element(s): ['C'] AFLOW prototype label: A_mC16_12_4i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.1921', '0.27467064', '0.45133321', '82.971', '0.94271241', '0.87955035', '0.44178398', '0.65364615', '0.78567809', '0.059238811', '0.27133365', '0.58534651'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C'] representative atom coordinates = [[0.05728759 0. 0.12044965] [0.55821602 0. 0.34635385] [0.21432191 0. 0.94076119] [0.72866635 0. 0.41465349]] spacegroup = 12 cell = [[9.1921, 0, 0], [0, 2.5248, 0], [0.50768347396664, 0, 4.1175197850479]] ========================================= Step Time Energy fmax BFGS: 0 16:15:21 2049.694005 213.1294 BFGS: 1 16:15:21 2015.490585 206.8481 BFGS: 2 16:15:21 1984.942903 203.8733 BFGS: 3 16:15:21 1960.973912 199.8634 BFGS: 4 16:15:21 1935.665005 197.2473 BFGS: 5 16:15:21 1909.503674 191.9337 BFGS: 6 16:15:21 1883.761890 187.9596 BFGS: 7 16:15:21 1858.917028 184.6538 BFGS: 8 16:15:21 1836.283974 180.6389 BFGS: 9 16:15:21 1815.117105 178.3715 BFGS: 10 16:15:21 1793.844727 173.8084 BFGS: 11 16:15:22 1773.665558 171.4208 BFGS: 12 16:15:22 1754.652422 168.8550 BFGS: 13 16:15:22 1736.451188 166.4296 BFGS: 14 16:15:22 1719.201184 164.1280 BFGS: 15 16:15:22 1702.814713 161.9395 BFGS: 16 16:15:22 1687.305827 159.8678 BFGS: 17 16:15:22 1672.629633 157.9056 BFGS: 18 16:15:22 1658.759718 156.0480 BFGS: 19 16:15:22 1645.656876 154.2883 BFGS: 20 16:15:22 1633.286606 152.6242 BFGS: 21 16:15:22 1621.607412 151.0480 BFGS: 22 16:15:22 1610.574681 149.5534 BFGS: 23 16:15:22 1600.150236 148.1336 BFGS: 24 16:15:22 1590.295370 146.7836 BFGS: 25 16:15:22 1580.975460 145.4992 BFGS: 26 16:15:22 1572.153090 144.2752 BFGS: 27 16:15:22 1563.790794 143.1072 BFGS: 28 16:15:22 1555.852212 141.9906 BFGS: 29 16:15:22 1548.301289 140.9225 BFGS: 30 16:15:22 1541.104171 139.8993 BFGS: 31 16:15:22 1534.223491 138.9148 BFGS: 32 16:15:22 1527.623623 137.9644 BFGS: 33 16:15:22 1521.271340 137.0445 BFGS: 34 16:15:22 1515.135722 136.1518 BFGS: 35 16:15:22 1509.187494 135.2834 BFGS: 36 16:15:22 1503.395985 134.4372 BFGS: 37 16:15:22 1497.729898 133.6161 BFGS: 38 16:15:22 1492.165653 132.8108 BFGS: 39 16:15:22 1486.670750 132.0182 BFGS: 40 16:15:22 1481.216640 131.3668 BFGS: 41 16:15:22 1475.778853 130.8032 BFGS: 42 16:15:22 1470.337830 130.2278 BFGS: 43 16:15:22 1464.878899 129.6389 BFGS: 44 16:15:22 1459.390961 129.0352 BFGS: 45 16:15:22 1453.864756 128.4153 BFGS: 46 16:15:22 1448.291716 127.7778 BFGS: 47 16:15:22 1442.663590 127.1213 BFGS: 48 16:15:22 1436.972203 126.4449 BFGS: 49 16:15:22 1431.208717 125.7462 BFGS: 50 16:15:22 1425.365500 125.0273 BFGS: 51 16:15:22 1419.437484 124.2836 BFGS: 52 16:15:22 1413.417960 123.5153 BFGS: 53 16:15:22 1407.300529 122.7198 BFGS: 54 16:15:22 1401.077920 121.8991 BFGS: 55 16:15:22 1394.744704 121.0557 BFGS: 56 16:15:22 1388.298849 120.1856 BFGS: 57 16:15:22 1381.734897 119.2837 BFGS: 58 16:15:22 1375.045857 118.3516 BFGS: 59 16:15:22 1368.225924 117.5232 BFGS: 60 16:15:22 1361.267861 116.8504 BFGS: 61 16:15:22 1354.167539 116.1814 BFGS: 62 16:15:22 1346.917136 115.5209 BFGS: 63 16:15:22 1339.517612 114.8628 BFGS: 64 16:15:22 1331.958664 114.2098 BFGS: 65 16:15:22 1324.249291 113.5589 BFGS: 66 16:15:22 1316.372779 112.9120 BFGS: 67 16:15:22 1308.356839 112.2595 BFGS: 68 16:15:22 1300.167696 111.6158 BFGS: 69 16:15:22 1291.876263 110.9581 BFGS: 70 16:15:22 1283.406743 110.3214 BFGS: 71 16:15:22 1274.895465 109.6468 BFGS: 72 16:15:22 1266.221612 109.0032 BFGS: 73 16:15:22 1257.568731 108.3060 BFGS: 74 16:15:22 1248.811568 107.6375 BFGS: 75 16:15:22 1240.123114 106.9203 BFGS: 76 16:15:22 1231.429643 106.2136 BFGS: 77 16:15:22 1222.854663 105.4787 BFGS: 78 16:15:22 1214.374869 104.7419 BFGS: 79 16:15:22 1206.066507 103.9828 BFGS: 80 16:15:22 1197.931745 103.2163 BFGS: 81 16:15:22 1190.012539 102.4365 BFGS: 82 16:15:22 1182.318021 101.6551 BFGS: 83 16:15:22 1174.867583 100.8770 BFGS: 84 16:15:22 1167.672112 100.1023 BFGS: 85 16:15:22 1160.737927 99.3355 BFGS: 86 16:15:22 1154.066474 98.5784 BFGS: 87 16:15:22 1147.657361 97.8344 BFGS: 88 16:15:22 1141.507694 97.1069 BFGS: 89 16:15:22 1135.612737 96.3983 BFGS: 90 16:15:22 1129.966709 95.7110 BFGS: 91 16:15:22 1124.562080 95.0464 BFGS: 92 16:15:22 1119.391331 94.4057 BFGS: 93 16:15:22 1114.446323 93.7921 BFGS: 94 16:15:22 1109.719102 93.2046 BFGS: 95 16:15:22 1105.201257 92.6426 BFGS: 96 16:15:22 1100.884221 92.1061 BFGS: 97 16:15:22 1096.759356 91.5945 BFGS: 98 16:15:22 1092.819248 91.1068 BFGS: 99 16:15:22 1089.054764 90.6420 BFGS: 100 16:15:22 1085.457469 90.2018 BFGS: 101 16:15:22 1082.018125 89.7844 BFGS: 102 16:15:22 1078.728827 89.3870 BFGS: 103 16:15:22 1075.580152 89.0089 BFGS: 104 16:15:22 1072.564883 88.6489 BFGS: 105 16:15:22 1069.673238 88.3060 BFGS: 106 16:15:22 1066.898979 87.9795 BFGS: 107 16:15:22 1064.232002 87.6713 BFGS: 108 16:15:22 1061.667866 87.3774 BFGS: 109 16:15:22 1059.195346 87.0966 BFGS: 110 16:15:22 1056.812100 86.8271 BFGS: 111 16:15:22 1054.504654 86.5699 BFGS: 112 16:15:22 1052.274022 86.3225 BFGS: 113 16:15:22 1050.103234 86.0855 BFGS: 114 16:15:22 1047.997559 85.8553 BFGS: 115 16:15:22 1045.937561 85.6341 BFGS: 116 16:15:22 1043.930483 85.4186 BFGS: 117 16:15:22 1041.960101 85.2108 BFGS: 118 16:15:22 1040.030080 85.0082 BFGS: 119 16:15:22 1038.129719 84.8109 BFGS: 120 16:15:22 1036.257871 84.6176 BFGS: 121 16:15:22 1034.407460 84.4281 BFGS: 122 16:15:22 1032.575087 84.2415 BFGS: 123 16:15:22 1030.755358 