element(s): ['C'] AFLOW prototype label: A_oC16_65_mn Parameter names: ['a', 'b/a', 'c/a', 'z1', 'y2', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['4.883', '1.1391972', '0.87542494', '0.15709997', '0.85013575', '0.6807677'] Parameter values for parameter set 1: ['4.9133', '1.1162152', '1.3733336', '0.10134088', '0.12560938', '0.81864012'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.25 0.25 0.15709997] [0. 0.85013575 0.6807677 ]] spacegroup = 65 cell = [[4.883, 0, 0], [0, 5.5627, 0], [0, 0, 4.2747]] ========================================= Step Time Energy fmax BFGS: 0 16:29:54 1901.855364 267.8819 BFGS: 1 16:29:54 1834.340540 229.2620 BFGS: 2 16:29:54 1807.633213 225.5325 BFGS: 3 16:29:54 1783.624814 219.4855 BFGS: 4 16:29:54 1760.707824 218.5746 BFGS: 5 16:29:54 1736.029620 214.0638 BFGS: 6 16:29:54 1712.014264 210.1197 BFGS: 7 16:29:54 1688.339336 206.1872 BFGS: 8 16:29:54 1665.030883 202.3252 BFGS: 9 16:29:54 1642.073839 198.5273 BFGS: 10 16:29:54 1619.448261 194.7891 BFGS: 11 16:29:54 1597.154521 191.1100 BFGS: 12 16:29:54 1575.178975 187.4916 BFGS: 13 16:29:54 1553.782869 183.9692 BFGS: 14 16:29:54 1533.721884 180.6636 BFGS: 15 16:29:54 1514.965757 177.5746 BFGS: 16 16:29:54 1497.446551 174.6835 BFGS: 17 16:29:54 1481.100697 171.9777 BFGS: 18 16:29:54 1465.864200 169.4470 BFGS: 19 16:29:54 1451.676035 167.0877 BFGS: 20 16:29:54 1438.493906 164.8895 BFGS: 21 16:29:54 1426.247622 162.8356 BFGS: 22 16:29:54 1414.868520 160.9144 BFGS: 23 16:29:54 1404.289776 159.1148 BFGS: 24 16:29:54 1394.446626 157.4266 BFGS: 25 16:29:54 1385.276625 155.8398 BFGS: 26 16:29:54 1376.719861 154.3452 BFGS: 27 16:29:54 1368.719118 152.9342 BFGS: 28 16:29:54 1361.219961 151.5993 BFGS: 29 16:29:54 1354.170641 150.3322 BFGS: 30 16:29:54 1347.522642 149.1256 BFGS: 31 16:29:54 1341.230475 147.9733 BFGS: 32 16:29:54 1335.251879 146.8695 BFGS: 33 16:29:54 1329.546483 145.8080 BFGS: 34 16:29:54 1324.077596 144.7837 BFGS: 35 16:29:54 1318.811952 143.7928 BFGS: 36 16:29:54 1313.719508 142.8305 BFGS: 37 16:29:54 1308.773445 141.8929 BFGS: 38 16:29:54 1303.950167 140.9772 BFGS: 39 16:29:54 1299.229410 140.0822 BFGS: 40 16:29:54 1294.595563 139.2052 BFGS: 41 16:29:54 1290.032059 138.3468 BFGS: 42 16:29:54 1285.528309 137.5053 BFGS: 43 16:29:54 1281.072638 136.6779 BFGS: 44 16:29:54 1276.656312 135.8633 BFGS: 45 16:29:54 1272.273221 135.0617 BFGS: 46 16:29:54 1267.919434 134.2718 BFGS: 47 16:29:54 1263.592081 133.4924 BFGS: 48 16:29:54 1259.288967 132.7228 BFGS: 49 16:29:54 1255.008516 131.9627 BFGS: 50 16:29:54 1250.749643 131.2118 BFGS: 51 16:29:54 1246.511650 130.4698 BFGS: 52 16:29:54 1242.294150 129.7368 BFGS: 53 16:29:54 1238.097015 129.0125 BFGS: 54 16:29:54 1233.920286 128.2971 BFGS: 55 16:29:54 1229.765187 127.5908 BFGS: 56 16:29:54 1225.634947 126.8944 BFGS: 57 16:29:54 1221.529252 126.2087 BFGS: 58 16:29:54 1217.448813 125.5331 BFGS: 59 16:29:54 1213.394299 124.8674 BFGS: 60 16:29:54 1209.366363 124.2115 BFGS: 61 16:29:54 1205.365772 123.5657 BFGS: 62 16:29:54 1201.393323 122.9301 BFGS: 63 16:29:54 1197.450052 122.3046 BFGS: 64 16:29:54 1193.536917 121.6890 BFGS: 65 16:29:54 1189.654748 121.0833 BFGS: 66 16:29:54 1185.804335 120.4877 BFGS: 67 16:29:54 1181.987403 119.9024 BFGS: 68 16:29:54 1178.205051 119.3272 BFGS: 69 16:29:54 1174.457946 118.7621 BFGS: 70 16:29:54 1170.746583 118.2070 BFGS: 71 16:29:54 1167.071382 117.6616 BFGS: 72 16:29:54 1163.432823 117.1258 BFGS: 73 16:29:54 1159.831248 116.5995 BFGS: 74 16:29:54 1156.266945 116.0824 BFGS: 75 16:29:54 1152.740095 115.5743 BFGS: 76 16:29:54 1149.250772 115.0750 BFGS: 77 16:29:54 1145.799225 114.5846 BFGS: 78 16:29:54 1142.386204 114.1036 BFGS: 79 16:29:54 1139.011985 113.6314 BFGS: 80 16:29:54 1135.676086 113.1676 BFGS: 81 16:29:54 1132.377960 112.7119 BFGS: 82 16:29:54 1129.117000 112.2640 BFGS: 83 16:29:54 1125.892744 111.8238 BFGS: 84 16:29:54 1122.704953 111.3910 BFGS: 85 16:29:54 1119.552776 110.9650 BFGS: 86 16:29:54 1116.435355 110.5456 BFGS: 87 16:29:54 1113.351743 110.1325 BFGS: 88 16:29:54 1110.300919 109.7279 BFGS: 89 16:29:54 1107.282393 109.3302 BFGS: 90 16:29:54 1104.295353 108.9379 BFGS: 91 16:29:54 1101.338847 108.5508 BFGS: 92 16:29:54 1098.411814 108.1686 BFGS: 93 16:29:54 1095.513218 107.7912 BFGS: 94 16:29:54 1092.642496 107.4183 BFGS: 95 16:29:54 1089.798581 107.0510 BFGS: 96 16:29:54 1086.980473 106.6880 BFGS: 97 16:29:54 1084.187648 106.3287 BFGS: 98 16:29:54 1081.419056 105.9731 BFGS: 99 16:29:54 1078.673823 105.6208 BFGS: 100 16:29:54 1075.950992 105.2717 BFGS: 101 16:29:54 1073.249752 104.9255 BFGS: 102 16:29:55 1070.569241 104.5821 BFGS: 103 16:29:55 1067.908712 104.2412 BFGS: 104 16:29:55 1065.267388 103.9028 BFGS: 105 16:29:55 1062.644587 103.5667 BFGS: 106 16:29:55 1060.039536 103.2327 BFGS: 107 16:29:55 1057.451964 102.9010 BFGS: 108 16:29:55 1054.881400 102.5715 BFGS: 109 16:29:55 1052.327217 102.2452 BFGS: 110 16:29:55 1049.788577 101.9211 BFGS: 111 16:29:55 1047.265333 101.5988 BFGS: 112 16:29:55 1044.756514 101.2782 BFGS: 113 16:29:55 1042.261992 100.9591 BFGS: 114 16:29:55 1039.780854 100.6416 BFGS: 115 16:29:55 1037.313058 100.3253 BFGS: 116 16:29:55 1034.857715 100.0104 BFGS: 117 16:29:55 1032.414879 99.6965 BFGS: 118 16:29:55 1029.983653 99.3839 BFGS: 119 16:29:55 1027.564211 99.0722 BFGS: 120 16:29:55 1025.155590 98.7624 BFGS: 121 16:29:55 1022.758169 98.4538 BFGS: 122 16:29:55 1020.370744 98.1463 BFGS: 123 16:29:55 1017.993973 97.8393 BFGS: 124 16:29:55 1015.626482 97.5334 BFGS: 125 16:29:55 1013.269268 97.2279 BFGS: 126 16:29:55 1010.920599 96.9235 BFGS: 127 16:29:55 1008.581979 96.6193 BFGS: 128 16:29:55 1006.251030 96.3177 BFGS: 129 16:29:55 1003.930603 96.0163 BFGS: 130 16:29:55 1001.616647 95.7162 BFGS: 131 16:29:55 999.313618 95.4158 BFGS: 132 16:29:55 997.015588 95.1171 BFGS: 133 16:29:55 994.729420 94.8179 BFGS: 134 16:29:55 992.446023 94.5210 BFGS: 135 16:29:55 990.176175 94.2225 BFGS: 136 16:29:55 987.906295 93.9272 BFGS: 137 16:29:55 985.652400 93.6294 BFGS: 138 16:29:55 983.395303 93.3357 BFGS: 139 16:29:55 981.156474 93.0385 BFGS: 140 16:29:55 978.912359 92.7460 BFGS: 141 16:29:55 976.686880 92.4499 BFGS: 142 16:29:55 974.456589 92.1581 BFGS: 143 16:29:55 972.242855 91.8634 BFGS: 144 16:29:55 970.026640 91.5721 BFGS: 145 16:29:55 967.823981 91.2794 BFGS: 146 16:29:55 965.621073 90.9899 BFGS: 147 16:29:55 963.429161 90.6994 BFGS: 148 16:29:55 961.239105 90.4110 BFGS: 149 16:29:55 959.058159 90.1221 BFGS: 150 16:29:55 956.880211 89.8348 BFGS: 151 16:29:55 954.710025 89.5478 BFGS: 152 16:29:55 952.543444 89.2624 BFGS: 153 16:29:55 950.384081 88.9773 BFGS: 154 16:29:55 948.228842 88.6933 BFGS: 155 16:29:55 946.080139 88.4097 BFGS: 156 16:29:55 943.935785 88.1272 BFGS: 157 16:29:55 941.797483 87.8451 BFGS: 158 16:29:55 939.663649 87.5639 BFGS: 159 16:29:55 937.535509 87.2833 BFGS: 160 16:29:55 935.411893 87.0035 BFGS: 161 16:29:55 933.293703 86.7243 BFGS: 162 16:29:55 931.180054 86.4459 BFGS: 163 16:29:55 929.071626 86.1682 BFGS: 164 16:29:55 926.967735 85.8913 BFGS: 165 16:29:55 924.868902 85.6151 BFGS: 166 16:29:55 922.774591 85.3397 BFGS: 167 16:29:55 920.685211 85.0650 BFGS: 168 16:29:55 918.600332 84.7912 BFGS: 169 16:29:55 916.520282 84.5181 BFGS: 170 16:29:55 914.444713 84.2459 BFGS: 171 16:29:55 912.373890 83.9745 BFGS: 172 16:29:55 910.307480 83.7044 BFGS: 173 16:29:55 908.245610 83.4364 BFGS: 174 16:29:55 906.188367 83.1696 BFGS: 175 16:29:55 904.135801 82.9037 BFGS: 176 16:29:55 902.087803 82.6389 BFGS: 177 16:29:55 900.044256 82.3752 BFGS: 178 16:29:55 898.005109 82.1143 BFGS: 179 16:29:55 895.970620 81.8564 BFGS: 180 16:29:55 893.940684 81.6005 BFGS: 181 16:29:55 891.915425 81.3457 BFGS: 182 16:29:55 889.894712 81.0920 BFGS: 183 16:29:55 887.878625 80.8395 BFGS: 184 16:29:55 885.867050 80.5883 BFGS: 185 16:29:55 883.860111 80.3383 BFGS: 186 16:29:55 881.857828 80.0896 BFGS: 187 16:29:55 879.860111 79.8420 BFGS: 188 16:29:55 877.867020 79.5957 BFGS: 189 16:29:55 875.878480 79.3507 BFGS: 190 16:29:55 873.894554 79.1076 BFGS: 191 16:29:55 871.915049 78.8659 BFGS: 192 16:29:55 869.940142 78.6255 BFGS: 193 16:29:55 867.969711 78.3864 BFGS: 194 16:29:55 866.003821 78.1486 BFGS: 195 16:29:55 864.042428 77.9121 BFGS: 196 16:29:55 862.085598 77.6769 BFGS: 197 16:29:55 860.133299 77.4431 BFGS: 198 16:29:55 858.185594 77.2107 BFGS: 199 16:29:55 856.242437 76.9797 BFGS: 200 16:29:55 854.303776 76.7502 BFGS: 201 16:29:55 852.369639 76.5220 BFGS: 202 16:29:55 850.440053 76.2954 BFGS: 203 16:29:55 848.515050 76.0702 BFGS: 204 16:29:55 846.594662 75.8464 BFGS: 205 16:29:55 844.678923 75.6242 BFGS: 206 16:29:56 842.767870 75.4034 BFGS: 207 16:29:56 840.861539 75.1842 BFGS: 208 16:29:56 838.959948 74.9664 BFGS: 209 16:29:56 837.063328 74.7503 BFGS: 210 16:29:56 835.171518 74.5357 BFGS: 211 16:29:56 833.284706 74.3227 BFGS: 212 16:29:56 831.402792 74.1113 BFGS: 213 16:29:56 829.525878 73.9039 BFGS: 214 16:29:56 827.654129 73.6991 BFGS: 215 16:29:56 825.787428 73.4961 BFGS: 216 16:29:56 823.925863 73.2947 BFGS: 217 16:29:56 822.069408 73.0949 BFGS: 218 16:29:56 820.218163 72.8967 BFGS: 219 16:29:56 818.372121 72.7002 BFGS: 220 16:29:56 816.531370 72.5054 BFGS: 221 16:29:56 814.695915 72.3121 BFGS: 222 16:29:56 812.865835 72.1205 BFGS: 223 16:29:56 811.041142 71.9307 BFGS: 224 16:29:56 809.221909 71.7428 BFGS: 225 16:29:56 807.408292 71.5566 BFGS: 226 16:29:56 805.600152 71.3722 BFGS: 227 16:29:56 803.797681 71.1894 BFGS: 228 16:29:56 802.000787 71.0083 BFGS: 229 16:29:56 800.209622 70.8290 BFGS: 230 16:29:56 798.424132 70.6513 BFGS: 231 16:29:56 796.644435 70.4753 BFGS: 232 16:29:56 794.870507 70.3009 BFGS: 233 16:29:56 793.102441 70.1283 BFGS: 234 16:29:56 791.340232 69.9573 BFGS: 235 16:29:56 789.583904 69.7882 BFGS: 236 16:29:56 787.833484 69.6209 BFGS: 237 16:29:56 786.089134 69.4554 BFGS: 238 16:29:56 784.350734 69.2915 BFGS: 239 16:29:56 782.618429 69.1293 BFGS: 240 16:29:56 780.892162 68.9688 BFGS: 241 16:29:56 779.172023 68.8101 BFGS: 242 16:29:56 777.457853 68.6531 BFGS: 243 16:29:56 775.749897 68.4978 BFGS: 244 16:29:56 774.048087 68.3440 BFGS: 245 16:29:56 772.352523 68.1919 BFGS: 246 16:29:56 770.663175 68.0414 BFGS: 247 16:29:56 768.980111 67.8924 BFGS: 248 16:29:56 767.303322 67.7450 BFGS: 249 16:29:56 765.632855 67.5991 BFGS: 250 16:29:56 763.968714 67.4547 BFGS: 251 16:29:56 762.310929 67.3118 BFGS: 252 16:29:56 760.659512 67.1704 BFGS: 253 16:29:56 759.014479 67.0305 BFGS: 254 16:29:56 757.375853 66.8920 BFGS: 255 16:29:56 755.743770 66.7550 BFGS: 256 16:29:56 754.118046 66.6195 BFGS: 257 16:29:56 752.498815 66.4855 