872 ] [0.2441128 0.5 0.2441128 ] [0.2441128 0.5 0.7558872 ] [0.7558872 0.5 0.2441128 ] [0.7558872 0.5 0.7558872 ] [0.2441128 0.2441128 0.5 ] [0.7558872 0.2441128 0.5 ] [0.2441128 0.7558872 0.5 ] [0.7558872 0.7558872 0.5 ]] cellpar = Cell([[21.387613625044768, -4.736283254343044e-31, 4.251405608350471e-31], [-3.9269898594555e-31, 21.387613625044768, -1.0355960900925248e-16], [-1.3592795182074395e-31, -1.0355960900925217e-16, 21.387613625044768]]) forces = [[ 1.57471919e-12 1.57471919e-12 1.57471919e-12] [-1.57471919e-12 -1.57471919e-12 1.57471919e-12] [-1.57471919e-12 1.57471919e-12 -1.57471919e-12] [ 1.57471919e-12 -1.57471919e-12 -1.57471919e-12] [ 1.57471919e-12 1.57471919e-12 -1.57471919e-12] [-1.57471919e-12 -1.57471919e-12 -1.57471919e-12] [ 1.57471919e-12 -1.57471919e-12 1.57471919e-12] [-1.57471919e-12 1.57471919e-12 1.57471919e-12] [ 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] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-4.73220367e-15 -4.73220367e-15 -4.73220367e-15 1.22267574e-31 -1.83804964e-47 -1.69764821e-62] 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