84.0580 BFGS: 124 16:15:22 1028.943983 83.8764 BFGS: 125 16:15:22 1027.135884 83.6968 BFGS: 126 16:15:22 1025.420924 83.5307 BFGS: 127 16:15:22 1023.810116 83.3777 BFGS: 128 16:15:22 1022.244000 83.2313 BFGS: 129 16:15:22 1020.674386 83.0845 BFGS: 130 16:15:22 1019.090902 82.9370 BFGS: 131 16:15:22 1017.495083 82.7883 BFGS: 132 16:15:22 1015.885706 82.6388 BFGS: 133 16:15:22 1014.263906 82.4884 BFGS: 134 16:15:22 1012.629037 82.3373 BFGS: 135 16:15:22 1010.981810 82.1854 BFGS: 136 16:15:22 1009.321884 82.0332 BFGS: 137 16:15:22 1007.649473 81.8810 BFGS: 138 16:15:22 1005.964196 81.7282 BFGS: 139 16:15:22 1004.266632 81.5751 BFGS: 140 16:15:22 1002.556800 81.4219 BFGS: 141 16:15:22 1000.834937 81.2682 BFGS: 142 16:15:22 999.101262 81.1139 BFGS: 143 16:15:22 997.356110 80.9591 BFGS: 144 16:15:22 995.599631 80.8042 BFGS: 145 16:15:22 993.831923 80.6499 BFGS: 146 16:15:22 992.053168 80.4959 BFGS: 147 16:15:22 990.263586 80.3419 BFGS: 148 16:15:22 988.463574 80.1871 BFGS: 149 16:15:22 986.653762 80.0316 BFGS: 150 16:15:22 984.834549 79.8781 BFGS: 151 16:15:22 983.006104 79.7239 BFGS: 152 16:15:22 981.169365 79.5696 BFGS: 153 16:15:22 979.324614 79.4154 BFGS: 154 16:15:22 977.472116 79.2601 BFGS: 155 16:15:22 975.612665 79.1037 BFGS: 156 16:15:22 973.746769 78.9471 BFGS: 157 16:15:22 971.874547 78.7891 BFGS: 158 16:15:22 969.996678 78.6296 BFGS: 159 16:15:22 968.113625 78.4685 BFGS: 160 16:15:22 966.225748 78.3058 BFGS: 161 16:15:22 964.333183 78.1416 BFGS: 162 16:15:22 962.436121 77.9755 BFGS: 163 16:15:22 960.534847 77.8077 BFGS: 164 16:15:22 958.629536 77.6379 BFGS: 165 16:15:22 956.720296 77.4663 BFGS: 166 16:15:22 954.807160 77.2930 BFGS: 167 16:15:22 952.890117 77.1180 BFGS: 168 16:15:22 950.969104 76.9412 BFGS: 169 16:15:22 949.044079 76.7625 BFGS: 170 16:15:22 947.115034 76.5822 BFGS: 171 16:15:22 945.181759 76.4007 BFGS: 172 16:15:22 943.243970 76.2172 BFGS: 173 16:15:22 941.301800 76.0319 BFGS: 174 16:15:22 939.355223 75.8447 BFGS: 175 16:15:22 937.404124 75.6556 BFGS: 176 16:15:22 935.448329 75.4647 BFGS: 177 16:15:22 933.487614 75.2720 BFGS: 178 16:15:22 931.521706 75.0776 BFGS: 179 16:15:22 929.550275 74.8814 BFGS: 180 16:15:22 927.572941 74.6835 BFGS: 181 16:15:22 925.589342 74.4837 BFGS: 182 16:15:22 923.599032 74.2821 BFGS: 183 16:15:22 921.601496 74.0789 BFGS: 184 16:15:22 919.596088 73.8739 BFGS: 185 16:15:22 917.582123 73.6671 BFGS: 186 16:15:22 915.558922 73.4585 BFGS: 187 16:15:22 913.525797 73.2480 BFGS: 188 16:15:22 911.482047 73.0357 BFGS: 189 16:15:22 909.426965 72.8214 BFGS: 190 16:15:22 907.359850 72.6054 BFGS: 191 16:15:22 905.279975 72.3896 BFGS: 192 16:15:22 903.186223 72.1722 BFGS: 193 16:15:22 901.078058 71.9531 BFGS: 194 16:15:22 898.955179 71.7321 BFGS: 195 16:15:23 896.817247 71.5094 BFGS: 196 16:15:23 894.663965 71.2848 BFGS: 197 16:15:23 892.495091 71.0585 BFGS: 198 16:15:23 890.310441 70.8305 BFGS: 199 16:15:23 888.109959 70.6009 BFGS: 200 16:15:23 885.893699 70.3697 BFGS: 201 16:15:23 883.661811 70.1370 BFGS: 202 16:15:23 881.414518 69.9049 BFGS: 203 16:15:23 879.163683 69.6733 BFGS: 204 16:15:23 876.929649 69.4437 BFGS: 205 16:15:23 874.711651 69.2165 BFGS: 206 16:15:23 872.508710 68.9920 BFGS: 207 16:15:23 870.319740 68.7692 BFGS: 208 16:15:23 868.143875 68.5482 BFGS: 209 16:15:23 865.980224 68.3289 BFGS: 210 16:15:23 863.827979 68.1111 BFGS: 211 16:15:23 861.686321 67.8948 BFGS: 212 16:15:23 859.554438 67.6799 BFGS: 213 16:15:23 857.431535 67.4664 BFGS: 214 16:15:23 855.316793 67.2541 BFGS: 215 16:15:23 853.209714 67.0438 BFGS: 216 16:15:23 851.108584 66.8354 BFGS: 217 16:15:23 849.012342 66.6280 BFGS: 218 16:15:23 846.920460 66.4213 BFGS: 219 16:15:23 844.832882 66.2154 BFGS: 220 16:15:23 842.749318 66.0108 BFGS: 221 16:15:23 840.669322 65.8072 BFGS: 222 16:15:23 838.592576 65.6045 BFGS: 223 16:15:23 836.518910 65.4022 BFGS: 224 16:15:23 834.447939 65.2003 BFGS: 225 16:15:23 832.379314 64.9987 BFGS: 226 16:15:23 830.312718 64.7974 BFGS: 227 16:15:23 828.247860 64.5963 BFGS: 228 16:15:23 826.184477 64.3953 BFGS: 229 16:15:23 824.122315 64.1961 BFGS: 230 16:15:23 822.060819 63.9969 BFGS: 231 16:15:23 819.999888 63.7977 BFGS: 232 16:15:23 817.939349 63.5985 BFGS: 233 16:15:23 815.879207 63.3992 BFGS: 234 16:15:23 813.819270 63.1998 BFGS: 235 16:15:23 811.759381 63.0002 BFGS: 236 16:15:23 809.699408 62.8004 BFGS: 237 16:15:23 807.639242 62.6004 BFGS: 238 16:15:23 805.578788 62.4000 BFGS: 239 16:15:23 803.517942 62.1994 BFGS: 240 16:15:23 801.456524 61.9984 BFGS: 241 16:15:23 799.394542 61.7971 BFGS: 242 16:15:23 797.331997 61.5956 BFGS: 243 16:15:23 795.268617 61.3960 BFGS: 244 16:15:23 793.203034 61.1966 BFGS: 245 16:15:23 791.135294 60.9981 BFGS: 246 16:15:23 789.065175 60.7990 BFGS: 247 16:15:23 786.992378 60.5993 BFGS: 248 16:15:23 784.917489 60.3991 BFGS: 249 16:15:23 782.840953 60.1982 BFGS: 250 16:15:23 780.763019 59.9968 BFGS: 251 16:15:23 778.683821 59.7949 BFGS: 252 16:15:23 776.603272 59.5925 BFGS: 253 16:15:23 774.520824 59.3895 BFGS: 254 16:15:23 772.436858 59.1860 BFGS: 255 16:15:23 770.351564 58.9818 BFGS: 256 16:15:23 768.265062 58.7770 BFGS: 257 16:15:23 766.177447 58.5717 BFGS: 258 16:15:23 764.088508 58.3659 BFGS: 259 16:15:23 761.997944 58.1596 BFGS: 260 16:15:23 759.905683 57.9537 BFGS: 261 16:15:23 757.811798 57.7472 BFGS: 262 16:15:23 755.716539 57.5400 BFGS: 263 16:15:23 753.620082 57.3322 BFGS: 264 16:15:23 751.522566 57.1240 BFGS: 265 16:15:23 749.424136 56.9153 