BFGS: 258 16:29:56 750.885989 66.3529 BFGS: 259 16:29:56 749.279631 66.2217 BFGS: 260 16:29:56 747.679699 66.0918 BFGS: 261 16:29:56 746.086219 65.9633 BFGS: 262 16:29:56 744.499170 65.8362 BFGS: 263 16:29:56 742.918560 65.7104 BFGS: 264 16:29:56 741.344374 65.5858 BFGS: 265 16:29:56 739.776611 65.4625 BFGS: 266 16:29:56 738.215259 65.3405 BFGS: 267 16:29:56 736.660309 65.2197 BFGS: 268 16:29:56 735.111749 65.1001 BFGS: 269 16:29:56 733.569566 64.9816 BFGS: 270 16:29:56 732.033745 64.8643 BFGS: 271 16:29:56 730.504270 64.7482 BFGS: 272 16:29:56 728.981123 64.6332 BFGS: 273 16:29:56 727.464250 64.5192 BFGS: 274 16:29:56 725.953488 64.4064 BFGS: 275 16:29:56 724.449109 64.2947 BFGS: 276 16:29:56 722.950917 64.1845 BFGS: 277 16:29:56 721.458977 64.0757 BFGS: 278 16:29:56 719.973229 63.9679 BFGS: 279 16:29:56 718.493676 63.8611 BFGS: 280 16:29:56 717.020269 63.7553 BFGS: 281 16:29:56 715.552982 63.6504 BFGS: 282 16:29:56 714.091776 63.5464 BFGS: 283 16:29:56 712.636619 63.4433 BFGS: 284 16:29:56 711.187444 63.3416 BFGS: 285 16:29:56 709.744397 63.2415 BFGS: 286 16:29:56 708.307387 63.1423 BFGS: 287 16:29:56 706.876328 63.0439 BFGS: 288 16:29:56 705.451188 62.9463 BFGS: 289 16:29:56 704.031909 62.8495 BFGS: 290 16:29:56 702.618447 62.7535 BFGS: 291 16:29:56 701.210752 62.6582 BFGS: 292 16:29:56 699.808765 62.5638 BFGS: 293 16:29:56 698.412483 62.4705 BFGS: 294 16:29:56 697.022051 62.3780 BFGS: 295 16:29:56 695.637205 62.2862 BFGS: 296 16:29:56 694.257952 62.1953 BFGS: 297 16:29:56 692.884209 62.1051 BFGS: 298 16:29:56 691.515932 62.0155 BFGS: 299 16:29:56 690.153054 61.9265 BFGS: 300 16:29:56 688.795520 61.8381 BFGS: 301 16:29:56 687.443272 61.7504 BFGS: 302 16:29:56 686.096252 61.6632 BFGS: 303 16:29:56 684.754406 61.5766 BFGS: 304 16:29:56 683.417677 61.4905 BFGS: 305 16:29:56 682.086011 61.4050 BFGS: 306 16:29:56 680.759355 61.3199 BFGS: 307 16:29:56 679.437655 61.2354 BFGS: 308 16:29:56 678.120860 61.1513 BFGS: 309 16:29:56 676.808916 61.0677 BFGS: 310 16:29:56 675.501773 60.9846 BFGS: 311 16:29:56 674.199380 60.9019 BFGS: 312 16:29:56 672.901688 60.8196 BFGS: 313 16:29:56 671.608647 60.7378 BFGS: 314 16:29:56 670.320208 60.6563 BFGS: 315 16:29:56 669.036322 60.5753 BFGS: 316 16:29:56 667.756919 60.4946 BFGS: 317 16:29:56 666.482081 60.4143 BFGS: 318 16:29:56 665.211824 60.3362 BFGS: 319 16:29:56 663.945924 60.2619 BFGS: 320 16:29:56 662.684521 60.1879 BFGS: 321 16:29:56 661.427534 60.1142 BFGS: 322 16:29:56 660.174897 60.0407 BFGS: 323 16:29:56 658.926543 59.9675 BFGS: 324 16:29:56 657.682408 59.8945 BFGS: 325 16:29:56 656.442430 59.8217 BFGS: 326 16:29:56 655.206548 59.7492 BFGS: 327 16:29:56 653.974675 59.6771 BFGS: 328 16:29:56 652.746722 59.6053 BFGS: 329 16:29:56 651.522641 59.5337 BFGS: 330 16:29:56 650.302379 59.4623 BFGS: 331 16:29:56 649.085887 59.3911 BFGS: 332 16:29:56 647.873116 59.3201 BFGS: 333 16:29:56 646.664017 59.2493 BFGS: 334 16:29:56 645.458544 59.1788 BFGS: 335 16:29:56 644.256651 59.1083 BFGS: 336 16:29:56 643.058295 59.0381 BFGS: 337 16:29:56 641.863430 58.9680 BFGS: 338 16:29:56 640.672016 58.8981 BFGS: 339 16:29:56 639.484009 58.8283 BFGS: 340 16:29:56 638.299370 58.7586 BFGS: 341 16:29:56 637.118060 58.6891 BFGS: 342 16:29:56 635.940038 58.6198 BFGS: 343 16:29:56 634.765267 58.5505 BFGS: 344 16:29:56 633.593709 58.4814 BFGS: 345 16:29:56 632.425329 58.4123 BFGS: 346 16:29:57 631.260089 58.3434 BFGS: 347 16:29:57 630.097956 58.2746 BFGS: 348 16:29:57 628.938894 58.2058 BFGS: 349 16:29:57 627.782871 58.1372 BFGS: 350 16:29:57 626.629852 58.0686 BFGS: 351 16:29:57 625.479806 58.0001 BFGS: 352 16:29:57 624.332700 57.9317 BFGS: 353 16:29:57 623.188504 57.8633 BFGS: 354 16:29:57 622.047186 57.7950 BFGS: 355 16:29:57 620.908717 57.7267 BFGS: 356 16:29:57 619.773068 57.6585 BFGS: 357 16:29:57 618.640208 57.5903 BFGS: 358 16:29:57 617.510111 57.5221 BFGS: 359 16:29:57 616.382747 57.4540 BFGS: 360 16:29:57 615.258089 57.3859 BFGS: 361 16:29:57 614.136111 57.3179 BFGS: 362 16:29:57 613.016786 57.2498 BFGS: 363 16:29:57 611.900088 57.1818 BFGS: 364 16:29:57 610.785992 57.1137 BFGS: 365 16:29:57 609.674472 57.0457 BFGS: 366 16:29:57 608.565504 56.9776 BFGS: 367 16:29:57 607.459022 56.9105 BFGS: 368 16:29:57 606.355010 56.8440 BFGS: 369 16:29:57 605.253490 56.7774 BFGS: 370 16:29:57 604.154432 56.7109 BFGS: 371 16:29:57 603.057811 56.6443 BFGS: 372 16:29:57 601.963600 56.5777 BFGS: 373 16:29:57 600.871776 56.5111 BFGS: 374 16:29:57 599.782315 56.4445 BFGS: 375 16:29:57 598.695192 56.3778 BFGS: 376 16:29:57 597.610385 56.3111 BFGS: 377 16:29:57 596.527872 56.2443 BFGS: 378 16:29:57 595.447630 56.1775 BFGS: 379 16:29:57 594.369639 56.1107 BFGS: 380 16:29:57 593.293877 56.0438 BFGS: 381 16:29:57 592.220323 55.9768 BFGS: 382 16:29:57 591.148959 55.9098 BFGS: 383 16:29:57 590.079764 55.8427 BFGS: 384 16:29:57 589.012719 55.7756 BFGS: 385 16:29:57 587.947807 55.7084 BFGS: 386 16:29:57 586.885007 55.6411 BFGS: 387 16:29:57 585.824303 55.5737 BFGS: 388 16:29:57 584.765677 55.5063 BFGS: 389 16:29:57 583.709112 55.4388 BFGS: 390 16:29:57 582.654592 55.3712 BFGS: 391 16:29:57 581.602099 55.3035 BFGS: 392 16:29:57 580.551618 55.2357 BFGS: 393 16:29:57 579.503134 55.1678 BFGS: 394 16:29:57 578.456631 55.0999 BFGS: 395 16:29:57 577.412093 55.0318 BFGS: 396 16:29:57 576.369507 54.9637 BFGS: 397 16:29:57 575.328858 54.8954 BFGS: 398 16:29:57 574.290131 54.8271 BFGS: 399 16:29:57 573.253314 54.7586 BFGS: 400 16:29:57 572.218392 54.6900 BFGS: 401 16:29:57 571.185352 54.6214 BFGS: 402 16:29:57 570.154182 54.5526 BFGS: 403 16:29:57 569.124869 54.4837 BFGS: 404 16:29:57 568.097400 54.4147 BFGS: 405 16:29:57 567.071764 54.3455 BFGS: 406 16:29:57 566.047948 54.2763 BFGS: 407 16:29:57 565.025942 54.2069 BFGS: 408 16:29:57 564.005733 54.1374 BFGS: 409 16:29:57 562.987310 54.0678 BFGS: 410 16:29:57 561.970663 53.9981 BFGS: 411 16:29:57 560.955781 53.9282 BFGS: 412 16:29:57 559.942654 53.8582 BFGS: 413 16:29:57 558.931272 53.7881 BFGS: 414 16:29:57 557.921624 53.7178 BFGS: 415 16:29:57 556.913701 53.6474 BFGS: 416 16:29:57 555.907493 53.5769 BFGS: 417 16:29:57 554.902991 53.5062 BFGS: 418 16:29:57 553.900186 53.4354 BFGS: 419 16:29:57 552.899070 53.3645 BFGS: 420 16:29:57 551.899633 53.2934 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16:29:58 432.938689 43.3430 BFGS: 553 16:29:58 432.128471 43.2681 BFGS: 554 16:29:58 431.319561 43.1931 BFGS: 555 16:29:58 430.511960 43.1182 BFGS: 556 16:29:58 429.705669 43.0433 BFGS: 557 16:29:58 428.900687 42.9684 BFGS: 558 16:29:58 428.097015 42.8935 BFGS: 559 16:29:58 427.294655 42.8186 BFGS: 560 16:29:58 426.493604 42.7438 BFGS: 561 16:29:58 425.693865 42.6689 BFGS: 562 16:29:58 424.895438 42.5941 BFGS: 563 16:29:58 424.098322 42.5193 BFGS: 564 16:29:58 423.302518 42.4445 BFGS: 565 16:29:58 422.508025 42.3697 BFGS: 566 16:29:58 421.714846 42.2950 BFGS: 567 16:29:58 420.922978 42.2202 BFGS: 568 16:29:58 420.132424 42.1455 BFGS: 569 16:29:58 419.343182 42.0708 BFGS: 570 16:29:58 418.555254 41.9961 BFGS: 571 16:29:58 417.768638 41.9214 BFGS: 572 16:29:58 416.983336 41.8468 BFGS: 573 16:29:58 416.199348 41.7722 BFGS: 574 16:29:58 415.416673 41.6976 BFGS: 575 16:29:58 414.635312 41.6230 BFGS: 576 16:29:58 413.855266 41.5484 BFGS: 577 16:29:58 413.076533 41.4738 BFGS: 578 16:29:58 412.299114 41.3993 BFGS: 579 16:29:58 411.523010 41.3248 BFGS: 580 16:29:58 410.748220 41.2503 BFGS: 581 16:29:58 409.974745 41.1758 BFGS: 582 16:29:58 409.202583 41.1021 BFGS: 583 16:29:58 408.431745 41.0289 BFGS: 584 16:29:58 407.662238 40.9558 BFGS: 585 16:29:58 406.894057 40.8826 BFGS: 586 16:29:58 406.127200 40.8095 BFGS: 587 16:29:58 405.361663 40.7364 BFGS: 588 16:29:58 404.597446 40.6633 BFGS: 589 16:29:58 403.834547 40.5902 BFGS: 590 16:29:58 403.072965 40.5171 BFGS: 591 16:29:58 402.312700 40.4440 BFGS: 592 16:29:58 401.553750 40.3710 BFGS: 593 16:29:58 400.796116 40.2979 BFGS: 594 16:29:58 400.039796 40.2249 BFGS: 595 16:29:58 399.284791 40.1519 BFGS: 596 16:29:58 398.531098 40.0789 BFGS: 597 16:29:58 397.778719 40.0059 BFGS: 598 16:29:58 397.027652 39.9329 BFGS: 599 16:29:58 396.277896 39.8600 BFGS: 600 16:29:58 395.529453 39.7871 BFGS: 601 16:29:58 394.782320 39.7141 BFGS: 602 16:29:58 394.036497 39.6413 BFGS: 603 16:29:58 393.291985 39.5684 BFGS: 604 16:29:58 392.548781 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16:29:58 355.039663 35.7451 BFGS: 658 16:29:58 354.366722 35.6755 BFGS: 659 16:29:58 353.695054 35.6060 BFGS: 660 16:29:58 353.024656 35.5365 BFGS: 661 16:29:58 352.355529 35.4671 BFGS: 662 16:29:58 351.687671 35.3978 BFGS: 663 16:29:58 351.021078 35.3300 BFGS: 664 16:29:58 350.355777 35.2622 BFGS: 665 16:29:58 349.691761 35.1944 BFGS: 666 16:29:58 349.029024 35.1266 BFGS: 667 16:29:58 348.367562 35.0589 BFGS: 668 16:29:58 347.707372 34.9912 BFGS: 669 16:29:58 347.048436 34.9248 BFGS: 670 16:29:58 346.390675 34.8593 BFGS: 671 16:29:58 345.734095 34.7938 BFGS: 672 16:29:58 345.078724 34.7283 BFGS: 673 16:29:58 344.424580 34.6628 BFGS: 674 16:29:58 343.771675 34.5972 BFGS: 675 16:29:58 343.120015 34.5317 BFGS: 676 16:29:58 342.469603 34.4662 BFGS: 677 16:29:58 341.820441 34.4007 BFGS: 678 16:29:58 341.172528 34.3353 BFGS: 679 16:29:58 340.525865 34.2698 BFGS: 680 16:29:58 339.880450 34.2044 BFGS: 681 16:29:58 339.236281 34.1390 BFGS: 682 16:29:58 338.593356 34.0736 BFGS: 683 16:29:58 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16:29:59 291.057105 29.0504 BFGS: 763 16:29:59 290.509706 28.9907 BFGS: 764 16:29:59 289.963432 28.9312 BFGS: 765 16:29:59 289.418270 28.8717 BFGS: 766 16:29:59 288.874212 28.8123 BFGS: 767 16:29:59 288.331258 28.7530 BFGS: 768 16:29:59 287.789411 28.6938 BFGS: 769 16:29:59 287.248669 28.6346 BFGS: 770 16:29:59 286.709032 28.5756 BFGS: 771 16:29:59 286.170501 28.5166 BFGS: 772 16:29:59 285.633074 28.4577 BFGS: 773 16:29:59 285.096752 28.3988 BFGS: 774 16:29:59 284.561535 28.3401 BFGS: 775 16:29:59 284.027420 28.2814 BFGS: 776 16:29:59 283.494409 28.2228 BFGS: 777 16:29:59 282.962500 28.1643 BFGS: 778 16:29:59 282.431692 28.1059 BFGS: 779 16:29:59 281.901985 28.0475 BFGS: 780 16:29:59 281.373369 27.9894 BFGS: 781 16:29:59 280.845922 27.9314 BFGS: 782 16:29:59 280.319640 27.8736 BFGS: 783 16:29:59 279.794503 27.8158 BFGS: 784 16:29:59 279.270497 27.7581 BFGS: 785 16:29:59 278.747612 27.7005 BFGS: 786 16:29:59 278.225839 27.6430 BFGS: 787 16:29:59 277.705173 27.5856 BFGS: 788 16:29:59 277.185608 27.5282 BFGS: 789 16:29:59 276.667142 27.4710 BFGS: 790 16:29:59 276.149770 27.4138 BFGS: 791 16:29:59 275.633491 27.3567 BFGS: 792 16:29:59 275.118302 27.2996 BFGS: 793 16:29:59 274.604194 27.2428 BFGS: 794 16:29:59 274.091242 27.1861 BFGS: 795 16:29:59 273.579451 27.1295 BFGS: 796 16:29:59 273.068793 27.0731 BFGS: 797 16:29:59 272.559237 27.0173 BFGS: 798 16:29:59 272.050769 26.9617 BFGS: 799 16:29:59 271.543379 26.9062 BFGS: 800 16:29:59 271.037062 26.8508 BFGS: 801 16:29:59 270.531813 26.7954 BFGS: 802 16:29:59 270.027628 26.7401 BFGS: 803 16:29:59 269.524503 26.6849 BFGS: 804 16:29:59 269.022436 26.6298 BFGS: 805 16:29:59 268.521424 26.5748 BFGS: 806 16:29:59 268.021465 26.5198 BFGS: 807 16:29:59 267.522557 26.4649 BFGS: 808 16:29:59 267.024698 26.4101 BFGS: 809 16:29:59 266.527886 26.3554 BFGS: 810 16:29:59 266.032121 26.3007 BFGS: 811 16:29:59 265.537399 26.2462 BFGS: 812 16:29:59 265.043720 26.1917 BFGS: 813 16:29:59 264.551080 26.1377 BFGS: 814 16:29:59 264.059412 26.0840 BFGS: 815 16:29:59 263.568647 26.0304 BFGS: 816 16:29:59 263.078811 25.9768 BFGS: 817 16:29:59 262.589921 25.9233 BFGS: 818 16:29:59 262.101991 25.8700 BFGS: 819 16:29:59 261.615029 25.8166 BFGS: 820 16:29:59 261.129044 25.7634 BFGS: 821 16:29:59 260.644039 25.7103 BFGS: 822 16:29:59 260.160020 25.6572 BFGS: 823 16:29:59 259.676988 25.6043 BFGS: 824 16:29:59 259.194945 25.5514 BFGS: 825 16:29:59 258.713892 25.4986 BFGS: 826 16:29:59 258.233831 25.4459 BFGS: 827 16:29:59 257.754760 25.3933 BFGS: 828 16:29:59 257.276680 25.3408 BFGS: 829 16:29:59 256.799592 25.2883 BFGS: 830 16:29:59 256.323494 25.2360 BFGS: 831 16:29:59 255.848386 25.1837 BFGS: 832 16:29:59 255.374267 25.1315 BFGS: 833 16:29:59 254.901137 25.0794 BFGS: 834 16:29:59 254.428996 25.0274 BFGS: 835 16:29:59 253.957842 24.9755 BFGS: 836 16:29:59 253.487674 24.9236 BFGS: 837 16:29:59 253.018492 24.8719 BFGS: 838 16:29:59 252.550295 24.8202 BFGS: 839 16:29:59 252.083082 24.7686 BFGS: 840 16:29:59 251.616852 24.7171 BFGS: 841 16:29:59 251.151604 24.6657 BFGS: 842 16:29:59 250.687336 24.6143 BFGS: 843 16:29:59 250.224049 24.5631 BFGS: 844 16:29:59 249.761741 24.5119 BFGS: 845 16:29:59 249.300411 24.4608 BFGS: 846 16:29:59 248.840058 24.4098 BFGS: 847 16:29:59 248.380668 24.3588 BFGS: 848 16:29:59 247.922340 24.3080 BFGS: 849 16:29:59 247.465056 24.2573 BFGS: 850 16:29:59 247.008798 24.2066 BFGS: 851 16:29:59 246.553553 24.1561 BFGS: 852 16:29:59 246.099309 24.1056 BFGS: 853 16:29:59 245.646059 24.0557 BFGS: 854 16:29:59 245.193791 24.0057 BFGS: 855 16:29:59 244.742502 23.9560 BFGS: 856 16:29:59 244.292173 23.9065 BFGS: 857 16:29:59 243.842798 23.8570 BFGS: 858 16:29:59 243.394370 23.8077 BFGS: 859 16:29:59 242.946883 23.7585 BFGS: 860 16:29:59 242.500335 23.7094 BFGS: 861 16:29:59 242.054723 23.6604 BFGS: 862 16:29:59 241.610042 23.6116 BFGS: 863 16:29:59 241.166292 23.5631 BFGS: 864 16:29:59 240.723472 23.5147 BFGS: 865 16:29:59 240.281580 23.4663 BFGS: 866 16:29:59 239.840615 23.4181 BFGS: 867 16:29:59 239.400575 23.3699 BFGS: 868 16:29:59 238.961459 23.3218 BFGS: 869 16:29:59 238.523265 23.2738 BFGS: 870 16:29:59 238.085993 23.2259 BFGS: 871 16:29:59 237.649642 23.1781 BFGS: 872 16:29:59 237.214210 23.1303 BFGS: 873 16:29:59 236.779695 23.0827 BFGS: 874 16:29:59 236.346097 23.0351 BFGS: 875 16:29:59 235.913415 22.9876 BFGS: 876 16:29:59 235.481629 22.9405 BFGS: 877 16:29:59 235.050690 22.8935 BFGS: 878 16:29:59 234.620609 22.8467 BFGS: 879 16:29:59 234.191386 22.8000 BFGS: 880 16:29:59 233.763023 22.7534 BFGS: 881 16:29:59 233.335523 22.7069 BFGS: 882 16:29:59 232.908890 22.6605 BFGS: 883 16:29:59 232.483124 22.6142 BFGS: 884 16:29:59 232.058225 22.5680 BFGS: 885 16:29:59 231.634195 22.5219 BFGS: 886 16:29:59 231.211034 22.4759 BFGS: 887 16:29:59 230.788741 22.4299 BFGS: 888 16:29:59 230.367317 22.3841 BFGS: 889 16:29:59 229.946760 22.3383 BFGS: 890 16:29:59 229.527071 22.2927 BFGS: 891 16:29:59 229.108220 22.2474 BFGS: 892 16:29:59 228.690168 22.2021 BFGS: 893 16:29:59 228.272929 22.1570 BFGS: 894 16:29:59 227.856513 22.1119 BFGS: 895 16:29:59 227.440927 22.0669 BFGS: 896 16:29:59 227.026177 22.0220 BFGS: 897 16:29:59 226.612267 21.9771 BFGS: 898 16:29:59 226.199200 21.9324 BFGS: 899 16:29:59 225.786979 21.8877 BFGS: 900 16:29:59 225.375603 21.8431 BFGS: 901 16:29:59 224.965074 21.7986 BFGS: 902 16:29:59 224.555392 21.7541 BFGS: 903 16:29:59 224.146557 21.7098 BFGS: 904 16:29:59 223.738569 21.6655 BFGS: 905 16:29:59 223.331426 21.6213 BFGS: 906 16:29:59 222.925129 21.5772 BFGS: 907 16:29:59 222.519676 21.5332 BFGS: 908 16:29:59 222.115066 21.4892 BFGS: 909 16:29:59 221.711299 21.4454 BFGS: 910 16:29:59 221.308373 21.4016 BFGS: 911 16:29:59 220.906287 21.3579 BFGS: 912 16:29:59 220.505040 21.3143 BFGS: 913 16:30:00 220.104631 21.2707 BFGS: 914 16:30:00 219.705058 21.2273 BFGS: 915 16:30:00 219.306321 21.1839 BFGS: 916 16:30:00 218.908418 21.1406 BFGS: 917 16:30:00 218.511347 21.0974 BFGS: 918 16:30:00 218.115109 21.0543 BFGS: 919 16:30:00 217.719700 21.0112 BFGS: 920 16:30:00 217.325121 20.9682 BFGS: 921 16:30:00 216.931370 20.9253 BFGS: 922 16:30:00 216.538445 20.8825 BFGS: 923 16:30:00 216.146345 20.8398 BFGS: 924 16:30:00 215.755069 20.7971 BFGS: 925 16:30:00 215.364616 20.7545 BFGS: 926 16:30:00 214.974984 20.7120 BFGS: 927 16:30:00 214.586173 20.6696 BFGS: 928 16:30:00 214.198180 20.6273 BFGS: 929 16:30:00 213.811005 20.5850 BFGS: 930 16:30:00 213.424646 20.5428 BFGS: 931 16:30:00 213.039103 20.5007 BFGS: 932 16:30:00 212.654373 20.4586 BFGS: 933 16:30:00 212.270455 20.4167 BFGS: 934 16:30:00 211.887349 20.3748 BFGS: 935 16:30:00 211.505053 20.3329 BFGS: 936 16:30:00 211.123566 20.2912 BFGS: 937 16:30:00 210.742886 20.2495 BFGS: 938 16:30:00 210.363012 20.2079 BFGS: 939 16:30:00 209.983943 20.1664 BFGS: 940 16:30:00 209.605678 20.1250 BFGS: 941 16:30:00 209.228215 20.0836 BFGS: 942 16:30:00 208.851554 20.0423 BFGS: 943 16:30:00 208.475692 20.0011 BFGS: 944 16:30:00 208.100629 19.9600 BFGS: 945 16:30:00 207.726362 19.9191 BFGS: 946 16:30:00 207.352873 19.8784 BFGS: 947 16:30:00 206.980156 19.8379 BFGS: 948 16:30:00 206.608213 19.7974 BFGS: 949 16:30:00 206.237043 19.7570 BFGS: 950 16:30:00 205.866645 19.7167 BFGS: 951 16:30:00 205.497018 19.6764 BFGS: 952 16:30:00 205.128162 19.6362 BFGS: 953 16:30:00 204.760076 19.5961 BFGS: 954 16:30:00 204.392759 19.5561 BFGS: 955 16:30:00 204.026210 19.5162 BFGS: 956 16:30:00 203.660429 19.4763 BFGS: 957 16:30:00 203.295414 19.4366 BFGS: 958 16:30:00 202.931151 19.3973 BFGS: 959 16:30:00 202.567585 19.3579 BFGS: 960 16:30:00 202.204719 19.3187 BFGS: 961 16:30:00 201.842565 19.2795 BFGS: 962 16:30:00 201.481129 19.2404 BFGS: 963 16:30:00 201.120419 19.2013 BFGS: 964 16:30:00 200.760440 19.1623 BFGS: 965 16:30:00 200.401194 19.1234 BFGS: 966 16:30:00 200.042684 19.0845 BFGS: 967 16:30:00 199.684913 19.0457 BFGS: 968 16:30:00 199.327880 19.0070 BFGS: 969 16:30:00 198.971587 18.9684 BFGS: 970 16:30:00 198.616030 18.9304 BFGS: 971 16:30:00 198.261211 18.8928 BFGS: 972 16:30:00 197.907130 18.8553 BFGS: 973 16:30:00 197.553785 18.8178 BFGS: 974 16:30:00 197.201170 18.7804 BFGS: 975 16:30:00 196.849283 18.7430 BFGS: 976 16:30:00 196.498121 18.7060 BFGS: 977 16:30:00 196.147676 18.6696 BFGS: 978 16:30:00 195.797966 18.6334 BFGS: 979 16:30:00 195.448985 18.5972 BFGS: 980 16:30:00 195.100728 18.5610 BFGS: 981 16:30:00 194.753190 18.5250 BFGS: 982 16:30:00 194.406368 18.4890 BFGS: 983 16:30:00 194.060260 18.4531 BFGS: 984 16:30:00 193.714861 18.4172 BFGS: 985 16:30:00 193.370170 18.3815 BFGS: 986 16:30:00 193.026184 18.3457 BFGS: 987 16:30:00 192.682902 18.3101 BFGS: 988 16:30:00 192.340316 18.2745 BFGS: 989 16:30:00 191.998418 18.2390 BFGS: 990 16:30:00 191.657204 18.2036 BFGS: 991 16:30:00 191.316671 18.1682 BFGS: 992 16:30:00 190.976815 18.1329 BFGS: 993 16:30:00 190.637634 18.0978 BFGS: 994 16:30:00 190.299123 18.0626 BFGS: 995 16:30:00 189.961283 18.0276 BFGS: 996 16:30:00 189.624109 17.9926 BFGS: 997 16:30:00 189.287602 17.9577 BFGS: 998 16:30:00 188.951758 17.9229 BFGS: 999 16:30:00 188.616578 17.8881 BFGS: 1000 16:30:00 188.282058 17.8535 BFGS: 1001 16:30:00 187.948198 17.8188 BFGS: 1002 16:30:00 187.614998 17.7843 BFGS: 1003 16:30:00 187.282455 17.7498 BFGS: 1004 16:30:00 186.950568 17.7154 BFGS: 1005 16:30:00 186.619337 17.6811 BFGS: 1006 16:30:00 186.288760 17.6468 BFGS: 1007 16:30:00 185.958836 17.6127 BFGS: 1008 16:30:00 185.629564 17.5785 BFGS: 1009 16:30:00 185.300944 17.5445 BFGS: 1010 16:30:00 184.972974 17.5105 BFGS: 1011 16:30:00 184.645652 17.4766 BFGS: 1012 16:30:00 184.318979 17.4427 BFGS: 1013 16:30:00 183.992953 17.4089 BFGS: 1014 16:30:00 183.667573 17.3752 BFGS: 1015 16:30:00 183.342838 17.3416 BFGS: 1016 16:30:00 183.018747 17.3080 BFGS: 1017 16:30:00 182.695299 17.2745 BFGS: 1018 16:30:00 182.372493 17.2410 BFGS: 1019 16:30:00 182.050328 17.2077 BFGS: 1020 16:30:00 181.728803 17.1743 BFGS: 1021 16:30:00 181.407917 17.1411 BFGS: 1022 16:30:00 181.087668 17.1079 BFGS: 1023 16:30:00 180.768057 17.0748 BFGS: 1024 16:30:00 180.449082 17.0417 BFGS: 1025 16:30:00 180.130742 17.0087 BFGS: 1026 16:30:00 179.813035 16.9758 BFGS: 1027 16:30:00 179.495962 16.9430 BFGS: 1028 16:30:00 179.179520 16.9102 BFGS: 1029 16:30:00 178.863709 16.8774 BFGS: 1030 16:30:00 178.548528 16.8448 BFGS: 1031 16:30:00 178.233976 16.8121 BFGS: 1032 16:30:00 177.920052 16.7796 BFGS: 1033 16:30:00 177.606755 16.7471 BFGS: 1034 16:30:00 177.294083 16.7147 BFGS: 1035 16:30:00 176.982036 16.6823 BFGS: 1036 16:30:00 176.670614 16.6500 BFGS: 1037 16:30:00 176.359814 16.6178 BFGS: 1038 16:30:00 176.049635 16.5856 BFGS: 1039 16:30:00 175.740078 16.5535 BFGS: 1040 16:30:00 175.431141 16.5215 BFGS: 1041 16:30:00 175.122822 16.4895 BFGS: 1042 16:30:00 174.815121 16.4576 BFGS: 1043 16:30:00 174.508037 16.4257 BFGS: 1044 16:30:00 174.201568 16.3939 BFGS: 1045 16:30:00 173.895715 16.3622 BFGS: 1046 16:30:00 173.590475 16.3305 BFGS: 1047 16:30:00 173.285848 16.2989 BFGS: 1048 16:30:00 172.981833 16.2673 BFGS: 1049 16:30:00 172.678429 16.2358 BFGS: 1050 16:30:00 172.375635 16.2043 BFGS: 1051 16:30:00 172.073449 16.1730 BFGS: 1052 16:30:00 171.771871 16.1416 BFGS: 1053 16:30:00 171.470901 16.1104 BFGS: 1054 16:30:00 171.170536 16.0792 BFGS: 1055 16:30:00 170.870776 16.0480 BFGS: 1056 16:30:00 170.571619 16.0169 BFGS: 1057 16:30:00 170.273066 15.9859 BFGS: 1058 16:30:00 169.975115 15.9549 BFGS: 1059 16:30:00 169.677765 15.9240 BFGS: 1060 16:30:00 169.381015 15.8932 BFGS: 1061 16:30:00 169.084863 15.8624 BFGS: 1062 16:30:00 168.789310 15.8316 BFGS: 1063 16:30:00 168.494354 15.8009 BFGS: 1064 16:30:00 168.199994 15.7703 BFGS: 1065 16:30:00 167.906229 15.7397 BFGS: 1066 16:30:00 167.613059 15.7092 BFGS: 1067 16:30:00 167.320481 15.6788 BFGS: 1068 