BFGS: 266 16:15:23 747.324956 56.7059 BFGS: 267 16:15:23 745.225154 56.4960 BFGS: 268 16:15:23 743.124375 56.2853 BFGS: 269 16:15:23 741.022728 56.0743 BFGS: 270 16:15:23 738.920081 55.8629 BFGS: 271 16:15:23 736.816376 55.6508 BFGS: 272 16:15:23 734.712061 55.4381 BFGS: 273 16:15:23 732.607462 55.2247 BFGS: 274 16:15:23 730.502841 55.0108 BFGS: 275 16:15:23 728.398416 54.7965 BFGS: 276 16:15:23 726.294087 54.5816 BFGS: 277 16:15:23 724.190099 54.3662 BFGS: 278 16:15:23 722.086573 54.1503 BFGS: 279 16:15:23 719.983803 53.9338 BFGS: 280 16:15:23 717.882077 53.7169 BFGS: 281 16:15:23 715.781658 53.4995 BFGS: 282 16:15:23 713.682795 53.2817 BFGS: 283 16:15:23 711.585740 53.0635 BFGS: 284 16:15:23 709.490745 52.8449 BFGS: 285 16:15:23 707.398072 52.6261 BFGS: 286 16:15:23 705.307993 52.4069 BFGS: 287 16:15:23 703.220790 52.1875 BFGS: 288 16:15:23 701.136746 51.9695 BFGS: 289 16:15:23 699.055945 51.7529 BFGS: 290 16:15:23 696.978424 51.5375 BFGS: 291 16:15:23 694.903549 51.3221 BFGS: 292 16:15:23 692.832153 51.1067 BFGS: 293 16:15:23 690.764711 50.8913 BFGS: 294 16:15:23 688.701670 50.6760 BFGS: 295 16:15:23 686.643462 50.4608 BFGS: 296 16:15:23 684.590511 50.2457 BFGS: 297 16:15:23 682.543245 50.0310 BFGS: 298 16:15:23 680.502098 49.8170 BFGS: 299 16:15:23 678.466985 49.6037 BFGS: 300 16:15:23 676.438112 49.3908 BFGS: 301 16:15:23 674.416257 49.1785 BFGS: 302 16:15:23 672.402098 48.9669 BFGS: 303 16:15:23 670.396267 48.7565 BFGS: 304 16:15:23 668.398628 48.5474 BFGS: 305 16:15:23 666.409390 48.3392 BFGS: 306 16:15:23 664.429430 48.1328 BFGS: 307 16:15:23 662.458254 47.9281 BFGS: 308 16:15:23 660.495847 47.7257 BFGS: 309 16:15:23 658.541574 47.5242 BFGS: 310 16:15:23 656.597642 47.3249 BFGS: 311 16:15:23 654.663080 47.1271 BFGS: 312 16:15:23 652.738968 46.9306 BFGS: 313 16:15:23 650.827054 46.7360 BFGS: 314 16:15:23 648.926913 46.5432 BFGS: 315 16:15:23 647.039009 46.3518 BFGS: 316 16:15:23 645.164656 46.1621 BFGS: 317 16:15:23 643.304726 45.9741 BFGS: 318 16:15:23 641.459822 45.7879 BFGS: 319 16:15:23 639.630375 45.6035 BFGS: 320 16:15:23 637.816696 45.4211 BFGS: 321 16:15:23 636.018603 45.2411 BFGS: 322 16:15:23 634.234918 45.0626 BFGS: 323 16:15:23 632.466859 44.8860 BFGS: 324 16:15:23 630.714842 44.7112 BFGS: 325 16:15:23 628.978953 44.5381 BFGS: 326 16:15:23 627.259107 44.3672 BFGS: 327 16:15:23 625.553299 44.1992 BFGS: 328 16:15:23 623.852753 44.0318 BFGS: 329 16:15:23 622.162965 43.8657 BFGS: 330 16:15:23 620.486285 43.7024 BFGS: 331 16:15:23 618.817519 43.5409 BFGS: 332 16:15:23 617.157384 43.3806 BFGS: 333 16:15:23 615.505042 43.2213 BFGS: 334 16:15:23 613.863944 43.0632 BFGS: 335 16:15:23 612.234322 42.9063 BFGS: 336 16:15:23 610.615767 42.7519 BFGS: 337 16:15:23 609.004116 42.5986 BFGS: 338 16:15:23 607.400504 42.4467 BFGS: 339 16:15:23 605.803210 42.2954 BFGS: 340 16:15:23 604.214711 42.1451 BFGS: 341 16:15:23 602.634524 41.9957 BFGS: 342 16:15:23 601.061916 41.8471 BFGS: 343 16:15:23 599.496032 41.6998 BFGS: 344 16:15:23 597.933183 41.5533 BFGS: 345 16:15:23 596.373031 41.4071 BFGS: 346 16:15:23 594.816963 41.2614 BFGS: 347 16:15:24 593.263185 41.1159 BFGS: 348 16:15:24 591.711934 40.9707 BFGS: 349 16:15:24 590.158720 40.8255 BFGS: 350 16:15:24 588.599948 40.6798 BFGS: 351 16:15:24 587.029331 40.5331 BFGS: 352 16:15:24 585.434020 40.3843 BFGS: 353 16:15:24 583.772110 40.2294 BFGS: 354 16:15:24 581.369606 40.0075 BFGS: 355 16:15:24 579.582034 39.8423 BFGS: 356 16:15:24 577.775989 39.6753 BFGS: 357 16:15:24 575.947255 39.5063 BFGS: 358 16:15:24 574.091581 39.3350 BFGS: 359 16:15:24 572.204638 39.1609 BFGS: 360 16:15:24 570.281740 38.9834 BFGS: 361 16:15:24 568.318045 38.8022 BFGS: 362 16:15:24 566.308603 38.6169 BFGS: 363 16:15:24 564.248298 38.4268 BFGS: 364 16:15:24 562.132640 38.2316 BFGS: 365 16:15:24 559.957680 38.0306 BFGS: 366 16:15:24 557.720026 37.8237 BFGS: 367 16:15:24 555.417062 37.6105 BFGS: 368 16:15:24 553.120239 37.3977 BFGS: 369 16:15:24 550.847073 37.1869 BFGS: 370 16:15:24 548.599927 36.9786 BFGS: 371 16:15:24 546.380592 36.7726 BFGS: 372 16:15:24 544.190099 36.5689 BFGS: 373 16:15:24 542.028908 36.3677 BFGS: 374 16:15:24 539.896958 36.1696 BFGS: 375 16:15:24 537.793518 35.9743 BFGS: 376 16:15:24 535.717742 35.7815 BFGS: 377 16:15:24 533.668656 35.5910 BFGS: 378 16:15:24 531.645065 35.4035 BFGS: 379 16:15:24 529.645240 35.2183 BFGS: 380 16:15:24 527.667815 35.0351 BFGS: 381 16:15:24 525.711491 34.8540 BFGS: 382 16:15:24 523.774916 34.6748 BFGS: 383 16:15:24 521.856824 34.4981 BFGS: 384 16:15:24 519.955984 34.3231 BFGS: 385 16:15:24 518.071343 34.1497 BFGS: 386 16:15:24 516.202065 33.9778 BFGS: 387 16:15:24 514.347381 33.8074 BFGS: 388 16:15:24 512.506568 33.6383 BFGS: 389 16:15:24 510.678960 33.4705 BFGS: 390 16:15:24 508.863924 33.3040 BFGS: 391 16:15:24 507.060886 33.1386 BFGS: 392 16:15:24 505.269323 32.9744 BFGS: 393 16:15:24 503.488737 32.8138 BFGS: 394 16:15:24 501.718736 32.6547 BFGS: 395 16:15:24 499.958899 32.4966 BFGS: 396 16:15:24 498.208865 32.3394 BFGS: 397 16:15:24 496.468308 32.1831 BFGS: 398 16:15:24 494.736912 32.0287 BFGS: 399 16:15:24 493.014433 31.8752 BFGS: 400 16:15:24 491.300666 31.7226 BFGS: 401 16:15:24 489.595374 31.5751 BFGS: 402 16:15:24 487.898216 31.4325 BFGS: 403 16:15:24 486.208984 31.2905 BFGS: 404 16:15:24 484.527480 31.1492 BFGS: 405 16:15:24 482.853523 31.0086 BFGS: 406 16:15:24 481.186906 30.8704 BFGS: 407 16:15:24 479.527397 30.7333 BFGS: 408 16:15:24 