16:30:00 167.028496 15.6484 BFGS: 1069 16:30:00 166.737102 15.6180 BFGS: 1070 16:30:00 166.446298 15.5877 BFGS: 1071 16:30:00 166.156084 15.5575 BFGS: 1072 16:30:00 165.866458 15.5273 BFGS: 1073 16:30:00 165.577420 15.4972 BFGS: 1074 16:30:00 165.288968 15.4671 BFGS: 1075 16:30:00 165.001101 15.4371 BFGS: 1076 16:30:00 164.713819 15.4072 BFGS: 1077 16:30:00 164.427121 15.3773 BFGS: 1078 16:30:00 164.141005 15.3474 BFGS: 1079 16:30:00 163.855472 15.3176 BFGS: 1080 16:30:00 163.570519 15.2879 BFGS: 1081 16:30:00 163.286146 15.2582 BFGS: 1082 16:30:00 163.002351 15.2286 BFGS: 1083 16:30:00 162.719135 15.1990 BFGS: 1084 16:30:00 162.436496 15.1695 BFGS: 1085 16:30:00 162.154433 15.1400 BFGS: 1086 16:30:00 161.872945 15.1106 BFGS: 1087 16:30:00 161.592031 15.0813 BFGS: 1088 16:30:00 161.311691 15.0520 BFGS: 1089 16:30:00 161.031923 15.0227 BFGS: 1090 16:30:00 160.752726 14.9935 BFGS: 1091 16:30:00 160.474100 14.9644 BFGS: 1092 16:30:00 160.196044 14.9354 BFGS: 1093 16:30:01 159.918544 14.9077 BFGS: 1094 16:30:01 159.641576 14.8801 BFGS: 1095 16:30:01 159.365141 14.8525 BFGS: 1096 16:30:01 159.089238 14.8249 BFGS: 1097 16:30:01 158.813867 14.7974 BFGS: 1098 16:30:01 158.539028 14.7700 BFGS: 1099 16:30:01 158.264722 14.7426 BFGS: 1100 16:30:01 157.990948 14.7153 BFGS: 1101 16:30:01 157.717705 14.6880 BFGS: 1102 16:30:01 157.444993 14.6608 BFGS: 1103 16:30:01 157.172812 14.6336 BFGS: 1104 16:30:01 156.901161 14.6065 BFGS: 1105 16:30:01 156.630039 14.5794 BFGS: 1106 16:30:01 156.359447 14.5524 BFGS: 1107 16:30:01 156.089382 14.5254 BFGS: 1108 16:30:01 155.819845 14.4985 BFGS: 1109 16:30:01 155.550835 14.4716 BFGS: 1110 16:30:01 155.282352 14.4448 BFGS: 1111 16:30:01 155.014394 14.4180 BFGS: 1112 16:30:01 154.746961 14.3913 BFGS: 1113 16:30:01 154.480052 14.3646 BFGS: 1114 16:30:01 154.213666 14.3380 BFGS: 1115 16:30:01 153.947803 14.3114 BFGS: 1116 16:30:01 153.682463 14.2849 BFGS: 1117 16:30:01 153.417643 14.2584 BFGS: 1118 16:30:01 153.153344 14.2320 BFGS: 1119 16:30:01 152.889565 14.2056 BFGS: 1120 16:30:01 152.626305 14.1793 BFGS: 1121 16:30:01 152.363563 14.1530 BFGS: 1122 16:30:01 152.101339 14.1268 BFGS: 1123 16:30:01 151.839631 14.1006 BFGS: 1124 16:30:01 151.578440 14.0745 BFGS: 1125 16:30:01 151.317764 14.0484 BFGS: 1126 16:30:01 151.057602 14.0224 BFGS: 1127 16:30:01 150.797954 13.9964 BFGS: 1128 16:30:01 150.538820 13.9704 BFGS: 1129 16:30:01 150.280197 13.9446 BFGS: 1130 16:30:01 150.022086 13.9187 BFGS: 1131 16:30:01 149.764485 13.8929 BFGS: 1132 16:30:01 149.507395 13.8672 BFGS: 1133 16:30:01 149.250814 13.8414 BFGS: 1134 16:30:01 148.994741 13.8158 BFGS: 1135 16:30:01 148.739176 13.7902 BFGS: 1136 16:30:01 148.484118 13.7646 BFGS: 1137 16:30:01 148.229566 13.7391 BFGS: 1138 16:30:01 147.975519 13.7136 BFGS: 1139 16:30:01 147.721977 13.6882 BFGS: 1140 16:30:01 147.468939 13.6628 BFGS: 1141 16:30:01 147.216404 13.6375 BFGS: 1142 16:30:01 146.964371 13.6122 BFGS: 1143 16:30:01 146.712840 13.5869 BFGS: 1144 16:30:01 146.461810 13.5617 BFGS: 1145 16:30:01 146.211279 13.5366 BFGS: 1146 16:30:01 145.961249 13.5114 BFGS: 1147 16:30:01 145.711716 13.4864 BFGS: 1148 16:30:01 145.462682 13.4614 BFGS: 1149 16:30:01 145.214144 13.4364 BFGS: 1150 16:30:01 144.966103 13.4115 BFGS: 1151 16:30:01 144.718557 13.3866 BFGS: 1152 16:30:01 144.471506 13.3617 BFGS: 1153 16:30:01 144.224949 13.3369 BFGS: 1154 16:30:01 143.978885 13.3122 BFGS: 1155 16:30:01 143.733314 13.2875 BFGS: 1156 16:30:01 143.488234 13.2628 BFGS: 1157 16:30:01 143.243646 13.2382 BFGS: 1158 16:30:01 142.999548 13.2136 BFGS: 1159 16:30:01 142.755939 13.1890 BFGS: 1160 16:30:01 142.512819 13.1645 BFGS: 1161 16:30:01 142.270187 13.1401 BFGS: 1162 16:30:01 142.028042 13.1157 BFGS: 1163 16:30:01 141.786383 13.0913 BFGS: 1164 16:30:01 141.545211 13.0670 BFGS: 1165 16:30:01 141.304523 13.0427 BFGS: 1166 16:30:01 141.064320 13.0185 BFGS: 1167 16:30:01 140.824600 12.9943 BFGS: 1168 16:30:01 140.585363 12.9701 BFGS: 1169 16:30:01 140.346609 12.9460 BFGS: 1170 16:30:01 140.108335 12.9220 BFGS: 1171 16:30:01 139.870542 12.8979 BFGS: 1172 16:30:01 139.633229 12.8740 BFGS: 1173 16:30:01 139.396395 12.8500 BFGS: 1174 16:30:01 139.160039 12.8261 BFGS: 1175 16:30:01 138.924161 12.8023 BFGS: 1176 16:30:01 138.688760 12.7784 BFGS: 1177 16:30:01 138.453835 12.7547 BFGS: 1178 16:30:01 138.219385 12.7309 BFGS: 1179 16:30:01 137.985411 12.7072 BFGS: 1180 16:30:01 137.751910 12.6836 BFGS: 1181 16:30:01 137.518882 12.6600 BFGS: 1182 16:30:01 137.286327 12.6364 BFGS: 1183 16:30:01 137.054244 12.6129 BFGS: 1184 16:30:01 136.822632 12.5894 BFGS: 1185 16:30:01 136.591490 12.5659 BFGS: 1186 16:30:01 136.360818 12.5425 BFGS: 1187 16:30:01 136.130615 12.5192 BFGS: 1188 16:30:01 135.900881 12.4958 BFGS: 1189 16:30:01 135.671613 12.4726 BFGS: 1190 16:30:01 135.442813 12.4493 BFGS: 1191 16:30:01 135.214478 12.4261 BFGS: 1192 16:30:01 134.986609 12.4029 BFGS: 1193 16:30:01 134.759205 12.3798 BFGS: 1194 16:30:01 134.532264 12.3567 BFGS: 1195 16:30:01 134.305787 12.3337 BFGS: 1196 16:30:01 134.079773 12.3107 BFGS: 1197 16:30:01 133.854220 12.2877 BFGS: 1198 16:30:01 133.629128 12.2648 BFGS: 1199 16:30:01 133.404497 12.2419 BFGS: 1200 16:30:01 133.180326 12.2190 BFGS: 1201 16:30:01 132.956613 12.1962 BFGS: 1202 16:30:01 132.733359 12.1734 BFGS: 1203 16:30:01 132.510563 12.1507 BFGS: 1204 16:30:01 132.288223 12.1280 BFGS: 1205 16:30:01 132.066340 12.1054 BFGS: 1206 16:30:01 131.844912 12.0828 BFGS: 1207 16:30:01 131.623924 12.0603 BFGS: 1208 16:30:01 131.403359 12.0379 BFGS: 1209 16:30:01 131.183220 12.0156 BFGS: 1210 16:30:01 130.963509 11.9932 BFGS: 1211 16:30:01 130.744227 11.9709 BFGS: 1212 16:30:01 130.525376 11.9487 BFGS: 1213 16:30:01 130.306956 11.9264 BFGS: 1214 16:30:01 130.088969 11.9043 BFGS: 1215 16:30:01 129.871414 11.8821 BFGS: 1216 16:30:01 129.654293 11.8600 BFGS: 1217 16:30:01 129.437605 11.8380 BFGS: 1218 16:30:01 129.221351 11.8159 BFGS: 1219 16:30:01 129.005530 11.7939 BFGS: 1220 16:30:01 128.790142 11.7720 BFGS: 1221 16:30:01 128.575188 11.7501 BFGS: 1222 16:30:01 128.360666 11.7282 BFGS: 1223 16:30:01 128.146576 11.7064 BFGS: 1224 16:30:01 127.932919 11.6846 BFGS: 1225 16:30:01 127.719693 11.6628 BFGS: 1226 16:30:01 127.506899 11.6411 BFGS: 1227 16:30:01 127.294536 11.6194 BFGS: 1228 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11.0905 BFGS: 1254 16:30:01 121.718641 11.0716 BFGS: 1255 16:30:01 121.517789 11.0529 BFGS: 1256 16:30:01 121.317333 11.0341 BFGS: 1257 16:30:01 121.117272 11.0154 BFGS: 1258 16:30:01 120.917604 10.9967 BFGS: 1259 16:30:01 120.718329 10.9780 BFGS: 1260 16:30:01 120.519444 10.9594 BFGS: 1261 16:30:01 120.320948 10.9408 BFGS: 1262 16:30:02 120.122841 10.9222 BFGS: 1263 16:30:02 119.925121 10.9037 BFGS: 1264 16:30:02 119.727788 10.8851 BFGS: 1265 16:30:02 119.530840 10.8666 BFGS: 1266 16:30:02 119.334277 10.8482 BFGS: 1267 16:30:02 119.138097 10.8298 BFGS: 1268 16:30:02 118.942301 10.8113 BFGS: 1269 16:30:02 118.746886 10.7930 BFGS: 1270 16:30:02 118.551853 10.7746 BFGS: 1271 16:30:02 118.357200 10.7563 BFGS: 1272 16:30:02 118.162927 10.7380 BFGS: 1273 16:30:02 117.969032 10.7198 BFGS: 1274 16:30:02 117.775516 10.7015 BFGS: 1275 16:30:02 117.582378 10.6833 BFGS: 1276 16:30:02 117.389616 10.6651 BFGS: 1277 16:30:02 117.197231 10.6470 BFGS: 1278 16:30:02 117.005220 10.6289 BFGS: 1279 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10.1675 BFGS: 1305 16:30:02 111.960434 10.1501 BFGS: 1306 16:30:02 111.778671 10.1328 BFGS: 1307 16:30:02 111.597264 10.1154 BFGS: 1308 16:30:02 111.416215 10.0981 BFGS: 1309 16:30:02 111.235521 10.0809 BFGS: 1310 16:30:02 111.055182 10.0636 BFGS: 1311 16:30:02 110.875198 10.0464 BFGS: 1312 16:30:02 110.695569 10.0292 BFGS: 1313 16:30:02 110.516292 10.0121 BFGS: 1314 16:30:02 110.337369 9.9949 BFGS: 1315 16:30:02 110.158798 9.9778 BFGS: 1316 16:30:02 109.980579 9.9608 BFGS: 1317 16:30:02 109.802711 9.9437 BFGS: 1318 16:30:02 109.625193 9.9267 BFGS: 1319 16:30:02 109.448026 9.9097 BFGS: 1320 16:30:02 109.271208 9.8927 BFGS: 1321 16:30:02 109.094739 9.8757 BFGS: 1322 16:30:02 108.918619 9.8588 BFGS: 1323 16:30:02 108.742846 9.8419 BFGS: 1324 16:30:02 108.567420 9.8251 BFGS: 1325 16:30:02 108.392342 9.8082 BFGS: 1326 16:30:02 108.217609 9.7914 BFGS: 1327 16:30:02 108.043222 9.7746 BFGS: 1328 16:30:02 107.869180 9.7578 BFGS: 1329 16:30:02 107.695482 9.7411 BFGS: 1330 16:30:02 107.522128 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42.048980 3.3416 BFGS: 2005 16:30:06 41.999833 3.3371 BFGS: 2006 16:30:06 41.950763 3.3327 BFGS: 2007 16:30:06 41.901770 3.3282 BFGS: 2008 16:30:06 41.852852 3.3237 BFGS: 2009 16:30:06 41.804012 3.3193 BFGS: 2010 16:30:06 41.755247 3.3148 BFGS: 2011 16:30:06 41.706558 3.3104 BFGS: 2012 16:30:06 41.657945 3.3059 BFGS: 2013 16:30:06 41.609408 3.3015 BFGS: 2014 16:30:06 41.560947 3.2971 BFGS: 2015 16:30:06 41.512561 3.2926 BFGS: 2016 16:30:06 41.464251 3.2882 BFGS: 2017 16:30:06 41.416016 3.2838 BFGS: 2018 16:30:06 41.367857 3.2794 BFGS: 2019 16:30:06 41.319772 3.2750 BFGS: 2020 16:30:06 41.271763 3.2706 BFGS: 2021 16:30:06 41.223828 3.2662 BFGS: 2022 16:30:06 41.175969 3.2618 BFGS: 2023 16:30:06 41.128184 3.2574 BFGS: 2024 16:30:06 41.080473 3.2530 BFGS: 2025 16:30:06 41.032830 3.2487 BFGS: 2026 16:30:06 40.985250 3.2443 BFGS: 2027 16:30:06 40.937734 3.2399 BFGS: 2028 16:30:06 40.890281 3.2356 BFGS: 2029 16:30:06 40.842892 3.2312 BFGS: 2030 16:30:06 40.795566 3.2269 BFGS: 2031 16:30:06 40.748303 3.2225 BFGS: 2032 16:30:06 40.701103 3.2182 BFGS: 2033 16:30:06 40.653967 3.2138 BFGS: 2034 16:30:06 40.606893 3.2095 BFGS: 2035 16:30:06 40.559881 3.2051 BFGS: 2036 16:30:06 40.512933 3.2008 BFGS: 2037 16:30:06 40.466046 3.1965 BFGS: 2038 16:30:06 40.419222 3.1922 BFGS: 2039 16:30:06 40.372461 3.1878 BFGS: 2040 16:30:06 40.325761 3.1835 BFGS: 2041 16:30:06 40.279124 3.1792 BFGS: 2042 16:30:06 40.232549 3.1749 BFGS: 2043 16:30:06 40.186035 3.1706 BFGS: 2044 16:30:06 40.139584 3.1663 BFGS: 2045 16:30:06 40.093194 3.1620 BFGS: 2046 16:30:06 40.046866 3.1577 BFGS: 2047 16:30:06 40.000600 3.1534 BFGS: 2048 16:30:06 39.954395 3.1491 BFGS: 2049 16:30:06 39.908252 3.1448 BFGS: 2050 16:30:06 39.862170 3.1405 BFGS: 2051 16:30:06 39.816150 3.1363 BFGS: 2052 16:30:06 39.770191 3.1320 BFGS: 2053 16:30:06 39.724293 3.1277 BFGS: 2054 16:30:06 39.678456 3.1235 BFGS: 2055 16:30:06 39.632681 3.1192 BFGS: 2056 16:30:06 39.586967 3.1150 BFGS: 2057 16:30:06 39.541314 3.1107 BFGS: 2058 16:30:06 39.495722 3.1065 BFGS: 2059 16:30:06 39.450191 3.1022 BFGS: 2060 16:30:06 39.404721 3.0980 BFGS: 2061 16:30:06 39.359312 3.0938 BFGS: 2062 