477.874835 30.5968 BFGS: 409 16:15:24 476.229066 30.4610 BFGS: 410 16:15:24 474.589957 30.3260 BFGS: 411 16:15:24 472.957332 30.1925 BFGS: 412 16:15:24 471.331004 30.0596 BFGS: 413 16:15:24 469.710873 29.9272 BFGS: 414 16:15:24 468.096853 29.7953 BFGS: 415 16:15:24 466.488867 29.6639 BFGS: 416 16:15:24 464.886844 29.5331 BFGS: 417 16:15:24 463.290718 29.4027 BFGS: 418 16:15:24 461.700427 29.2729 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384.701169 23.5566 BFGS: 472 16:15:24 383.371307 23.4704 BFGS: 473 16:15:24 382.045544 23.3849 BFGS: 474 16:15:24 380.723958 23.2999 BFGS: 475 16:15:24 379.406599 23.2150 BFGS: 476 16:15:24 378.093443 23.1305 BFGS: 477 16:15:24 376.784292 23.0463 BFGS: 478 16:15:24 375.479197 22.9622 BFGS: 479 16:15:24 374.178203 22.8782 BFGS: 480 16:15:24 372.881354 22.7944 BFGS: 481 16:15:24 371.588661 22.7112 BFGS: 482 16:15:24 370.300231 22.6282 BFGS: 483 16:15:24 369.016057 22.5456 BFGS: 484 16:15:24 367.736122 22.4635 BFGS: 485 16:15:24 366.460516 22.3816 BFGS: 486 16:15:24 365.189240 22.2999 BFGS: 487 16:15:24 363.922302 22.2183 BFGS: 488 16:15:24 362.659710 22.1370 BFGS: 489 16:15:24 361.401478 22.0558 BFGS: 490 16:15:24 360.147618 21.9748 BFGS: 491 16:15:24 358.898138 21.8941 BFGS: 492 16:15:24 357.652845 21.8137 BFGS: 493 16:15:24 356.411733 21.7334 BFGS: 494 16:15:24 355.174864 21.6533 BFGS: 495 16:15:24 353.942292 21.5734 BFGS: 496 16:15:24 352.714060 21.4936 BFGS: 497 16:15:24 351.490210 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142.699393 8.1796 BFGS: 762 16:15:26 142.164312 8.1463 BFGS: 763 16:15:26 141.631112 8.1130 BFGS: 764 16:15:26 141.099797 8.0799 BFGS: 765 16:15:26 140.570368 8.0468 BFGS: 766 16:15:26 140.042828 8.0139 BFGS: 767 16:15:26 139.517178 7.9810 BFGS: 768 16:15:26 138.993419 7.9483 BFGS: 769 16:15:26 138.471551 7.9157 BFGS: 770 16:15:26 137.951556 7.8836 BFGS: 771 16:15:26 137.433461 7.8517 BFGS: 772 16:15:26 136.917269 7.8198 BFGS: 773 16:15:26 136.402985 7.7880 BFGS: 774 16:15:26 135.890612 7.7563 BFGS: 775 16:15:26 135.380148 7.7247 BFGS: 776 16:15:26 134.871596 7.6933 BFGS: 777 16:15:26 134.364954 7.6619 BFGS: 778 16:15:26 133.860219 7.6306 BFGS: 779 16:15:26 133.357391 7.5994 BFGS: 780 16:15:26 132.856465 7.5684 BFGS: 781 16:15:26 132.357439 7.5374 BFGS: 782 16:15:26 131.860309 7.5065 BFGS: 783 16:15:26 131.365071 7.4758 BFGS: 784 16:15:26 130.871721 7.4451 BFGS: 785 16:15:26 130.380255 7.4145 BFGS: 786 16:15:26 129.890667 7.3841 BFGS: 787 16:15:26 129.402953 7.3537 BFGS: 788 16:15:26 128.917079 7.3239 BFGS: 789 16:15:26 128.432984 7.2943 BFGS: 790 16:15:26 127.950559 7.2647 BFGS: 791 16:15:26 127.469767 7.2352 BFGS: 792 16:15:26 126.990613 7.2058 BFGS: 793 16:15:26 126.513077 7.1766 BFGS: 794 16:15:26 126.037340 7.1474 BFGS: 795 16:15:26 125.563408 7.1184 BFGS: 796 16:15:26 125.091267 7.0895 BFGS: 797 16:15:26 124.620904 7.0606 BFGS: 798 16:15:26 124.152307 7.0319 BFGS: 799 16:15:26 123.685465 7.0032 BFGS: 800 16:15:26 123.220367 6.9746 BFGS: 801 16:15:26 122.757005 6.9461 BFGS: 802 16:15:26 122.295357 6.9177 BFGS: 803 16:15:26 121.835404 6.8894 BFGS: 804 16:15:26 121.377133 6.8612 BFGS: 805 16:15:26 120.920521 6.8331 BFGS: 806 16:15:26 120.465590 6.8052 BFGS: 807 16:15:26 120.012431 6.7774 BFGS: 808 16:15:26 119.561025 6.7497 BFGS: 809 16:15:26 119.111357 6.7221 BFGS: 810 16:15:26 118.663411 6.6945 BFGS: 811 16:15:26 118.217172 6.6671 BFGS: 812 16:15:26 117.772627 6.6397 BFGS: 813 16:15:26 117.329762 6.6124 BFGS: 814 16:15:26 116.888565 6.5852 BFGS: 815 16:15:26 116.449024 6.5581 BFGS: 816 16:15:26 116.011126 6.5311 BFGS: 817 16:15:26 115.574861 6.5041 BFGS: 818 16:15:26 115.140218 6.4772 BFGS: 819 16:15:26 114.707186 6.4504 BFGS: 820 16:15:26 114.275755 6.4237 BFGS: 821 16:15:26 113.845915 6.3971 BFGS: 822 16:15:26 113.417657 6.3705 BFGS: 823 16:15:26 112.990971 6.3440 BFGS: 824 16:15:26 112.565849 6.3176 BFGS: 825 16:15:26 112.142281 6.2913 BFGS: 826 16:15:26 111.720260 6.2650 BFGS: 827 16:15:26 111.299775 6.2388 BFGS: 828 16:15:26 110.880821 6.2127 BFGS: 829 16:15:26 110.463387 6.1867 BFGS: 830 16:15:26 110.047468 6.1607 BFGS: 831 16:15:26 109.633054 6.1348 BFGS: 832 16:15:26 109.220139 6.1090 BFGS: 833 16:15:26 108.808715 6.0832 BFGS: 834 16:15:26 108.398775 6.0575 BFGS: 835 16:15:26 107.990313 6.0318 BFGS: 836 16:15:26 107.583321 6.0063 BFGS: 837 16:15:26 107.177792 5.9808 BFGS: 838 16:15:26 106.773718 5.9557 BFGS: 839 16:15:26 106.371118 5.9313 BFGS: 840 16:15:26 105.970053 5.9069 BFGS: 841 16:15:26 105.570509 5.8826 BFGS: 842 16:15:26 105.172473 5.8584 BFGS: 843 16:15:26 104.775934 5.8342 BFGS: 844 16:15:26 104.380880 5.8101 BFGS: 845 16:15:26 103.987303 5.7861 BFGS: 846 16:15:26 103.595191 5.7621 BFGS: 847 16:15:26 103.204509 5.7383 BFGS: 848 16:15:26 102.815125 5.7145 BFGS: 849 16:15:26 102.427040 5.6908 BFGS: 850 16:15:26 102.040255 5.6672 BFGS: 851 16:15:26 101.654772 5.6436 BFGS: 852 16:15:26 101.270586 5.6202 BFGS: 853 16:15:26 100.887653 5.5972 BFGS: 854 16:15:26 100.505945 5.5743 BFGS: 855 16:15:26 100.125454 5.5515 BFGS: 856 16:15:26 99.746131 5.5289 BFGS: 857 16:15:26 99.367961 5.5063 BFGS: 858 16:15:26 98.990949 5.4838 BFGS: 859 16:15:26 98.615100 5.4614 BFGS: 860 16:15:26 98.240417 5.4389 BFGS: 861 16:15:26 97.866904 5.4165 BFGS: 862 16:15:26 97.494564 5.3942 BFGS: 863 16:15:26 97.123399 5.3719 BFGS: 864 16:15:26 96.753410 5.3497 BFGS: 865 16:15:26 96.384599 5.3275 BFGS: 866 16:15:26 96.016967 5.3054 BFGS: 867 16:15:26 95.650516 