16:30:06 39.313963 3.0895 BFGS: 2063 16:30:06 39.268676 3.0853 BFGS: 2064 16:30:06 39.223449 3.0811 BFGS: 2065 16:30:06 39.178283 3.0771 BFGS: 2066 16:30:06 39.133172 3.0737 BFGS: 2067 16:30:06 39.088114 3.0704 BFGS: 2068 16:30:06 39.043110 3.0671 BFGS: 2069 16:30:06 38.998160 3.0637 BFGS: 2070 16:30:06 38.953262 3.0604 BFGS: 2071 16:30:06 38.908418 3.0571 BFGS: 2072 16:30:06 38.863628 3.0538 BFGS: 2073 16:30:06 38.818890 3.0504 BFGS: 2074 16:30:06 38.774205 3.0471 BFGS: 2075 16:30:06 38.729574 3.0438 BFGS: 2076 16:30:06 38.684996 3.0405 BFGS: 2077 16:30:06 38.640470 3.0372 BFGS: 2078 16:30:06 38.595998 3.0339 BFGS: 2079 16:30:06 38.551579 3.0306 BFGS: 2080 16:30:06 38.507212 3.0273 BFGS: 2081 16:30:06 38.462898 3.0240 BFGS: 2082 16:30:06 38.418638 3.0207 BFGS: 2083 16:30:06 38.374430 3.0174 BFGS: 2084 16:30:06 38.330274 3.0141 BFGS: 2085 16:30:06 38.286172 3.0109 BFGS: 2086 16:30:06 38.242122 3.0076 BFGS: 2087 16:30:06 38.198125 3.0043 BFGS: 2088 16:30:06 38.154180 3.0011 BFGS: 2089 16:30:06 38.110288 2.9978 BFGS: 2090 16:30:06 38.066448 2.9945 BFGS: 2091 16:30:06 38.022661 2.9913 BFGS: 2092 16:30:06 37.978926 2.9880 BFGS: 2093 16:30:06 37.935244 2.9848 BFGS: 2094 16:30:06 37.891614 2.9815 BFGS: 2095 16:30:06 37.848036 2.9783 BFGS: 2096 16:30:06 37.804510 2.9750 BFGS: 2097 16:30:06 37.761037 2.9718 BFGS: 2098 16:30:06 37.717616 2.9685 BFGS: 2099 16:30:06 37.674247 2.9653 BFGS: 2100 16:30:06 37.630930 2.9621 BFGS: 2101 16:30:06 37.587666 2.9589 BFGS: 2102 16:30:06 37.544453 2.9556 BFGS: 2103 16:30:06 37.501292 2.9524 BFGS: 2104 16:30:06 37.458183 2.9492 BFGS: 2105 16:30:06 37.415126 2.9460 BFGS: 2106 16:30:06 37.372121 2.9428 BFGS: 2107 16:30:06 37.329168 2.9396 BFGS: 2108 16:30:06 37.286267 2.9364 BFGS: 2109 16:30:06 37.243417 2.9332 BFGS: 2110 16:30:06 37.200619 2.9300 BFGS: 2111 16:30:06 37.157872 2.9268 BFGS: 2112 16:30:07 37.115178 2.9236 BFGS: 2113 16:30:07 37.072534 2.9204 BFGS: 2114 16:30:07 37.029942 2.9173 BFGS: 2115 16:30:07 36.987402 2.9141 BFGS: 2116 16:30:07 36.944913 2.9109 BFGS: 2117 16:30:07 36.902476 2.9077 BFGS: 2118 16:30:07 36.860090 2.9046 BFGS: 2119 16:30:07 36.817755 2.9014 BFGS: 2120 16:30:07 36.775471 2.8983 BFGS: 2121 16:30:07 36.733238 2.8951 BFGS: 2122 16:30:07 36.691057 2.8919 BFGS: 2123 16:30:07 36.648927 2.8888 BFGS: 2124 16:30:07 36.606848 2.8857 BFGS: 2125 16:30:07 36.564820 2.8825 BFGS: 2126 16:30:07 36.522842 2.8794 BFGS: 2127 16:30:07 36.480916 2.8762 BFGS: 2128 16:30:07 36.439041 2.8731 BFGS: 2129 16:30:07 36.397216 2.8700 BFGS: 2130 16:30:07 36.355442 2.8669 BFGS: 2131 16:30:07 36.313719 2.8637 BFGS: 2132 16:30:07 36.272047 2.8606 BFGS: 2133 16:30:07 36.230425 2.8575 BFGS: 2134 16:30:07 36.188854 2.8544 BFGS: 2135 16:30:07 36.147333 2.8513 BFGS: 2136 16:30:07 36.105863 2.8482 BFGS: 2137 16:30:07 36.064444 2.8451 BFGS: 2138 16:30:07 36.023074 2.8420 BFGS: 2139 16:30:07 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0.3146 BFGS: 4108 16:30:16 2.815071 0.3144 BFGS: 4109 16:30:16 2.810291 0.3141 BFGS: 4110 16:30:16 2.805517 0.3138 BFGS: 4111 16:30:16 2.800749 0.3135 BFGS: 4112 16:30:16 2.795985 0.3132 BFGS: 4113 16:30:16 2.791228 0.3130 BFGS: 4114 16:30:16 2.786475 0.3127 BFGS: 4115 16:30:16 2.781728 0.3124 BFGS: 4116 16:30:16 2.776986 0.3121 BFGS: 4117 16:30:16 2.772250 0.3118 BFGS: 4118 16:30:16 2.767519 0.3116 BFGS: 4119 16:30:16 2.762793 0.3113 BFGS: 4120 16:30:16 2.758073 0.3110 BFGS: 4121 16:30:16 2.753358 0.3107 BFGS: 4122 16:30:16 2.748648 0.3104 BFGS: 4123 16:30:16 2.743944 0.3102 BFGS: 4124 16:30:16 2.739245 0.3099 BFGS: 4125 16:30:17 2.734552 0.3096 BFGS: 4126 16:30:17 2.729864 0.3093 BFGS: 4127 16:30:17 2.725181 0.3090 BFGS: 4128 16:30:17 2.720503 0.3088 BFGS: 4129 16:30:17 2.715831 0.3085 BFGS: 4130 16:30:17 2.711164 0.3082 BFGS: 4131 16:30:17 2.706503 0.3079 BFGS: 4132 16:30:17 2.701846 0.3076 BFGS: 4133 16:30:17 2.697196 0.3074 BFGS: 4134 16:30:17 2.692550 0.3071 BFGS: 4135 16:30:17 2.687910 0.3068 BFGS: 4136 16:30:17 2.683275 0.3065 BFGS: 4137 16:30:17 2.678645 0.3063 BFGS: 4138 16:30:17 2.674021 0.3060 BFGS: 4139 16:30:17 2.669402 0.3057 BFGS: 4140 16:30:17 2.664788 0.3054 BFGS: 4141 16:30:17 2.660179 0.3052 BFGS: 4142 16:30:17 2.655576 0.3049 BFGS: 4143 16:30:17 2.650978 0.3046 BFGS: 4144 16:30:17 2.646385 0.3043 BFGS: 4145 16:30:17 2.641798 0.3040 BFGS: 4146 16:30:17 2.637216 0.3038 BFGS: 4147 16:30:17 2.632639 0.3035 BFGS: 4148 16:30:17 2.628067 0.3032 BFGS: 4149 16:30:17 2.623501 0.3029 BFGS: 4150 16:30:17 2.618940 0.3027 BFGS: 4151 16:30:17 2.614384 0.3024 BFGS: 4152 16:30:17 2.609833 0.3021 BFGS: 4153 16:30:17 2.605288 0.3018 BFGS: 4154 16:30:17 2.600748 0.3016 BFGS: 4155 16:30:17 2.596213 0.3013 BFGS: 4156 16:30:17 2.591683 0.3010 BFGS: 4157 16:30:17 2.587159 0.3008 BFGS: 4158 16:30:17 2.582640 0.3005 BFGS: 4159 16:30:17 2.578126 0.3002 BFGS: 4160 16:30:17 2.573617 0.2999 BFGS: 4161 16:30:17 2.569113 0.2997 BFGS: 4162 16:30:17 2.564615 0.2994 BFGS: 4163 16:30:17 2.560122 0.2991 BFGS: 4164 16:30:17 2.555634 0.2988 BFGS: 4165 16:30:17 2.551151 0.2986 BFGS: 4166 16:30:17 2.546674 0.2983 BFGS: 4167 16:30:17 2.542201 0.2980 BFGS: 4168 16:30:17 2.537734 0.2978 BFGS: 4169 16:30:17 2.533272 0.2975 BFGS: 4170 16:30:17 2.528815 0.2972 BFGS: 4171 16:30:17 2.524364 0.2969 BFGS: 4172 16:30:17 2.519917 0.2967 BFGS: 4173 16:30:17 2.515476 0.2964 BFGS: 4174 16:30:17 2.511040 0.2961 BFGS: 4175 16:30:17 2.506609 0.2959 BFGS: 4176 16:30:17 2.502183 0.2956 BFGS: 4177 16:30:17 2.497763 0.2953 BFGS: 4178 16:30:17 2.493347 0.2950 BFGS: 4179 16:30:17 2.488937 0.2948 BFGS: 4180 16:30:17 2.484532 0.2945 BFGS: 4181 16:30:17 2.480132 0.2942 BFGS: 4182 16:30:17 2.475737 0.2940 BFGS: 4183 16:30:17 2.471347 0.2937 BFGS: 4184 16:30:17 2.466963 0.2934 BFGS: 4185 16:30:17 2.462583 0.2932 BFGS: 4186 16:30:17 2.458209 0.2929 BFGS: 4187 16:30:17 2.453840 0.2926 BFGS: 4188 16:30:17 2.449476 0.2923 BFGS: 4189 16:30:17 2.445117 0.2921 BFGS: 4190 16:30:17 2.440763 0.2918 BFGS: 4191 16:30:17 2.436415 0.2915 BFGS: 4192 16:30:17 2.432071 0.2913 BFGS: 4193 16:30:17 2.427732 0.2910 BFGS: 4194 16:30:17 2.423399 0.2907 BFGS: 4195 16:30:17 2.419071 0.2905 BFGS: 4196 16:30:17 2.414748 0.2902 BFGS: 4197 16:30:17 2.410430 0.2899 BFGS: 4198 16:30:17 2.406117 0.2897 BFGS: 4199 16:30:17 2.401809 0.2894 BFGS: 4200 16:30:17 2.397506 0.2891 BFGS: 4201 16:30:17 2.393208 0.2889 BFGS: 4202 16:30:17 2.388915 0.2886 BFGS: 4203 16:30:17 2.384628 0.2883 BFGS: 4204 16:30:17 2.380345 0.2881 BFGS: 4205 16:30:17 2.376068 0.2878 BFGS: 4206 16:30:17 2.371795 0.2875 BFGS: 4207 16:30:17 2.367528 0.2873 BFGS: 4208 16:30:17 2.363266 0.2870 BFGS: 4209 16:30:17 2.359008 0.2867 BFGS: 4210 16:30:17 2.354756 0.2865 BFGS: 4211 16:30:17 2.350509 0.2862 BFGS: 4212 16:30:17 2.346267 0.2859 BFGS: 4213 16:30:17 2.342030 0.2857 BFGS: 4214 16:30:17 2.337798 0.2854 BFGS: 4215 16:30:17 2.333571 0.2851 BFGS: 4216 16:30:17 2.329349 0.2849 BFGS: 4217 16:30:17 2.325132 0.2846 BFGS: 4218 16:30:17 2.320920 0.2843 BFGS: 4219 16:30:17 2.316713 0.2841 BFGS: 4220 16:30:17 2.312511 0.2838 BFGS: 4221 16:30:17 2.308314 0.2836 BFGS: 4222 16:30:17 2.304122 0.2833 BFGS: 4223 16:30:17 2.299935 0.2830 BFGS: 4224 16:30:17 2.295753 0.2828 BFGS: 4225 16:30:17 2.291577 0.2825 BFGS: 4226 16:30:17 2.287405 0.2822 BFGS: 4227 16:30:17 2.283238 0.2820 BFGS: 4228 16:30:17 2.279076 0.2817 BFGS: 4229 16:30:17 2.274919 0.2815 BFGS: 4230 16:30:17 2.270767 0.2812 BFGS: 4231 16:30:17 2.266620 0.2809 BFGS: 4232 16:30:17 2.262478 0.2807 BFGS: 4233 16:30:17 2.258341 0.2804 BFGS: 4234 16:30:17 2.254209 0.2801 BFGS: 4235 16:30:17 2.250082 0.2799 BFGS: 4236 16:30:17 2.245960 0.2796 BFGS: 4237 16:30:17 2.241843 0.2794 BFGS: 4238 16:30:17 2.237730 0.2791 BFGS: 4239 16:30:17 2.233623 0.2788 BFGS: 4240 16:30:17 2.229521 0.2786 BFGS: 4241 16:30:17 2.225424 0.2783 BFGS: 4242 16:30:17 2.221331 0.2781 BFGS: 4243 16:30:17 2.217244 0.2778 BFGS: 4244 16:30:17 2.213161 0.2775 BFGS: 4245 16:30:17 2.209084 0.2773 BFGS: 4246 16:30:17 2.205011 0.2770 BFGS: 4247 16:30:17 2.200943 0.2767 BFGS: 4248 16:30:17 2.196880 0.2765 BFGS: 4249 16:30:17 2.192822 0.2762 BFGS: 4250 16:30:17 2.188770 0.2760 BFGS: 4251 16:30:17 2.184721 0.2757 BFGS: 4252 16:30:17 2.180678 0.2755 BFGS: 4253 16:30:17 2.176640 0.2752 BFGS: 4254 16:30:17 2.172607 0.2749 BFGS: 4255 16:30:17 2.168578 0.2747 BFGS: 4256 16:30:17 2.164555 0.2744 BFGS: 4257 16:30:17 2.160536 0.2742 BFGS: 4258 16:30:17 2.156522 0.2739 BFGS: 4259 16:30:17 2.152513 0.2736 BFGS: 4260 16:30:17 2.148509 0.2734 BFGS: 4261 16:30:17 2.144510 0.2731 BFGS: 4262 16:30:17 2.140516 0.2729 BFGS: 4263 16:30:17 2.136527 0.2726 BFGS: 4264 16:30:17 2.132542 0.2724 BFGS: 4265 16:30:17 2.128563 0.2721 BFGS: 4266 16:30:17 2.124588 0.2718 BFGS: 4267 16:30:17 2.120618 0.2716 BFGS: 4268 16:30:17 2.116653 0.2713 BFGS: 4269 16:30:17 2.112693 0.2711 BFGS: 4270 16:30:17 2.108738 0.2708 BFGS: 4271 16:30:17 2.104787 0.2706 BFGS: 4272 16:30:17 2.100841 0.2703 BFGS: 4273 16:30:17 2.096901 0.2700 BFGS: 4274 16:30:17 2.092965 0.2698 BFGS: 4275 16:30:17 2.089034 0.2695 BFGS: 4276 16:30:17 2.085107 0.2693 BFGS: 4277 16:30:17 2.081186 0.2690 BFGS: 4278 16:30:17 2.077269 0.2688 BFGS: 4279 16:30:17 2.073358 0.2685 BFGS: 4280 16:30:17 2.069451 0.2683 BFGS: 4281 16:30:17 2.065549 0.2680 BFGS: 4282 16:30:17 2.061651 0.2677 BFGS: 4283 16:30:17 2.057759 0.2675 BFGS: 4284 16:30:17 2.053871 0.2672 BFGS: 4285 16:30:17 2.049988 0.2670 BFGS: 4286 16:30:17 2.046110 0.2667 BFGS: 4287 16:30:17 2.042237 0.2665 BFGS: 4288 16:30:17 2.038368 0.2662 BFGS: 4289 16:30:17 2.034505 0.2660 BFGS: 4290 16:30:17 2.030646 0.2657 BFGS: 4291 16:30:17 2.026791 0.2655 BFGS: 4292 16:30:17 2.022942 0.2652 BFGS: 4293 16:30:17 2.019098 0.2650 BFGS: 4294 16:30:17 2.015258 0.2647 BFGS: 4295 16:30:17 2.011423 0.2644 BFGS: 4296 16:30:17 2.007593 0.2642 BFGS: 4297 16:30:17 2.003767 0.2639 BFGS: 4298 16:30:17 1.999946 0.2637 BFGS: 4299 16:30:17 1.996130 0.2634 BFGS: 4300 16:30:17 1.992319 0.2632 BFGS: 4301 16:30:17 1.988513 0.2629 BFGS: 4302 16:30:17 1.984711 0.2627 BFGS: 4303 16:30:17 1.980914 0.2624 BFGS: 4304 16:30:17 1.977122 0.2622 BFGS: 4305 16:30:17 1.973335 0.2619 BFGS: 4306 16:30:17 1.969552 0.2617 BFGS: 4307 16:30:17 1.965774 0.2614 BFGS: 4308 16:30:17 1.962001 0.2612 BFGS: 4309 16:30:17 1.958232 0.2609 BFGS: 4310 16:30:17 1.954468 0.2607 BFGS: 4311 16:30:17 1.950709 0.2604 BFGS: 4312 16:30:17 1.946955 0.2602 BFGS: 4313 16:30:17 1.943205 0.2599 BFGS: 4314 16:30:17 1.939461 0.2597 BFGS: 4315 16:30:17 1.935720 0.2594 BFGS: 4316 16:30:17 1.931985 0.2592 BFGS: 4317 16:30:17 1.928254 0.2589 BFGS: 4318 16:30:17 1.924528 0.2587 BFGS: 4319 