5.2833 BFGS: 868 16:15:26 95.285246 5.2612 BFGS: 869 16:15:26 94.921158 5.2392 BFGS: 870 16:15:26 94.558252 5.2173 BFGS: 871 16:15:26 94.196529 5.1953 BFGS: 872 16:15:26 93.835989 5.1735 BFGS: 873 16:15:26 93.476631 5.1517 BFGS: 874 16:15:26 93.118457 5.1299 BFGS: 875 16:15:26 92.761465 5.1081 BFGS: 876 16:15:26 92.405657 5.0865 BFGS: 877 16:15:26 92.051032 5.0648 BFGS: 878 16:15:26 91.697589 5.0432 BFGS: 879 16:15:26 91.345330 5.0217 BFGS: 880 16:15:26 90.994253 5.0002 BFGS: 881 16:15:26 90.644358 4.9787 BFGS: 882 16:15:26 90.295647 4.9573 BFGS: 883 16:15:26 89.948118 4.9359 BFGS: 884 16:15:26 89.601771 4.9146 BFGS: 885 16:15:26 89.256607 4.8933 BFGS: 886 16:15:26 88.912625 4.8720 BFGS: 887 16:15:26 88.569826 4.8508 BFGS: 888 16:15:26 88.228209 4.8297 BFGS: 889 16:15:26 87.887775 4.8086 BFGS: 890 16:15:26 87.548524 4.7875 BFGS: 891 16:15:26 87.210456 4.7665 BFGS: 892 16:15:26 86.873572 4.7455 BFGS: 893 16:15:26 86.537871 4.7245 BFGS: 894 16:15:26 86.203354 4.7036 BFGS: 895 16:15:26 85.870021 4.6828 BFGS: 896 16:15:26 85.537870 4.6620 BFGS: 897 16:15:26 85.206885 4.6421 BFGS: 898 16:15:26 84.877027 4.6223 BFGS: 899 16:15:26 84.548300 4.6025 BFGS: 900 16:15:26 84.220690 4.5827 BFGS: 901 16:15:26 83.894188 4.5630 BFGS: 902 16:15:26 83.568801 4.5433 BFGS: 903 16:15:26 83.244535 4.5236 BFGS: 904 16:15:26 82.921397 4.5040 BFGS: 905 16:15:26 82.599392 4.4845 BFGS: 906 16:15:26 82.278524 4.4650 BFGS: 907 16:15:26 81.958777 4.4460 BFGS: 908 16:15:26 81.640186 4.4270 BFGS: 909 16:15:26 81.322755 4.4081 BFGS: 910 16:15:26 81.006485 4.3893 BFGS: 911 16:15:26 80.691379 4.3705 BFGS: 912 16:15:26 80.377438 4.3517 BFGS: 913 16:15:26 80.064664 4.3330 BFGS: 914 16:15:26 79.753051 4.3149 BFGS: 915 16:15:26 79.442640 4.2970 BFGS: 916 16:15:26 79.133444 4.2791 BFGS: 917 16:15:26 78.825458 4.2613 BFGS: 918 16:15:26 78.518681 4.2436 BFGS: 919 16:15:26 78.213110 4.2258 BFGS: 920 16:15:26 77.908744 4.2082 BFGS: 921 16:15:26 77.605579 4.1906 BFGS: 922 16:15:26 77.303614 4.1730 BFGS: 923 16:15:26 77.002846 4.1556 BFGS: 924 16:15:26 76.703283 4.1385 BFGS: 925 16:15:26 76.404996 4.1214 BFGS: 926 16:15:26 76.107973 4.1044 BFGS: 927 16:15:26 75.812204 4.0874 BFGS: 928 16:15:26 75.517681 4.0705 BFGS: 929 16:15:26 75.224394 4.0537 BFGS: 930 16:15:26 74.932346 4.0369 BFGS: 931 16:15:26 74.641675 4.0203 BFGS: 932 16:15:26 74.352326 4.0041 BFGS: 933 16:15:26 74.064282 3.9882 BFGS: 934 16:15:26 73.777530 3.9723 BFGS: 935 16:15:26 73.492051 3.9566 BFGS: 936 16:15:26 73.207813 3.9417 BFGS: 937 16:15:26 72.924783 3.9271 BFGS: 938 16:15:26 72.642960 3.9132 BFGS: 939 16:15:26 72.362373 3.8993 BFGS: 940 16:15:26 72.083008 3.8855 BFGS: 941 16:15:26 71.804852 3.8717 BFGS: 942 16:15:26 71.527892 3.8579 BFGS: 943 16:15:26 71.252117 3.8443 BFGS: 944 16:15:26 70.977527 3.8308 BFGS: 945 16:15:26 70.704116 3.8173 BFGS: 946 16:15:26 70.431873 3.8039 BFGS: 947 16:15:26 70.160759 3.7906 BFGS: 948 16:15:26 69.890666 3.7775 BFGS: 949 16:15:26 69.621595 3.7644 BFGS: 950 16:15:27 69.353552 3.7514 BFGS: 951 16:15:27 69.086542 3.7384 BFGS: 952 16:15:27 68.820570 3.7255 BFGS: 953 16:15:27 68.555636 3.7126 BFGS: 954 16:15:27 68.291744 3.6997 BFGS: 955 16:15:27 68.028891 3.6869 BFGS: 956 16:15:27 67.767079 3.6741 BFGS: 957 16:15:27 67.506305 3.6614 BFGS: 958 16:15:27 67.246566 3.6487 BFGS: 959 16:15:27 66.987861 3.6360 BFGS: 960 16:15:27 66.730185 3.6234 BFGS: 961 16:15:27 66.473535 3.6108 BFGS: 962 16:15:27 66.217906 3.5983 BFGS: 963 16:15:27 65.963295 3.5857 BFGS: 964 16:15:27 65.709697 3.5733 BFGS: 965 16:15:27 65.457106 3.5608 BFGS: 966 16:15:27 65.205517 3.5484 BFGS: 967 16:15:27 64.954926 3.5360 BFGS: 968 16:15:27 64.705326 3.5237 BFGS: 969 16:15:27 64.456714 3.5114 BFGS: 970 16:15:27 64.209082 3.4991 BFGS: 971 16:15:27 63.962427 3.4869 BFGS: 972 16:15:27 63.716716 3.4747 BFGS: 973 16:15:27 63.471944 3.4625 BFGS: 974 16:15:27 63.228107 3.4503 BFGS: 975 16:15:27 62.985205 3.4382 BFGS: 976 16:15:27 62.743233 3.4261 BFGS: 977 16:15:27 62.502190 3.4141 BFGS: 978 16:15:27 62.262071 3.4020 BFGS: 979 16:15:27 62.022873 3.3900 BFGS: 980 16:15:27 61.784594 3.3780 BFGS: 981 16:15:27 61.547229 3.3661 BFGS: 982 16:15:27 61.310775 3.3541 BFGS: 983 16:15:27 61.075227 3.3422 BFGS: 984 16:15:27 60.840583 3.3303 BFGS: 985 16:15:27 60.606838 3.3185 BFGS: 986 16:15:27 60.373989 3.3067 BFGS: 987 16:15:27 60.142031 3.2949 BFGS: 988 16:15:27 59.910945 3.2831 BFGS: 989 16:15:27 59.680721 3.2714 BFGS: 990 16:15:27 59.451340 3.2602 BFGS: 991 16:15:27 59.222849 3.2491 BFGS: 992 16:15:27 58.995260 3.2380 BFGS: 993 16:15:27 58.768540 3.2270 BFGS: 994 16:15:27 58.542660 3.2160 BFGS: 995 16:15:27 58.317606 3.2050 BFGS: 996 16:15:27 58.093367 3.1941 BFGS: 997 16:15:27 57.869929 3.1831 BFGS: 998 16:15:27 57.647283 3.1722 BFGS: 999 16:15:27 57.425420 3.1613 BFGS: 1000 16:15:27 57.204330 3.1504 BFGS: 1001 16:15:27 56.983981 3.1401 BFGS: 1002 16:15:27 56.764377 3.1298 BFGS: 1003 16:15:27 56.545514 3.1196 BFGS: 1004 16:15:27 56.327384 3.1093 BFGS: 1005 16:15:27 56.109984 3.0991 BFGS: 1006 16:15:27 55.893307 3.0889 BFGS: 1007 16:15:27 55.677349 3.0787 BFGS: 1008 16:15:27 55.462105 3.0685 BFGS: 1009 16:15:27 55.247571 3.0583 BFGS: 1010 16:15:27 55.033743 3.0482 BFGS: 1011 16:15:27 54.820616 3.0380 BFGS: 1012 16:15:27 54.608186 3.0279 BFGS: 1013 16:15:27 54.396449 3.0178 BFGS: 1014 16:15:27 54.185402 3.0077 BFGS: 1015 16:15:27 53.975042 2.9976 BFGS: 1016 16:15:27 53.765360 2.9875 BFGS: 1017 16:15:27 53.556338 2.9775 