16:30:17 1.920807 0.2584 BFGS: 4320 16:30:17 1.917090 0.2582 BFGS: 4321 16:30:17 1.913378 0.2579 BFGS: 4322 16:30:17 1.909671 0.2577 BFGS: 4323 16:30:17 1.905968 0.2574 BFGS: 4324 16:30:17 1.902270 0.2572 BFGS: 4325 16:30:18 1.898577 0.2569 BFGS: 4326 16:30:18 1.894889 0.2567 BFGS: 4327 16:30:18 1.891205 0.2564 BFGS: 4328 16:30:18 1.887526 0.2562 BFGS: 4329 16:30:18 1.883851 0.2559 BFGS: 4330 16:30:18 1.880181 0.2557 BFGS: 4331 16:30:18 1.876516 0.2554 BFGS: 4332 16:30:18 1.872856 0.2552 BFGS: 4333 16:30:18 1.869200 0.2549 BFGS: 4334 16:30:18 1.865549 0.2547 BFGS: 4335 16:30:18 1.861902 0.2544 BFGS: 4336 16:30:18 1.858260 0.2542 BFGS: 4337 16:30:18 1.854623 0.2540 BFGS: 4338 16:30:18 1.850990 0.2537 BFGS: 4339 16:30:18 1.847362 0.2535 BFGS: 4340 16:30:18 1.843739 0.2532 BFGS: 4341 16:30:18 1.840120 0.2530 BFGS: 4342 16:30:18 1.836506 0.2527 BFGS: 4343 16:30:18 1.832897 0.2525 BFGS: 4344 16:30:18 1.829292 0.2522 BFGS: 4345 16:30:18 1.825692 0.2520 BFGS: 4346 16:30:18 1.822096 0.2517 BFGS: 4347 16:30:18 1.818505 0.2515 BFGS: 4348 16:30:18 1.814919 0.2512 BFGS: 4349 16:30:18 1.811337 0.2510 BFGS: 4350 16:30:18 1.807760 0.2508 BFGS: 4351 16:30:18 1.804187 0.2505 BFGS: 4352 16:30:18 1.800619 0.2503 BFGS: 4353 16:30:18 1.797056 0.2500 BFGS: 4354 16:30:18 1.793497 0.2498 BFGS: 4355 16:30:18 1.789943 0.2495 BFGS: 4356 16:30:18 1.786394 0.2493 BFGS: 4357 16:30:18 1.782849 0.2490 BFGS: 4358 16:30:18 1.779308 0.2488 BFGS: 4359 16:30:18 1.775773 0.2486 BFGS: 4360 16:30:18 1.772241 0.2483 BFGS: 4361 16:30:18 1.768715 0.2481 BFGS: 4362 16:30:18 1.765193 0.2478 BFGS: 4363 16:30:18 1.761675 0.2476 BFGS: 4364 16:30:18 1.758162 0.2473 BFGS: 4365 16:30:18 1.754654 0.2471 BFGS: 4366 16:30:18 1.751150 0.2468 BFGS: 4367 16:30:18 1.747651 0.2466 BFGS: 4368 16:30:18 1.744156 0.2464 BFGS: 4369 16:30:18 1.740666 0.2461 BFGS: 4370 16:30:18 1.737180 0.2459 BFGS: 4371 16:30:18 1.733699 0.2456 BFGS: 4372 16:30:18 1.730223 0.2454 BFGS: 4373 16:30:18 1.726751 0.2452 BFGS: 4374 16:30:18 1.723283 0.2449 BFGS: 4375 16:30:18 1.719820 0.2447 BFGS: 4376 16:30:18 1.716362 0.2444 BFGS: 4377 16:30:18 1.712908 0.2442 BFGS: 4378 16:30:18 1.709459 0.2439 BFGS: 4379 16:30:18 1.706014 0.2437 BFGS: 4380 16:30:18 1.702574 0.2435 BFGS: 4381 16:30:18 1.699138 0.2432 BFGS: 4382 16:30:18 1.695707 0.2430 BFGS: 4383 16:30:18 1.692280 0.2427 BFGS: 4384 16:30:18 1.688858 0.2425 BFGS: 4385 16:30:18 1.685440 0.2423 BFGS: 4386 16:30:18 1.682027 0.2420 BFGS: 4387 16:30:18 1.678618 0.2418 BFGS: 4388 16:30:18 1.675214 0.2415 BFGS: 4389 16:30:18 1.671814 0.2413 BFGS: 4390 16:30:18 1.668419 0.2411 BFGS: 4391 16:30:18 1.665028 0.2408 BFGS: 4392 16:30:18 1.661642 0.2406 BFGS: 4393 16:30:18 1.658260 0.2403 BFGS: 4394 16:30:18 1.654883 0.2401 BFGS: 4395 16:30:18 1.651510 0.2399 BFGS: 4396 16:30:18 1.648141 0.2396 BFGS: 4397 16:30:18 1.644777 0.2394 BFGS: 4398 16:30:18 1.641418 0.2391 BFGS: 4399 16:30:18 1.638063 0.2389 BFGS: 4400 16:30:18 1.634713 0.2387 BFGS: 4401 16:30:18 1.631366 0.2384 BFGS: 4402 16:30:18 1.628025 0.2382 BFGS: 4403 16:30:18 1.624688 0.2380 BFGS: 4404 16:30:18 1.621355 0.2377 BFGS: 4405 16:30:18 1.618027 0.2375 BFGS: 4406 16:30:18 1.614703 0.2372 BFGS: 4407 16:30:18 1.611384 0.2370 BFGS: 4408 16:30:18 1.608069 0.2368 BFGS: 4409 16:30:18 1.604758 0.2365 BFGS: 4410 16:30:18 1.601452 0.2363 BFGS: 4411 16:30:18 1.598151 0.2361 BFGS: 4412 16:30:18 1.594853 0.2358 BFGS: 4413 16:30:18 1.591561 0.2356 BFGS: 4414 16:30:18 1.588272 0.2353 BFGS: 4415 16:30:18 1.584988 0.2351 BFGS: 4416 16:30:18 1.581709 0.2349 BFGS: 4417 16:30:18 1.578434 0.2346 BFGS: 4418 16:30:18 1.575163 0.2344 BFGS: 4419 16:30:18 1.571897 0.2342 BFGS: 4420 16:30:18 1.568635 0.2339 BFGS: 4421 16:30:18 1.565377 0.2337 BFGS: 4422 16:30:18 1.562124 0.2335 BFGS: 4423 16:30:18 1.558876 0.2332 BFGS: 4424 16:30:18 1.555631 0.2330 BFGS: 4425 16:30:18 1.552392 0.2327 BFGS: 4426 16:30:18 1.549156 0.2325 BFGS: 4427 16:30:18 1.545925 0.2323 BFGS: 4428 16:30:18 1.542698 0.2320 BFGS: 4429 16:30:18 1.539476 0.2318 BFGS: 4430 16:30:18 1.536258 0.2316 BFGS: 4431 16:30:18 1.533044 0.2313 BFGS: 4432 16:30:18 1.529835 0.2311 BFGS: 4433 16:30:18 1.526630 0.2309 BFGS: 4434 16:30:18 1.523430 0.2306 BFGS: 4435 16:30:18 1.520233 0.2304 BFGS: 4436 16:30:18 1.517042 0.2302 BFGS: 4437 16:30:18 1.513854 0.2299 BFGS: 4438 16:30:18 1.510671 0.2297 BFGS: 4439 16:30:18 1.507492 0.2295 BFGS: 4440 16:30:18 1.504318 0.2292 BFGS: 4441 16:30:18 1.501148 0.2290 BFGS: 4442 16:30:18 1.497982 0.2288 BFGS: 4443 16:30:18 1.494821 0.2285 BFGS: 4444 16:30:18 1.491664 0.2283 BFGS: 4445 16:30:18 1.488511 0.2281 BFGS: 4446 16:30:18 1.485363 0.2278 BFGS: 4447 16:30:18 1.482219 0.2276 BFGS: 4448 16:30:18 1.479079 0.2274 BFGS: 4449 16:30:18 1.475944 0.2271 BFGS: 4450 16:30:18 1.472813 0.2269 BFGS: 4451 16:30:18 1.469686 0.2267 BFGS: 4452 16:30:18 1.466564 0.2264 BFGS: 4453 16:30:18 1.463446 0.2262 BFGS: 4454 16:30:18 1.460332 0.2260 BFGS: 4455 16:30:18 1.457223 0.2258 BFGS: 4456 16:30:18 1.454118 0.2255 BFGS: 4457 16:30:18 1.451017 0.2253 BFGS: 4458 16:30:18 1.447920 0.2251 BFGS: 4459 16:30:18 1.444828 0.2248 BFGS: 4460 16:30:18 1.441740 0.2246 BFGS: 4461 16:30:18 1.438656 0.2244 BFGS: 4462 16:30:18 1.435577 0.2241 BFGS: 4463 16:30:18 1.432502 0.2239 BFGS: 4464 16:30:18 1.429431 0.2237 BFGS: 4465 16:30:18 1.426364 0.2234 BFGS: 4466 16:30:18 1.423302 0.2232 BFGS: 4467 16:30:18 1.420244 0.2230 BFGS: 4468 16:30:18 1.417191 0.2228 BFGS: 4469 16:30:18 1.414141 0.2225 BFGS: 4470 16:30:18 1.411096 0.2223 BFGS: 4471 16:30:18 1.408055 0.2221 BFGS: 4472 16:30:18 1.405018 0.2218 BFGS: 4473 16:30:18 1.401986 0.2216 BFGS: 4474 16:30:18 1.398958 0.2214 BFGS: 4475 16:30:18 1.395934 0.2212 BFGS: 4476 16:30:18 1.392914 0.2209 BFGS: 4477 16:30:18 1.389899 0.2207 BFGS: 4478 16:30:18 1.386888 0.2205 BFGS: 4479 16:30:18 1.383881 0.2202 BFGS: 4480 16:30:18 1.380878 0.2200 BFGS: 4481 16:30:18 1.377880 0.2198 BFGS: 4482 16:30:18 1.374886 0.2196 BFGS: 4483 16:30:18 1.371896 0.2193 BFGS: 4484 16:30:18 1.368910 0.2191 BFGS: 4485 16:30:18 1.365929 0.2189 BFGS: 4486 16:30:18 1.362951 0.2186 BFGS: 4487 16:30:18 1.359978 0.2184 BFGS: 4488 16:30:18 1.357009 0.2182 BFGS: 4489 16:30:18 1.354045 0.2180 BFGS: 4490 16:30:18 1.351085 0.2177 BFGS: 4491 16:30:18 1.348128 0.2175 BFGS: 4492 16:30:18 1.345176 0.2173 BFGS: 4493 16:30:18 1.342229 0.2171 BFGS: 4494 16:30:18 1.339285 0.2168 BFGS: 4495 16:30:18 1.336346 0.2166 BFGS: 4496 16:30:18 1.333410 0.2164 BFGS: 4497 16:30:18 1.330480 0.2162 BFGS: 4498 16:30:18 1.327553 0.2159 BFGS: 4499 16:30:18 1.324630 0.2157 BFGS: 4500 16:30:18 1.321712 0.2155 BFGS: 4501 16:30:18 1.318798 0.2152 BFGS: 4502 16:30:18 1.315888 0.2150 BFGS: 4503 16:30:18 1.312982 0.2148 BFGS: 4504 16:30:18 1.310080 0.2146 BFGS: 4505 16:30:18 1.307182 0.2143 BFGS: 4506 16:30:18 1.304289 0.2141 BFGS: 4507 16:30:18 1.301400 0.2139 BFGS: 4508 16:30:18 1.298515 0.2137 BFGS: 4509 16:30:18 1.295634 0.2134 BFGS: 4510 16:30:18 1.292757 0.2132 BFGS: 4511 16:30:18 1.289885 0.2130 BFGS: 4512 16:30:18 1.287017 0.2128 BFGS: 4513 16:30:18 1.284152 0.2126 BFGS: 4514 16:30:18 1.281292 0.2123 BFGS: 4515 16:30:18 1.278436 0.2121 BFGS: 4516 16:30:18 1.275585 0.2119 BFGS: 4517 16:30:18 1.272737 0.2117 BFGS: 4518 16:30:18 1.269893 0.2114 BFGS: 4519 16:30:18 1.267054 0.2112 BFGS: 4520 16:30:18 1.264219 0.2110 BFGS: 4521 16:30:18 1.261388 0.2108 BFGS: 4522 16:30:18 1.258561 0.2105 BFGS: 4523 16:30:18 1.255738 0.2103 BFGS: 4524 16:30:18 1.252919 0.2101 BFGS: 4525 16:30:19 1.250105 0.2099 BFGS: 4526 16:30:19 1.247294 0.2096 BFGS: 4527 16:30:19 1.244488 0.2094 BFGS: 4528 16:30:19 1.241686 0.2092 BFGS: 4529 16:30:19 1.238888 0.2090 BFGS: 4530 16:30:19 1.236094 0.2088 BFGS: 4531 16:30:19 1.233304 0.2085 BFGS: 4532 16:30:19 1.230518 0.2083 BFGS: 4533 16:30:19 1.227736 0.2081 BFGS: 4534 16:30:19 1.224959 0.2079 BFGS: 4535 16:30:19 1.222185 0.2077 BFGS: 4536 16:30:19 1.219416 0.2074 BFGS: 4537 16:30:19 1.216650 0.2072 BFGS: 4538 16:30:19 1.213889 0.2070 BFGS: 4539 16:30:19 1.211132 0.2068 BFGS: 4540 16:30:19 1.208379 0.2065 BFGS: 4541 16:30:19 1.205630 0.2063 BFGS: 4542 16:30:19 1.202885 0.2061 BFGS: 4543 16:30:19 1.200144 0.2059 BFGS: 4544 16:30:19 1.197407 0.2057 BFGS: 4545 16:30:19 1.194675 0.2054 BFGS: 4546 16:30:19 1.191946 0.2052 BFGS: 4547 16:30:19 1.189222 0.2050 BFGS: 4548 16:30:19 1.186501 0.2048 BFGS: 4549 16:30:19 1.183785 0.2046 BFGS: 4550 16:30:19 1.181072 0.2043 BFGS: 4551 16:30:19 1.178364 0.2041 BFGS: 4552 16:30:19 1.175660 0.2039 BFGS: 4553 16:30:19 1.172959 0.2037 BFGS: 4554 16:30:19 1.170263 0.2035 BFGS: 4555 16:30:19 1.167571 0.2032 BFGS: 4556 16:30:19 1.164883 0.2030 BFGS: 4557 16:30:19 1.162199 0.2028 BFGS: 4558 16:30:19 1.159519 0.2026 BFGS: 4559 16:30:19 1.156843 0.2024 BFGS: 4560 16:30:19 1.154171 0.2022 BFGS: 4561 16:30:19 1.151503 0.2019 BFGS: 4562 16:30:19 1.148839 0.2017 BFGS: 4563 16:30:19 1.146179 0.2015 BFGS: 4564 16:30:19 1.143524 0.2013 BFGS: 4565 16:30:19 1.140872 0.2011 BFGS: 4566 16:30:19 1.138224 0.2008 BFGS: 4567 16:30:19 1.135580 0.2006 BFGS: 4568 16:30:19 1.132940 0.2004 BFGS: 4569 16:30:19 1.130305 0.2002 BFGS: 4570 16:30:19 1.127673 0.2000 BFGS: 4571 16:30:19 1.125045 0.1998 BFGS: 4572 16:30:19 1.122421 0.1995 BFGS: 4573 16:30:19 1.119802 0.1993 BFGS: 4574 16:30:19 1.117186 0.1991 BFGS: 4575 16:30:19 1.114574 0.1989 BFGS: 4576 16:30:19 1.111966 0.1987 BFGS: 4577 16:30:19 1.109362 0.1985 BFGS: 4578 16:30:19 1.106763 0.1982 BFGS: 4579 16:30:19 1.104167 0.1980 BFGS: 4580 16:30:19 1.101575 0.1978 BFGS: 4581 16:30:19 1.098987 0.1976 BFGS: 4582 16:30:19 1.096403 0.1974 BFGS: 4583 16:30:19 1.093823 0.1972 BFGS: 4584 16:30:19 1.091247 0.1969 BFGS: 4585 16:30:19 1.088676 0.1967 BFGS: 4586 16:30:19 1.086108 0.1965 BFGS: 4587 16:30:19 1.083544 0.1963 BFGS: 4588 16:30:19 1.080983 0.1961 BFGS: 4589 16:30:19 1.078427 0.1959 BFGS: 4590 16:30:19 1.075875 0.1957 BFGS: 4591 16:30:19 1.073327 0.1954 BFGS: 4592 16:30:19 1.070783 0.1952 BFGS: 4593 16:30:19 1.068242 0.1950 BFGS: 4594 16:30:19 1.065706 0.1948 BFGS: 4595 16:30:19 1.063174 0.1946 BFGS: 4596 16:30:19 1.060645 0.1944 BFGS: 4597 16:30:19 1.058121 0.1941 BFGS: 4598 16:30:19 1.055600 0.1939 BFGS: 4599 16:30:19 1.053084 0.1937 BFGS: 4600 16:30:19 1.050571 0.1935 BFGS: 4601 16:30:19 1.048062 0.1933 BFGS: 4602 16:30:19 1.045557 0.1931 BFGS: 4603 16:30:19 1.043056 0.1929 BFGS: 4604 16:30:19 1.040559 0.1927 BFGS: 4605 16:30:19 1.038066 0.1924 BFGS: 4606 16:30:19 1.035577 0.1922 BFGS: 4607 16:30:19 1.033092 0.1920 BFGS: 4608 16:30:19 1.030610 0.1918 BFGS: 4609 16:30:19 1.028133 0.1916 BFGS: 4610 16:30:19 1.025660 0.1914 BFGS: 4611 16:30:19 