BFGS: 1018 16:15:27 53.347974 2.9674 BFGS: 1019 16:15:27 53.140264 2.9574 BFGS: 1020 16:15:27 52.933201 2.9474 BFGS: 1021 16:15:27 52.726785 2.9374 BFGS: 1022 16:15:27 52.521045 2.9273 BFGS: 1023 16:15:27 52.315972 2.9174 BFGS: 1024 16:15:27 52.111557 2.9074 BFGS: 1025 16:15:27 51.907780 2.8975 BFGS: 1026 16:15:27 51.704627 2.8876 BFGS: 1027 16:15:27 51.502092 2.8777 BFGS: 1028 16:15:27 51.300169 2.8679 BFGS: 1029 16:15:27 51.098853 2.8580 BFGS: 1030 16:15:27 50.898140 2.8482 BFGS: 1031 16:15:27 50.698025 2.8383 BFGS: 1032 16:15:27 50.498504 2.8285 BFGS: 1033 16:15:27 50.299574 2.8187 BFGS: 1034 16:15:27 50.101231 2.8089 BFGS: 1035 16:15:27 49.903472 2.7991 BFGS: 1036 16:15:27 49.706295 2.7893 BFGS: 1037 16:15:27 49.509661 2.7796 BFGS: 1038 16:15:27 49.313442 2.7700 BFGS: 1039 16:15:27 49.117642 2.7603 BFGS: 1040 16:15:27 48.922269 2.7506 BFGS: 1041 16:15:27 48.727330 2.7410 BFGS: 1042 16:15:27 48.532830 2.7313 BFGS: 1043 16:15:27 48.338776 2.7217 BFGS: 1044 16:15:27 48.145172 2.7120 BFGS: 1045 16:15:27 47.952002 2.7028 BFGS: 1046 16:15:27 47.759183 2.6936 BFGS: 1047 16:15:27 47.566706 2.6845 BFGS: 1048 16:15:27 47.374584 2.6754 BFGS: 1049 16:15:27 47.182827 2.6663 BFGS: 1050 16:15:27 46.991444 2.6572 BFGS: 1051 16:15:27 46.800426 2.6481 BFGS: 1052 16:15:27 46.609789 2.6390 BFGS: 1053 16:15:27 46.419538 2.6299 BFGS: 1054 16:15:27 46.229681 2.6207 BFGS: 1055 16:15:27 46.040223 2.6116 BFGS: 1056 16:15:27 45.851168 2.6025 BFGS: 1057 16:15:27 45.662522 2.5934 BFGS: 1058 16:15:27 45.474288 2.5843 BFGS: 1059 16:15:27 45.286472 2.5752 BFGS: 1060 16:15:27 45.099076 2.5661 BFGS: 1061 16:15:27 44.912104 2.5570 BFGS: 1062 16:15:27 44.725559 2.5479 BFGS: 1063 16:15:27 44.539437 2.5388 BFGS: 1064 16:15:27 44.353695 2.5298 BFGS: 1065 16:15:27 44.168341 2.5209 BFGS: 1066 16:15:27 43.983383 2.5120 BFGS: 1067 16:15:27 43.798829 2.5031 BFGS: 1068 16:15:27 43.614688 2.4941 BFGS: 1069 16:15:27 43.430965 2.4852 BFGS: 1070 16:15:27 43.247667 2.4763 BFGS: 1071 16:15:27 43.064799 2.4674 BFGS: 1072 16:15:27 42.882368 2.4585 BFGS: 1073 16:15:27 42.700376 2.4496 BFGS: 1074 16:15:27 42.518830 2.4407 BFGS: 1075 16:15:27 42.337732 2.4317 BFGS: 1076 16:15:27 42.157088 2.4228 BFGS: 1077 16:15:27 41.976899 2.4139 BFGS: 1078 16:15:27 41.797170 2.4050 BFGS: 1079 16:15:27 41.617903 2.3962 BFGS: 1080 16:15:27 41.439102 2.3873 BFGS: 1081 16:15:27 41.260769 2.3784 BFGS: 1082 16:15:27 41.082906 2.3695 BFGS: 1083 16:15:27 40.905516 2.3606 BFGS: 1084 16:15:27 40.728601 2.3517 BFGS: 1085 16:15:27 40.552164 2.3428 BFGS: 1086 16:15:27 40.376206 2.3340 BFGS: 1087 16:15:27 40.200729 2.3251 BFGS: 1088 16:15:27 40.025735 2.3162 BFGS: 1089 16:15:27 39.851226 2.3073 BFGS: 1090 16:15:27 39.677204 2.2985 BFGS: 1091 16:15:27 39.503671 2.2896 BFGS: 1092 16:15:27 39.330628 2.2807 BFGS: 1093 16:15:27 39.158076 2.2719 BFGS: 1094 16:15:27 38.986019 2.2630 BFGS: 1095 16:15:27 38.814456 2.2542 BFGS: 1096 16:15:27 38.643390 2.2453 BFGS: 1097 16:15:27 38.472823 2.2365 BFGS: 1098 16:15:27 38.302756 2.2276 BFGS: 1099 16:15:27 38.133191 2.2188 BFGS: 1100 16:15:27 37.964129 2.2099 BFGS: 1101 16:15:27 37.795573 2.2011 BFGS: 1102 16:15:27 37.627523 2.1922 BFGS: 1103 16:15:27 37.459981 2.1834 BFGS: 1104 16:15:27 37.292950 2.1745 BFGS: 1105 16:15:27 37.126431 2.1657 BFGS: 1106 16:15:27 36.960426 2.1569 BFGS: 1107 16:15:27 36.794936 2.1480 BFGS: 1108 16:15:27 36.629964 2.1392 BFGS: 1109 16:15:27 36.465511 2.1304 BFGS: 1110 16:15:27 36.301579 2.1215 BFGS: 1111 16:15:27 36.138103 2.1130 BFGS: 1112 16:15:27 35.975101 2.1044 BFGS: 1113 16:15:27 35.812570 2.0959 BFGS: 1114 16:15:27 35.650497 2.0873 BFGS: 1115 16:15:27 35.488873 2.0788 BFGS: 1116 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0.6755 BFGS: 1526 16:15:29 2.726454 0.6725 BFGS: 1527 16:15:29 2.700002 0.6694 BFGS: 1528 16:15:29 2.673699 0.6664 BFGS: 1529 16:15:29 2.647544 0.6633 BFGS: 1530 16:15:29 2.621540 0.6601 BFGS: 1531 16:15:29 2.595688 0.6570 BFGS: 1532 16:15:29 2.569989 0.6538 BFGS: 1533 16:15:29 2.544444 0.6506 BFGS: 1534 16:15:29 2.519055 0.6473 BFGS: 1535 16:15:29 2.493822 0.6440 BFGS: 1536 16:15:29 2.468748 0.6407 BFGS: 1537 16:15:29 2.443832 0.6373 BFGS: 1538 16:15:29 2.419077 0.6339 BFGS: 1539 16:15:29 2.394484 0.6305 BFGS: 1540 16:15:29 2.370054 0.6270 BFGS: 1541 16:15:29 2.345787 0.6235 BFGS: 1542 16:15:29 2.321686 0.6200 BFGS: 1543 16:15:29 2.297751 0.6164 BFGS: 1544 16:15:29 2.273983 0.6127 BFGS: 1545 16:15:29 2.250383 0.6091 BFGS: 1546 16:15:29 2.226953 0.6054 BFGS: 1547 16:15:29 2.203694 0.6016 BFGS: 1548 16:15:29 2.180606 0.5978 BFGS: 1549 16:15:29 2.157690 0.5940 BFGS: 1550 16:15:29 2.134948 0.5901 BFGS: 1551 16:15:29 2.112381 0.5862 BFGS: 1552 16:15:29 2.089989 0.5823 BFGS: 1553 16:15:29 2.067774 0.5813 BFGS: 1554 16:15:29 2.045736 0.5826 BFGS: 1555 16:15:29 2.023877 0.5840 BFGS: 1556 16:15:29 2.002197 0.5853 BFGS: 1557 16:15:29 1.980697 0.5865 BFGS: 1558 16:15:29 1.959378 0.5877 BFGS: 1559 16:15:29 1.938241 0.5889 BFGS: 1560 16:15:29 1.917278 0.5886 BFGS: 1561 16:15:29 1.896478 0.5875 BFGS: 1562 16:15:29 1.875852 0.5863 BFGS: 1563 16:15:29 1.855397 0.5851 BFGS: 1564 16:15:29 1.835113 0.5839 BFGS: 1565 16:15:29 1.814999 0.5827 BFGS: 1566 16:15:29 1.795055 0.5814 BFGS: 1567 16:15:29 1.775280 0.5801 BFGS: 1568 16:15:29 1.755673 0.5788 BFGS: 1569 16:15:29 1.736233 0.5774 BFGS: 1570 16:15:29 1.716960 0.5760 BFGS: 1571 16:15:29 1.697853 0.5746 BFGS: 1572 16:15:29 1.678897 0.5731 BFGS: 1573 16:15:29 1.660054 0.5716 BFGS: 1574 16:15:29 1.641325 0.5699 BFGS: 1575 16:15:29 1.622708 0.5682 BFGS: 1576 16:15:29 1.604201 0.5664 BFGS: 1577 16:15:29 1.585803 0.5645 BFGS: 1578 16:15:29 1.567512 0.5625 BFGS: 1579 16:15:29 1.549327 0.5604 BFGS: 1580 16:15:29 1.531248 0.5583 BFGS: 1581 16:15:29 1.513272 0.5561 BFGS: 1582 16:15:29 1.495399 0.5538 BFGS: 1583 16:15:29 1.477629 0.5515 BFGS: 1584 16:15:29 1.459959 0.5491 BFGS: 1585 16:15:29 1.442391 0.5467 BFGS: 1586 16:15:29 1.424922 0.5441 BFGS: 1587 16:15:29 1.407552 0.5416 BFGS: 1588 16:15:29 1.390282 0.5391 BFGS: 1589 16:15:29 1.373110 0.5419 BFGS: 1590 16:15:29 1.356036 0.5448 BFGS: 1591 16:15:29 1.339060 0.5476 BFGS: 1592 16:15:29 1.322181 0.5506 BFGS: 1593 16:15:29 1.305400 0.5535 BFGS: 1594 16:15:29 1.288716 0.5565 BFGS: 1595 16:15:29 1.272130 0.5595 BFGS: 1596 16:15:29 1.255640 0.5625 BFGS: 1597 16:15:29 1.239248 0.5656 BFGS: 1598 16:15:29 1.222952 0.5686 BFGS: 1599 16:15:29 1.206754 0.5717 BFGS: 1600 16:15:29 1.190653 0.5748 BFGS: 1601 16:15:29 1.174649 0.5779 BFGS: 1602 16:15:29 1.158742 0.5810 BFGS: 1603 16:15:29 1.142934 0.5841 BFGS: 1604 16:15:29 1.127223 0.5872 BFGS: 1605 16:15:29 1.111610 0.5904 BFGS: 1606 16:15:29 1.096096 0.5935 BFGS: 1607 16:15:30 1.080680 0.5965 BFGS: 1608 16:15:30 1.065363 0.5996 BFGS: 1609 16:15:30 1.050146 0.6027 BFGS: 1610 16:15:30 1.035028 0.6058 BFGS: 1611 16:15:30 1.020011 0.6088 BFGS: 1612 16:15:30 1.005094 0.6118 BFGS: 1613 16:15:30 0.990277 0.6148 BFGS: 1614 16:15:30 0.975562 0.6178 BFGS: 1615 16:15:30 0.960949 0.6207 BFGS: 1616 16:15:30 0.946439 0.6236 BFGS: 1617 16:15:30 0.932031 0.6265 BFGS: 1618 16:15:30 0.917726 0.6293 BFGS: 1619 16:15:30 0.903525 0.6321 BFGS: 1620 16:15:30 0.889429 0.6349 BFGS: 1621 16:15:30 0.875438 0.6376 BFGS: 1622 16:15:30 0.861552 0.6403 BFGS: 1623 16:15:30 0.847774 0.6416 BFGS: 1624 16:15:30 0.834114 0.6407 BFGS: 1625 16:15:30 0.820576 0.6398 BFGS: 1626 16:15:30 0.807161 0.6388 BFGS: 1627 16:15:30 0.793870 0.6378 BFGS: 1628 16:15:30 0.780704 0.6366 BFGS: 1629 16:15:30 0.767663 0.6354 BFGS: 1630 16:15:30 0.754749 0.6342 BFGS: 1631 16:15:30 0.741962 0.6328 BFGS: 1632 16:15:30 0.729303 0.6314 BFGS: 1633 16:15:30 0.716773 0.6299 BFGS: 1634 16:15:30 0.704374 0.6282 BFGS: 1635 16:15:30 0.692105 0.6266 BFGS: 1636 16:15:30 0.679968 0.6248 BFGS: 1637 16:15:30 0.667965 0.6229 BFGS: 1638 16:15:30 0.656095 0.6209 BFGS: 1639 16:15:30 0.644360 0.6189 BFGS: 1640 16:15:30 0.632761 0.6167 BFGS: 1641 16:15:30 0.621299 0.6145 BFGS: 1642 16:15:30 0.609973 0.6107 BFGS: 1643 16:15:30 0.598773 0.6049 BFGS: 1644 16:15:30 0.587699 0.5990 BFGS: 1645 16:15:30 0.576753 0.5931 BFGS: 1646 16:15:30 0.565935 0.5870 BFGS: 1647 16:15:30 0.555245 0.5809 BFGS: 1648 16:15:30 0.544684 0.5746 BFGS: 1649 16:15:30 0.534252 0.5683 BFGS: 1650 16:15:30 0.523951 0.5619 BFGS: 1651 16:15:30 0.513780 0.5554 BFGS: 1652 16:15:30 0.503740 0.5488 BFGS: 1653 16:15:30 0.493832 0.5421 BFGS: 1654 16:15:30 0.484056 0.5353 BFGS: 1655 16:15:30 0.474414 0.5285 BFGS: 1656 16:15:30 0.464905 0.5215 BFGS: 1657 16:15:30 0.455531 0.5144 BFGS: 1658 16:15:30 0.446292 0.5073 BFGS: 1659 16:15:30 0.437188 0.5000 BFGS: 1660 16:15:30 0.428222 0.4927 BFGS: 1661 16:15:30 0.419393 0.4852 BFGS: 1662 16:15:30 0.410702 0.4777 BFGS: 1663 16:15:30 0.402150 0.4700 BFGS: 1664 16:15:30 0.393737 0.4623 BFGS: 1665 16:15:30 0.385465 0.4545 BFGS: 1666 16:15:30 0.377334 0.4465 BFGS: 1667 16:15:30 0.369345 0.4385 BFGS: 1668 16:15:30 0.361499 0.4304 BFGS: 1669 16:15:30 0.353796 0.4221 BFGS: 1670 16:15:30 0.346237 0.4138 BFGS: 1671 16:15:30 0.338812 0.4054 BFGS: 1672 16:15:30 0.331518 0.3968 BFGS: 1673 16:15:30 0.324356 0.3882 BFGS: 1674 16:15:30 0.317328 0.3795 BFGS: 1675 16:15:30 0.310433 0.3707 BFGS: 1676 16:15:30 0.303663 0.3612 BFGS: 1677 16:15:30 0.296998 0.3513 BFGS: 1678 16:15:30 0.290444 0.3415 BFGS: 1679 16:15:30 0.284000 0.3316 BFGS: 1680 16:15:30 0.277667 0.3217 BFGS: 1681 16:15:30 0.271443 0.3118 BFGS: 1682 16:15:30 0.265329 0.3019 BFGS: 1683 16:15:30 0.259324 0.2920 BFGS: 1684 16:15:30 0.253429 0.2822 BFGS: 1685 16:15:30 0.247643 0.2723 BFGS: 1686 16:15:30 0.241967 0.2625 BFGS: 1687 16:15:30 0.236431 0.2527 BFGS: 1688 16:15:30 0.231073 0.2429 BFGS: 1689 16:15:30 0.225887 0.2330 BFGS: 1690 16:15:30 0.220870 0.2231 BFGS: 1691 16:15:30 0.216016 0.2133 BFGS: 1692 16:15:30 0.211323 0.2034 BFGS: 1693 16:15:30 0.206786 0.1935 BFGS: 1694 16:15:30 0.202402 0.1884 BFGS: 1695 16:15:30 0.198167 0.1850 BFGS: 1696 16:15:30 0.194078 0.1817 BFGS: 1697 16:15:30 0.190131 0.1783 BFGS: 1698 16:15:30 0.186323 0.1750 BFGS: 1699 16:15:30 0.182651 0.1718 BFGS: 1700 16:15:30 0.179110 0.1686 BFGS: 1701 16:15:30 0.175698 0.1654 BFGS: 1702 16:15:30 0.172412 0.1624 BFGS: 1703 16:15:30 0.169249 0.1595 BFGS: 1704 16:15:30 0.166204 0.1567 BFGS: 1705 16:15:30 0.163276 0.1541 BFGS: 1706 16:15:30 0.160459 0.1527 BFGS: 1707 16:15:30 0.157751 0.1552 BFGS: 1708 16:15:30 0.155149 0.1577 BFGS: 1709 16:15:30 0.152648 0.1599 BFGS: 1710 16:15:30 0.150241 0.1621 BFGS: 1711 16:15:30 0.147918 0.1641 BFGS: 1712 16:15:30 0.145677 0.1660 BFGS: 1713 16:15:30 0.143515 0.1678 BFGS: 1714 16:15:30 0.141429 0.1694 BFGS: 1715 16:15:30 0.139416 0.1709 BFGS: 1716 16:15:30 0.137471 0.1723 BFGS: 1717 16:15:30 0.135592 0.1735 BFGS: 1718 16:15:30 0.133773 0.1746 BFGS: 1719 16:15:30 0.132012 0.1755 BFGS: 1720 16:15:30 0.130303 0.1762 BFGS: 1721 16:15:30 0.128641 0.1768 BFGS: 1722 16:15:30 0.127022 0.1796 BFGS: 1723 16:15:30 0.125441 0.1883 BFGS: 1724 16:15:30 