1.023190 0.1912 BFGS: 4612 16:30:19 1.020724 0.1909 BFGS: 4613 16:30:19 1.018262 0.1907 BFGS: 4614 16:30:19 1.015805 0.1905 BFGS: 4615 16:30:19 1.013350 0.1903 BFGS: 4616 16:30:19 1.010900 0.1901 BFGS: 4617 16:30:19 1.008454 0.1899 BFGS: 4618 16:30:19 1.006012 0.1897 BFGS: 4619 16:30:19 1.003573 0.1895 BFGS: 4620 16:30:19 1.001139 0.1893 BFGS: 4621 16:30:19 0.998708 0.1890 BFGS: 4622 16:30:19 0.996281 0.1888 BFGS: 4623 16:30:19 0.993858 0.1886 BFGS: 4624 16:30:19 0.991439 0.1884 BFGS: 4625 16:30:19 0.989024 0.1882 BFGS: 4626 16:30:19 0.986613 0.1880 BFGS: 4627 16:30:19 0.984205 0.1878 BFGS: 4628 16:30:19 0.981802 0.1876 BFGS: 4629 16:30:19 0.979402 0.1874 BFGS: 4630 16:30:19 0.977006 0.1871 BFGS: 4631 16:30:19 0.974614 0.1869 BFGS: 4632 16:30:19 0.972226 0.1867 BFGS: 4633 16:30:19 0.969842 0.1865 BFGS: 4634 16:30:19 0.967461 0.1863 BFGS: 4635 16:30:19 0.965085 0.1861 BFGS: 4636 16:30:19 0.962712 0.1859 BFGS: 4637 16:30:19 0.960343 0.1857 BFGS: 4638 16:30:19 0.957978 0.1855 BFGS: 4639 16:30:19 0.955617 0.1853 BFGS: 4640 16:30:19 0.953259 0.1850 BFGS: 4641 16:30:19 0.950906 0.1848 BFGS: 4642 16:30:19 0.948556 0.1846 BFGS: 4643 16:30:19 0.946210 0.1844 BFGS: 4644 16:30:19 0.943868 0.1842 BFGS: 4645 16:30:19 0.941530 0.1840 BFGS: 4646 16:30:19 0.939195 0.1838 BFGS: 4647 16:30:19 0.936865 0.1836 BFGS: 4648 16:30:19 0.934538 0.1834 BFGS: 4649 16:30:19 0.932215 0.1832 BFGS: 4650 16:30:19 0.929896 0.1830 BFGS: 4651 16:30:19 0.927581 0.1827 BFGS: 4652 16:30:19 0.925269 0.1825 BFGS: 4653 16:30:19 0.922961 0.1823 BFGS: 4654 16:30:19 0.920657 0.1821 BFGS: 4655 16:30:19 0.918357 0.1819 BFGS: 4656 16:30:19 0.916061 0.1817 BFGS: 4657 16:30:19 0.913768 0.1815 BFGS: 4658 16:30:19 0.911480 0.1813 BFGS: 4659 16:30:19 0.909195 0.1811 BFGS: 4660 16:30:19 0.906914 0.1809 BFGS: 4661 16:30:19 0.904636 0.1807 BFGS: 4662 16:30:19 0.902363 0.1805 BFGS: 4663 16:30:19 0.900093 0.1803 BFGS: 4664 16:30:19 0.897827 0.1800 BFGS: 4665 16:30:19 0.895564 0.1798 BFGS: 4666 16:30:19 0.893306 0.1796 BFGS: 4667 16:30:19 0.891051 0.1794 BFGS: 4668 16:30:19 0.888800 0.1792 BFGS: 4669 16:30:19 0.886553 0.1790 BFGS: 4670 16:30:19 0.884310 0.1788 BFGS: 4671 16:30:19 0.882070 0.1786 BFGS: 4672 16:30:19 0.879834 0.1784 BFGS: 4673 16:30:19 0.877602 0.1782 BFGS: 4674 16:30:19 0.875374 0.1780 BFGS: 4675 16:30:19 0.873149 0.1778 BFGS: 4676 16:30:19 0.870928 0.1776 BFGS: 4677 16:30:19 0.868711 0.1774 BFGS: 4678 16:30:19 0.866498 0.1772 BFGS: 4679 16:30:19 0.864288 0.1770 BFGS: 4680 16:30:19 0.862082 0.1768 BFGS: 4681 16:30:19 0.859880 0.1765 BFGS: 4682 16:30:19 0.857682 0.1763 BFGS: 4683 16:30:19 0.855487 0.1761 BFGS: 4684 16:30:19 0.853296 0.1759 BFGS: 4685 16:30:19 0.851109 0.1757 BFGS: 4686 16:30:19 0.848926 0.1755 BFGS: 4687 16:30:19 0.846746 0.1753 BFGS: 4688 16:30:19 0.844570 0.1751 BFGS: 4689 16:30:19 0.842397 0.1749 BFGS: 4690 16:30:19 0.840229 0.1747 BFGS: 4691 16:30:19 0.838064 0.1745 BFGS: 4692 16:30:19 0.835903 0.1743 BFGS: 4693 16:30:19 0.833745 0.1741 BFGS: 4694 16:30:19 0.831592 0.1739 BFGS: 4695 16:30:19 0.829442 0.1737 BFGS: 4696 16:30:19 0.827295 0.1735 BFGS: 4697 16:30:19 0.825153 0.1733 BFGS: 4698 16:30:19 0.823014 0.1731 BFGS: 4699 16:30:19 0.820879 0.1729 BFGS: 4700 16:30:19 0.818747 0.1727 BFGS: 4701 16:30:19 0.816619 0.1725 BFGS: 4702 16:30:19 0.814495 0.1723 BFGS: 4703 16:30:19 0.812375 0.1721 BFGS: 4704 16:30:19 0.810258 0.1719 BFGS: 4705 16:30:19 0.808145 0.1717 BFGS: 4706 16:30:19 0.806036 0.1715 BFGS: 4707 16:30:19 0.803930 0.1713 BFGS: 4708 16:30:19 0.801828 0.1711 BFGS: 4709 16:30:19 0.799730 0.1709 BFGS: 4710 16:30:19 0.797635 0.1707 BFGS: 4711 16:30:19 0.795544 0.1704 BFGS: 4712 16:30:19 0.793457 0.1702 BFGS: 4713 16:30:19 0.791373 0.1700 BFGS: 4714 16:30:19 0.789293 0.1698 BFGS: 4715 16:30:19 0.787217 0.1696 BFGS: 4716 16:30:19 0.785144 0.1694 BFGS: 4717 16:30:19 0.783075 0.1692 BFGS: 4718 16:30:19 0.781009 0.1690 BFGS: 4719 16:30:19 0.778948 0.1688 BFGS: 4720 16:30:19 0.776890 0.1686 BFGS: 4721 16:30:19 0.774835 0.1684 BFGS: 4722 16:30:19 0.772785 0.1682 BFGS: 4723 16:30:19 0.770737 0.1680 BFGS: 4724 16:30:20 0.768694 0.1678 BFGS: 4725 16:30:20 0.766654 0.1676 BFGS: 4726 16:30:20 0.764618 0.1674 BFGS: 4727 16:30:20 0.762585 0.1672 BFGS: 4728 16:30:20 0.760556 0.1670 BFGS: 4729 16:30:20 0.758531 0.1668 BFGS: 4730 16:30:20 0.756509 0.1666 BFGS: 4731 16:30:20 0.754491 0.1664 BFGS: 4732 16:30:20 0.752477 0.1662 BFGS: 4733 16:30:20 0.750466 0.1660 BFGS: 4734 16:30:20 0.748459 0.1658 BFGS: 4735 16:30:20 0.746455 0.1656 BFGS: 4736 16:30:20 0.744456 0.1654 BFGS: 4737 16:30:20 0.742459 0.1652 BFGS: 4738 16:30:20 0.740466 0.1650 BFGS: 4739 16:30:20 0.738477 0.1648 BFGS: 4740 16:30:20 0.736492 0.1646 BFGS: 4741 16:30:20 0.734510 0.1644 BFGS: 4742 16:30:20 0.732532 0.1642 BFGS: 4743 16:30:20 0.730557 0.1640 BFGS: 4744 16:30:20 0.728586 0.1638 BFGS: 4745 16:30:20 0.726618 0.1636 BFGS: 4746 16:30:20 0.724654 0.1634 BFGS: 4747 16:30:20 0.722694 0.1633 BFGS: 4748 16:30:20 0.720737 0.1631 BFGS: 4749 16:30:20 0.718784 0.1629 BFGS: 4750 16:30:20 0.716835 0.1627 BFGS: 4751 16:30:20 0.714889 0.1625 BFGS: 4752 16:30:20 0.712946 0.1623 BFGS: 4753 16:30:20 0.711007 0.1621 BFGS: 4754 16:30:20 0.709072 0.1619 BFGS: 4755 16:30:20 0.707141 0.1617 BFGS: 4756 16:30:20 0.705212 0.1615 BFGS: 4757 16:30:20 0.703288 0.1613 BFGS: 4758 16:30:20 0.701367 0.1611 BFGS: 4759 16:30:20 0.699450 0.1609 BFGS: 4760 16:30:20 0.697536 0.1607 BFGS: 4761 16:30:20 0.695625 0.1605 BFGS: 4762 16:30:20 0.693719 0.1603 BFGS: 4763 16:30:20 0.691816 0.1601 BFGS: 4764 16:30:20 0.689916 0.1599 BFGS: 4765 16:30:20 0.688020 0.1597 BFGS: 4766 16:30:20 0.686127 0.1595 BFGS: 4767 16:30:20 0.684238 0.1593 BFGS: 4768 16:30:20 0.682353 0.1591 BFGS: 4769 16:30:20 0.680471 0.1589 BFGS: 4770 16:30:20 0.678593 0.1587 BFGS: 4771 16:30:20 0.676718 0.1585 BFGS: 4772 16:30:20 0.674847 0.1583 BFGS: 4773 16:30:20 0.672979 0.1581 BFGS: 4774 16:30:20 0.671115 0.1579 BFGS: 4775 16:30:20 0.669254 0.1577 BFGS: 4776 16:30:20 0.667397 0.1575 BFGS: 4777 16:30:20 0.665543 0.1574 BFGS: 4778 16:30:20 0.663693 0.1572 BFGS: 4779 16:30:20 0.661847 0.1570 BFGS: 4780 16:30:20 0.660004 0.1568 BFGS: 4781 16:30:20 0.658164 0.1566 BFGS: 4782 16:30:20 0.656328 0.1564 BFGS: 4783 16:30:20 0.654496 0.1562 BFGS: 4784 16:30:20 0.652667 0.1560 BFGS: 4785 16:30:20 0.650841 0.1558 BFGS: 4786 16:30:20 0.649019 0.1556 BFGS: 4787 16:30:20 0.647201 0.1554 BFGS: 4788 16:30:20 0.645386 0.1552 BFGS: 4789 16:30:20 0.643574 0.1550 BFGS: 4790 16:30:20 0.641766 0.1548 BFGS: 4791 16:30:20 0.639962 0.1546 BFGS: 4792 16:30:20 0.638161 0.1544 BFGS: 4793 16:30:20 0.636363 0.1542 BFGS: 4794 16:30:20 0.634569 0.1541 BFGS: 4795 16:30:20 0.632779 0.1539 BFGS: 4796 16:30:20 0.630992 0.1537 BFGS: 4797 16:30:20 0.629208 0.1535 BFGS: 4798 16:30:20 0.627428 0.1533 BFGS: 4799 16:30:20 0.625652 0.1531 BFGS: 4800 16:30:20 0.623879 0.1529 BFGS: 4801 16:30:20 0.622109 0.1527 BFGS: 4802 16:30:20 0.620343 0.1525 BFGS: 4803 16:30:20 0.618580 0.1523 BFGS: 4804 16:30:20 0.616821 0.1521 BFGS: 4805 16:30:20 0.615065 0.1519 BFGS: 4806 16:30:20 0.613313 0.1517 BFGS: 4807 16:30:20 0.611564 0.1515 BFGS: 4808 16:30:20 0.609819 0.1514 BFGS: 4809 16:30:20 0.608077 0.1512 BFGS: 4810 16:30:20 0.606338 0.1510 BFGS: 4811 16:30:20 0.604603 0.1508 BFGS: 4812 16:30:20 0.602872 0.1506 BFGS: 4813 16:30:20 0.601143 0.1504 BFGS: 4814 16:30:20 0.599419 0.1502 BFGS: 4815 16:30:20 0.597698 0.1500 BFGS: 4816 16:30:20 0.595980 0.1498 BFGS: 4817 16:30:20 0.594265 0.1496 BFGS: 4818 16:30:20 0.592555 0.1494 BFGS: 4819 16:30:20 0.590847 0.1492 BFGS: 4820 16:30:20 0.589143 0.1491 BFGS: 4821 16:30:20 0.587442 0.1489 BFGS: 4822 16:30:20 0.585745 0.1487 BFGS: 4823 16:30:20 0.584051 0.1485 BFGS: 4824 16:30:20 0.582361 0.1483 BFGS: 4825 16:30:20 0.580674 0.1481 BFGS: 4826 16:30:20 0.578991 0.1479 BFGS: 4827 16:30:20 0.577311 0.1477 BFGS: 4828 16:30:20 0.575634 0.1475 BFGS: 4829 16:30:20 0.573961 0.1473 BFGS: 4830 16:30:20 0.572291 0.1471 BFGS: 4831 16:30:20 0.570625 0.1470 BFGS: 4832 16:30:20 0.568962 0.1468 BFGS: 4833 16:30:20 0.567302 0.1466 BFGS: 4834 16:30:20 0.565646 0.1464 BFGS: 4835 16:30:20 0.563993 0.1462 BFGS: 4836 16:30:20 0.562344 0.1460 BFGS: 4837 16:30:20 0.560698 0.1458 BFGS: 4838 16:30:20 0.559055 0.1456 BFGS: 4839 16:30:20 0.557416 0.1454 BFGS: 4840 16:30:20 0.555780 0.1453 BFGS: 4841 16:30:20 0.554148 0.1451 BFGS: 4842 16:30:20 0.552519 0.1449 BFGS: 4843 16:30:20 0.550893 0.1447 BFGS: 4844 16:30:20 0.549271 0.1445 BFGS: 4845 16:30:20 0.547652 0.1443 BFGS: 4846 16:30:20 0.546036 0.1441 BFGS: 4847 16:30:20 0.544424 0.1439 BFGS: 4848 16:30:20 0.542816 0.1437 BFGS: 4849 16:30:20 0.541210 0.1436 BFGS: 4850 16:30:20 0.539608 0.1434 BFGS: 4851 16:30:20 0.538010 0.1432 BFGS: 4852 16:30:20 0.536414 0.1430 BFGS: 4853 16:30:20 0.534822 0.1428 BFGS: 4854 16:30:20 0.533234 0.1426 BFGS: 4855 16:30:20 0.531649 0.1424 BFGS: 4856 16:30:20 0.530067 0.1422 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0.1370 BFGS: 4885 16:30:20 0.485646 0.1368 BFGS: 4886 16:30:20 0.484164 0.1367 BFGS: 4887 16:30:20 0.482685 0.1365 BFGS: 4888 16:30:20 0.481210 0.1363 BFGS: 4889 16:30:20 0.479738 0.1361 BFGS: 4890 16:30:20 0.478269 0.1359 BFGS: 4891 16:30:20 0.476804 0.1357 BFGS: 4892 16:30:20 0.475341 0.1355 BFGS: 4893 16:30:20 0.473882 0.1354 BFGS: 4894 16:30:20 0.472427 0.1352 BFGS: 4895 16:30:20 0.470974 0.1350 BFGS: 4896 16:30:20 0.469525 0.1348 BFGS: 4897 16:30:20 0.468079 0.1346 BFGS: 4898 16:30:20 0.466637 0.1344 BFGS: 4899 16:30:20 0.465197 0.1343 BFGS: 4900 16:30:20 0.463761 0.1341 BFGS: 4901 16:30:20 0.462328 0.1339 BFGS: 4902 16:30:20 0.460899 0.1337 BFGS: 4903 16:30:20 0.459473 0.1335 BFGS: 4904 16:30:20 0.458050 0.1333 BFGS: 4905 16:30:20 0.456630 0.1332 BFGS: 4906 16:30:20 0.455213 0.1330 BFGS: 4907 16:30:20 0.453800 0.1328 BFGS: 4908 16:30:20 0.452390 0.1326 BFGS: 4909 16:30:20 0.450984 0.1324 BFGS: 4910 16:30:20 0.449580 0.1322 BFGS: 4911 16:30:20 0.448180 0.1321 BFGS: 4912 16:30:20 0.446783 0.1319 BFGS: 4913 16:30:20 0.445389 0.1317 BFGS: 4914 16:30:20 0.443999 0.1315 BFGS: 4915 16:30:20 0.442611 0.1313 BFGS: 4916 16:30:20 0.441227 0.1312 BFGS: 4917 16:30:20 0.439847 0.1310 BFGS: 4918 16:30:20 0.438469 0.1308 BFGS: 4919 16:30:20 0.437095 0.1306 BFGS: 4920 16:30:20 0.435724 0.1304 BFGS: 4921 16:30:20 0.434356 0.1302 BFGS: 4922 16:30:20 0.432991 0.1301 BFGS: 4923 16:30:20 0.431630 0.1299 BFGS: 4924 16:30:21 0.430272 0.1297 BFGS: 4925 16:30:21 0.428917 0.1295 BFGS: 4926 16:30:21 0.427565 0.1293 BFGS: 4927 16:30:21 0.426216 0.1292 BFGS: 4928 16:30:21 0.424871 0.1290 BFGS: 4929 16:30:21 0.423529 0.1288 BFGS: 4930 