0.123891 0.1969 BFGS: 1725 16:15:30 0.122368 0.2054 BFGS: 1726 16:15:30 0.120856 0.2137 BFGS: 1727 16:15:30 0.119356 0.2219 BFGS: 1728 16:15:30 0.117864 0.2299 BFGS: 1729 16:15:30 0.116376 0.2377 BFGS: 1730 16:15:30 0.114888 0.2453 BFGS: 1731 16:15:30 0.113396 0.2527 BFGS: 1732 16:15:30 0.111898 0.2599 BFGS: 1733 16:15:30 0.110389 0.2668 BFGS: 1734 16:15:30 0.108867 0.2735 BFGS: 1735 16:15:30 0.107328 0.2799 BFGS: 1736 16:15:30 0.105771 0.2860 BFGS: 1737 16:15:30 0.104193 0.2919 BFGS: 1738 16:15:30 0.102591 0.2975 BFGS: 1739 16:15:30 0.100963 0.3028 BFGS: 1740 16:15:30 0.099307 0.3078 BFGS: 1741 16:15:30 0.097622 0.3125 BFGS: 1742 16:15:30 0.095906 0.3170 BFGS: 1743 16:15:30 0.094157 0.3211 BFGS: 1744 16:15:30 0.092375 0.3249 BFGS: 1745 16:15:30 0.090558 0.3284 BFGS: 1746 16:15:30 0.088705 0.3316 BFGS: 1747 16:15:30 0.086810 0.3318 BFGS: 1748 16:15:30 0.084895 0.3299 BFGS: 1749 16:15:30 0.082991 0.3279 BFGS: 1750 16:15:30 0.081097 0.3259 BFGS: 1751 16:15:30 0.079208 0.3225 BFGS: 1752 16:15:30 0.077347 0.3187 BFGS: 1753 16:15:30 0.075524 0.3149 BFGS: 1754 16:15:30 0.073737 0.3111 BFGS: 1755 16:15:30 0.071985 0.3073 BFGS: 1756 16:15:30 0.070264 0.3036 BFGS: 1757 16:15:30 0.068574 0.2999 BFGS: 1758 16:15:30 0.066912 0.2963 BFGS: 1759 16:15:30 0.065278 0.2926 BFGS: 1760 16:15:30 0.063671 0.2890 BFGS: 1761 16:15:30 0.062089 0.2854 BFGS: 1762 16:15:30 0.060532 0.2817 BFGS: 1763 16:15:30 0.058998 0.2781 BFGS: 1764 16:15:30 0.057487 0.2745 BFGS: 1765 16:15:30 0.055999 0.2710 BFGS: 1766 16:15:30 0.054532 0.2674 BFGS: 1767 16:15:30 0.053087 0.2638 BFGS: 1768 16:15:30 0.051662 0.2602 BFGS: 1769 16:15:30 0.050257 0.2567 BFGS: 1770 16:15:30 0.048873 0.2531 BFGS: 1771 16:15:30 0.047508 0.2495 BFGS: 1772 16:15:30 0.046162 0.2460 BFGS: 1773 16:15:30 0.044836 0.2424 BFGS: 1774 16:15:30 0.043528 0.2388 BFGS: 1775 16:15:30 0.042239 0.2353 BFGS: 1776 16:15:30 0.040968 0.2317 BFGS: 1777 16:15:30 0.039715 0.2281 BFGS: 1778 16:15:30 0.038481 0.2245 BFGS: 1779 16:15:30 0.037265 0.2210 BFGS: 1780 16:15:30 0.036067 0.2174 BFGS: 1781 16:15:30 0.034886 0.2138 BFGS: 1782 16:15:30 0.033724 0.2102 BFGS: 1783 16:15:30 0.032579 0.2066 BFGS: 1784 16:15:30 0.031452 0.2030 BFGS: 1785 16:15:30 0.030344 0.1994 BFGS: 1786 16:15:30 0.029252 0.1958 BFGS: 1787 16:15:30 0.028179 0.1922 BFGS: 1788 16:15:30 0.027124 0.1886 BFGS: 1789 16:15:30 0.026087 0.1850 BFGS: 1790 16:15:30 0.025067 0.1814 BFGS: 1791 16:15:30 0.024066 0.1777 BFGS: 1792 16:15:30 0.023083 0.1741 BFGS: 1793 16:15:30 0.022119 0.1704 BFGS: 1794 16:15:30 0.021172 0.1668 BFGS: 1795 16:15:30 0.020245 0.1631 BFGS: 1796 16:15:30 0.019336 0.1595 BFGS: 1797 16:15:30 0.018445 0.1558 BFGS: 1798 16:15:30 0.017574 0.1521 BFGS: 1799 16:15:30 0.016722 0.1485 BFGS: 1800 16:15:30 0.015889 0.1448 BFGS: 1801 16:15:30 0.015075 0.1411 BFGS: 1802 16:15:30 0.014281 0.1374 BFGS: 1803 16:15:30 0.013507 0.1337 BFGS: 1804 16:15:30 0.012753 0.1300 BFGS: 1805 16:15:30 0.012019 0.1262 BFGS: 1806 16:15:30 0.011305 0.1225 BFGS: 1807 16:15:30 0.010611 0.1188 BFGS: 1808 16:15:30 0.009939 0.1151 BFGS: 1809 16:15:30 0.009287 0.1113 BFGS: 1810 16:15:30 0.008656 0.1076 BFGS: 1811 16:15:30 0.008047 0.1038 BFGS: 1812 16:15:30 0.007459 0.1001 BFGS: 1813 16:15:30 0.006893 0.0963 BFGS: 1814 16:15:30 0.006349 0.0925 BFGS: 1815 16:15:30 0.005827 0.0887 BFGS: 1816 16:15:30 0.005327 0.0850 BFGS: 1817 16:15:30 0.004851 0.0812 BFGS: 1818 16:15:30 0.004397 0.0774 BFGS: 1819 16:15:30 0.003966 0.0736 BFGS: 1820 16:15:30 0.003556 0.0698 BFGS: 1821 16:15:30 0.003168 0.0660 BFGS: 1822 16:15:30 0.002802 0.0622 BFGS: 1823 16:15:30 0.002457 0.0583 BFGS: 1824 16:15:30 0.002134 0.0545 BFGS: 1825 16:15:30 0.001833 0.0507 BFGS: 1826 16:15:30 0.001555 0.0468 BFGS: 1827 16:15:30 0.001299 0.0429 BFGS: 1828 16:15:30 0.001065 0.0391 BFGS: 1829 16:15:31 0.000855 0.0352 BFGS: 1830 16:15:31 0.000667 0.0313 BFGS: 1831 16:15:31 0.000503 0.0274 BFGS: 1832 16:15:31 0.000362 0.0235 BFGS: 1833 16:15:31 0.000244 0.0196 BFGS: 1834 16:15:31 0.000150 0.0156 BFGS: 1835 16:15:31 0.000080 0.0117 BFGS: 1836 16:15:31 0.000034 0.0078 BFGS: 1837 16:15:31 0.000008 0.0038 BFGS: 1838 16:15:31 0.000000 0.0000 Minimization converged after 1838 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 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'] basis = [[7.76010296e-02 3.22667409e-31 9.34225963e-02] [9.22398970e-01 0.00000000e+00 9.06577404e-01] [5.77601030e-01 5.00000000e-01 9.34225963e-02] [4.22398970e-01 5.00000000e-01 9.06577404e-01] [6.83374619e-01 3.47487979e-31 8.25090448e-01] [3.16625381e-01 0.00000000e+00 1.74909552e-01] [1.83374619e-01 5.00000000e-01 8.25090448e-01] [8.16625381e-01 5.00000000e-01 1.74909552e-01] [3.41871141e-01 0.00000000e+00 6.31604816e-01] [6.58128859e-01 0.00000000e+00 3.68395184e-01] [8.41871141e-01 5.00000000e-01 6.31604816e-01] [1.58128859e-01 5.00000000e-01 3.68395184e-01] [9.22847529e-01 0.00000000e+00 3.76492245e-01] [7.71524705e-02 2.73026269e-31 6.23507755e-01] [4.22847529e-01 5.00000000e-01 3.76492245e-01] [5.77152471e-01 5.00000000e-01 6.23507755e-01]] cellpar = Cell([[5.006649363362044, -2.4619325679402986e-16, -35.8288050126547], [4.441970069669009e-16, 7.945636491953584, 7.997582611924125e-17], [22.541974634176096, -1.6481114997218599e-15, 0.8721313711732903]]) 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.] [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. 0. 0. 0. 0. 0.] 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