16:30:21 0.422190 0.1286 BFGS: 4931 16:30:21 0.420854 0.1284 BFGS: 4932 16:30:21 0.419522 0.1282 BFGS: 4933 16:30:21 0.418193 0.1281 BFGS: 4934 16:30:21 0.416867 0.1279 BFGS: 4935 16:30:21 0.415544 0.1277 BFGS: 4936 16:30:21 0.414224 0.1275 BFGS: 4937 16:30:21 0.412907 0.1273 BFGS: 4938 16:30:21 0.411594 0.1272 BFGS: 4939 16:30:21 0.410284 0.1270 BFGS: 4940 16:30:21 0.408977 0.1268 BFGS: 4941 16:30:21 0.407673 0.1266 BFGS: 4942 16:30:21 0.406373 0.1264 BFGS: 4943 16:30:21 0.405076 0.1263 BFGS: 4944 16:30:21 0.403781 0.1261 BFGS: 4945 16:30:21 0.402490 0.1259 BFGS: 4946 16:30:21 0.401203 0.1257 BFGS: 4947 16:30:21 0.399918 0.1255 BFGS: 4948 16:30:21 0.398636 0.1254 BFGS: 4949 16:30:21 0.397358 0.1252 BFGS: 4950 16:30:21 0.396083 0.1250 BFGS: 4951 16:30:21 0.394811 0.1248 BFGS: 4952 16:30:21 0.393542 0.1247 BFGS: 4953 16:30:21 0.392277 0.1245 BFGS: 4954 16:30:21 0.391014 0.1243 BFGS: 4955 16:30:21 0.389755 0.1241 BFGS: 4956 16:30:21 0.388499 0.1239 BFGS: 4957 16:30:21 0.387246 0.1238 BFGS: 4958 16:30:21 0.385996 0.1236 BFGS: 4959 16:30:21 0.384749 0.1234 BFGS: 4960 16:30:21 0.383506 0.1232 BFGS: 4961 16:30:21 0.382265 0.1230 BFGS: 4962 16:30:21 0.381028 0.1229 BFGS: 4963 16:30:21 0.379794 0.1227 BFGS: 4964 16:30:21 0.378563 0.1225 BFGS: 4965 16:30:21 0.377335 0.1223 BFGS: 4966 16:30:21 0.376111 0.1222 BFGS: 4967 16:30:21 0.374889 0.1220 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0.1170 BFGS: 4996 16:30:21 0.340820 0.1169 BFGS: 4997 16:30:21 0.339692 0.1167 BFGS: 4998 16:30:21 0.338567 0.1165 BFGS: 4999 16:30:21 0.337445 0.1163 BFGS: 5000 16:30:21 0.336326 0.1162 BFGS: 5001 16:30:21 0.335210 0.1160 BFGS: 5002 16:30:21 0.334097 0.1158 BFGS: 5003 16:30:21 0.332987 0.1156 BFGS: 5004 16:30:21 0.331880 0.1155 BFGS: 5005 16:30:21 0.330776 0.1153 BFGS: 5006 16:30:21 0.329675 0.1151 BFGS: 5007 16:30:21 0.328578 0.1149 BFGS: 5008 16:30:21 0.327483 0.1148 BFGS: 5009 16:30:21 0.326392 0.1146 BFGS: 5010 16:30:21 0.325303 0.1144 BFGS: 5011 16:30:21 0.324218 0.1142 BFGS: 5012 16:30:21 0.323135 0.1141 BFGS: 5013 16:30:21 0.322056 0.1139 BFGS: 5014 16:30:21 0.320980 0.1137 BFGS: 5015 16:30:21 0.319906 0.1135 BFGS: 5016 16:30:21 0.318836 0.1134 BFGS: 5017 16:30:21 0.317769 0.1132 BFGS: 5018 16:30:21 0.316705 0.1130 BFGS: 5019 16:30:21 0.315644 0.1128 BFGS: 5020 16:30:21 0.314586 0.1127 BFGS: 5021 16:30:21 0.313531 0.1125 BFGS: 5022 16:30:21 0.312479 0.1123 BFGS: 5023 16:30:21 0.311430 0.1121 BFGS: 5024 16:30:21 0.310384 0.1120 BFGS: 5025 16:30:21 0.309341 0.1118 BFGS: 5026 16:30:21 0.308301 0.1116 BFGS: 5027 16:30:21 0.307264 0.1115 BFGS: 5028 16:30:21 0.306230 0.1113 BFGS: 5029 16:30:21 0.305200 0.1111 BFGS: 5030 16:30:21 0.304172 0.1109 BFGS: 5031 16:30:21 0.303147 0.1108 BFGS: 5032 16:30:21 0.302125 0.1106 BFGS: 5033 16:30:21 0.301107 0.1104 BFGS: 5034 16:30:21 0.300091 0.1102 BFGS: 5035 16:30:21 0.299078 0.1101 BFGS: 5036 16:30:21 0.298068 0.1099 BFGS: 5037 16:30:21 0.297062 0.1097 BFGS: 5038 16:30:21 0.296058 0.1096 BFGS: 5039 16:30:21 0.295057 0.1094 BFGS: 5040 16:30:21 0.294059 0.1092 BFGS: 5041 16:30:21 0.293065 0.1090 BFGS: 5042 16:30:21 0.292073 0.1089 BFGS: 5043 16:30:21 0.291084 0.1087 BFGS: 5044 16:30:21 0.290098 0.1085 BFGS: 5045 16:30:21 0.289115 0.1084 BFGS: 5046 16:30:21 0.288136 0.1082 BFGS: 5047 16:30:21 0.287159 0.1080 BFGS: 5048 16:30:21 0.286185 0.1078 BFGS: 5049 16:30:21 0.285214 0.1077 BFGS: 5050 16:30:21 0.284246 0.1075 BFGS: 5051 16:30:21 0.283281 0.1073 BFGS: 5052 16:30:21 0.282319 0.1072 BFGS: 5053 16:30:21 0.281360 0.1070 BFGS: 5054 16:30:21 0.280404 0.1068 BFGS: 5055 16:30:21 0.279451 0.1066 BFGS: 5056 16:30:21 0.278501 0.1065 BFGS: 5057 16:30:21 0.277554 0.1063 BFGS: 5058 16:30:21 0.276610 0.1061 BFGS: 5059 16:30:21 0.275669 0.1060 BFGS: 5060 16:30:21 0.274731 0.1058 BFGS: 5061 16:30:21 0.273795 0.1056 BFGS: 5062 16:30:21 0.272863 0.1055 BFGS: 5063 16:30:21 0.271934 0.1053 BFGS: 5064 16:30:21 0.271007 0.1051 BFGS: 5065 16:30:21 0.270084 0.1049 BFGS: 5066 16:30:21 0.269163 0.1048 BFGS: 5067 16:30:21 0.268246 0.1046 BFGS: 5068 16:30:21 0.267331 0.1044 BFGS: 5069 16:30:21 0.266419 0.1043 BFGS: 5070 16:30:21 0.265511 0.1041 BFGS: 5071 16:30:21 0.264605 0.1039 BFGS: 5072 16:30:21 0.263702 0.1038 BFGS: 5073 16:30:21 0.262802 0.1036 BFGS: 5074 16:30:21 0.261905 0.1034 BFGS: 5075 16:30:21 0.261011 0.1032 BFGS: 5076 16:30:21 0.260120 0.1031 BFGS: 5077 16:30:21 0.259232 0.1029 BFGS: 5078 16:30:21 0.258346 0.1027 BFGS: 5079 16:30:21 0.257464 0.1026 BFGS: 5080 16:30:21 0.256584 0.1024 BFGS: 5081 16:30:21 0.255708 0.1022 BFGS: 5082 16:30:21 0.254834 0.1021 BFGS: 5083 16:30:21 0.253964 0.1019 BFGS: 5084 16:30:21 0.253096 0.1017 BFGS: 5085 16:30:21 0.252231 0.1016 BFGS: 5086 16:30:21 0.251369 0.1014 BFGS: 5087 16:30:21 0.250510 0.1012 BFGS: 5088 16:30:21 0.249654 0.1011 BFGS: 5089 16:30:21 0.248800 0.1009 BFGS: 5090 16:30:21 0.247950 0.1007 BFGS: 5091 16:30:21 0.247103 0.1005 BFGS: 5092 16:30:21 0.246258 0.1004 BFGS: 5093 16:30:21 0.245416 0.1002 BFGS: 5094 16:30:21 0.244578 0.1000 BFGS: 5095 16:30:21 0.243742 0.0999 BFGS: 5096 16:30:21 0.242909 0.0997 BFGS: 5097 16:30:21 0.242079 0.0995 BFGS: 5098 16:30:21 0.241252 0.0994 BFGS: 5099 16:30:21 0.240427 0.0992 BFGS: 5100 16:30:21 0.239606 0.0990 BFGS: 5101 16:30:21 0.238787 0.0989 BFGS: 5102 16:30:21 0.237972 0.0987 BFGS: 5103 16:30:21 0.237159 0.0985 BFGS: 5104 16:30:21 0.236349 0.0984 BFGS: 5105 16:30:21 0.235542 0.0982 BFGS: 5106 16:30:21 0.234738 0.0980 BFGS: 5107 16:30:21 0.233936 0.0979 BFGS: 5108 16:30:21 0.233138 0.0977 BFGS: 5109 16:30:21 0.232342 0.0975 BFGS: 5110 16:30:21 0.231549 0.0974 BFGS: 5111 16:30:21 0.230760 0.0972 BFGS: 5112 16:30:21 0.229973 0.0970 BFGS: 5113 16:30:21 0.229188 0.0969 BFGS: 5114 16:30:21 0.228407 0.0967 BFGS: 5115 16:30:21 0.227629 0.0965 BFGS: 5116 16:30:21 0.226853 0.0964 BFGS: 5117 16:30:21 0.226080 0.0962 BFGS: 5118 16:30:21 0.225309 0.0960 BFGS: 5119 16:30:21 0.224541 0.0959 BFGS: 5120 16:30:21 0.223775 0.0957 BFGS: 5121 16:30:21 0.223012 0.0955 BFGS: 5122 16:30:21 0.222250 0.0954 BFGS: 5123 16:30:21 0.221491 0.0952 BFGS: 5124 16:30:22 0.220733 0.0950 BFGS: 5125 16:30:22 0.219978 0.0949 BFGS: 5126 16:30:22 0.219224 0.0947 BFGS: 5127 16:30:22 0.218473 0.0945 BFGS: 5128 16:30:22 0.217724 0.0944 BFGS: 5129 16:30:22 0.216976 0.0942 BFGS: 5130 16:30:22 0.216231 0.0940 BFGS: 5131 16:30:22 0.215488 0.0939 BFGS: 5132 16:30:22 0.214746 0.0937 BFGS: 5133 16:30:22 0.214007 0.0935 BFGS: 5134 16:30:22 0.213270 0.0934 BFGS: 5135 16:30:22 0.212535 0.0932 BFGS: 5136 16:30:22 0.211801 0.0930 BFGS: 5137 16:30:22 0.211070 0.0929 BFGS: 5138 16:30:22 0.210341 0.0927 BFGS: 5139 16:30:22 0.209614 0.0926 BFGS: 5140 16:30:22 0.208888 0.0924 BFGS: 5141 16:30:22 0.208165 0.0922 BFGS: 5142 16:30:22 0.207444 0.0921 BFGS: 5143 16:30:22 0.206724 0.0919 BFGS: 5144 16:30:22 0.206007 0.0917 BFGS: 5145 16:30:22 0.205292 0.0916 BFGS: 5146 16:30:22 0.204578 0.0914 BFGS: 5147 16:30:22 0.203867 0.0912 BFGS: 5148 16:30:22 0.203157 0.0911 BFGS: 5149 16:30:22 0.202450 0.0909 BFGS: 5150 16:30:22 0.201744 0.0907 BFGS: 5151 16:30:22 0.201041 0.0906 BFGS: 5152 16:30:22 0.200339 0.0904 BFGS: 5153 16:30:22 0.199639 0.0902 BFGS: 5154 16:30:22 0.198942 0.0901 BFGS: 5155 16:30:22 0.198246 0.0899 BFGS: 5156 16:30:22 0.197552 0.0897 BFGS: 5157 16:30:22 0.196860 0.0896 BFGS: 5158 16:30:22 0.196170 0.0894 BFGS: 5159 16:30:22 0.195482 0.0892 BFGS: 5160 16:30:22 0.194796 0.0891 BFGS: 5161 16:30:22 0.194112 0.0889 BFGS: 5162 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BFGS: 5523 16:30:24 0.033984 0.0349 BFGS: 5524 16:30:24 0.033734 0.0348 BFGS: 5525 16:30:24 0.033485 0.0346 BFGS: 5526 16:30:24 0.033237 0.0345 BFGS: 5527 16:30:24 0.032990 0.0344 BFGS: 5528 16:30:24 0.032744 0.0342 BFGS: 5529 16:30:24 0.032499 0.0341 BFGS: 5530 16:30:24 0.032255 0.0340 BFGS: 5531 16:30:24 0.032012 0.0338 BFGS: 5532 16:30:24 0.031770 0.0337 BFGS: 5533 16:30:24 0.031529 0.0336 BFGS: 5534 16:30:24 0.031288 0.0334 BFGS: 5535 16:30:24 0.031049 0.0333 BFGS: 5536 16:30:24 0.030811 0.0331 BFGS: 5537 16:30:24 0.030573 0.0330 BFGS: 5538 16:30:24 0.030337 0.0329 BFGS: 5539 16:30:24 0.030102 0.0327 BFGS: 5540 16:30:24 0.029867 0.0326 BFGS: 5541 16:30:24 0.029634 0.0325 BFGS: 5542 16:30:24 0.029401 0.0323 BFGS: 5543 16:30:24 0.029170 0.0322 BFGS: 5544 16:30:24 0.028939 0.0321 BFGS: 5545 16:30:24 0.028709 0.0319 BFGS: 5546 16:30:24 0.028480 0.0318 BFGS: 5547 16:30:24 0.028253 0.0317 BFGS: 5548 16:30:24 0.028026 0.0315 BFGS: 5549 16:30:24 0.027800 0.0314 BFGS: 5550 16:30:24 0.027575 0.0313 BFGS: 5551 16:30:24 0.027351 0.0312 BFGS: 5552 16:30:24 0.027128 0.0310 BFGS: 5553 16:30:24 0.026906 0.0309 BFGS: 5554 16:30:24 0.026685 0.0308 BFGS: 5555 16:30:24 0.026465 0.0306 BFGS: 5556 16:30:24 0.026246 0.0305 BFGS: 5557 16:30:24 0.026028 0.0304 BFGS: 5558 16:30:24 0.025810 0.0302 BFGS: 5559 16:30:24 0.025594 0.0301 BFGS: 5560 16:30:24 0.025379 0.0300 BFGS: 5561 16:30:24 0.025164 0.0298 BFGS: 5562 16:30:24 0.024951 0.0297 BFGS: 5563 16:30:24 0.024738 0.0296 BFGS: 5564 16:30:24 0.024527 0.0294 BFGS: 5565 16:30:24 0.024316 0.0293 BFGS: 5566 16:30:24 0.024106 0.0292 BFGS: 5567 16:30:24 0.023898 0.0290 BFGS: 5568 16:30:24 0.023690 0.0289 BFGS: 5569 16:30:24 0.023483 0.0288 BFGS: 5570 16:30:24 0.023277 0.0286 BFGS: 5571 16:30:24 0.023072 0.0285 BFGS: 5572 16:30:24 0.022868 0.0284 BFGS: 5573 16:30:24 0.022665 0.0282 BFGS: 5574 16:30:24 0.022463 0.0281 BFGS: 5575 16:30:24 0.022262 0.0280 BFGS: 5576 16:30:24 0.022062 0.0279 BFGS: 5577 16:30:24 0.021862 0.0277 BFGS: 5578 16:30:24 0.021664 0.0276 BFGS: 5579 16:30:24 0.021467 0.0275 BFGS: 5580 16:30:24 0.021270 0.0273 BFGS: 5581 16:30:24 0.021075 0.0272 BFGS: 5582 16:30:24 0.020880 0.0271 BFGS: 5583 16:30:24 0.020686 0.0269 BFGS: 5584 16:30:24 0.020494 0.0268 BFGS: 5585 16:30:24 0.020302 0.0267 BFGS: 5586 16:30:24 0.020111 0.0266 BFGS: 5587 16:30:24 0.019921 0.0264 BFGS: 5588 16:30:24 0.019732 0.0263 BFGS: 5589 16:30:24 0.019544 0.0262 BFGS: 5590 16:30:24 0.019357 0.0260 BFGS: 5591 16:30:24 0.019171 0.0259 BFGS: 5592 16:30:24 0.018986 0.0258 BFGS: 5593 16:30:24 0.018802 0.0256 BFGS: 5594 16:30:24 0.018618 0.0255 BFGS: 5595 16:30:24 0.018436 0.0254 BFGS: 5596 16:30:24 0.018254 0.0253 BFGS: 5597 16:30:24 0.018074 0.0251 BFGS: 5598 16:30:24 0.017894 0.0250 BFGS: 5599 16:30:24 0.017715 0.0249 BFGS: 5600 16:30:24 0.017538 0.0247 BFGS: 5601 16:30:24 0.017361 0.0246 BFGS: 5602 16:30:24 0.017185 0.0245 BFGS: 5603 16:30:24 0.017010 0.0243 BFGS: 5604 16:30:24 0.016836 0.0242 BFGS: 5605 16:30:24 0.016663 0.0241 BFGS: 5606 16:30:24 0.016490 0.0240 BFGS: 5607 16:30:24 0.016319 0.0238 BFGS: 5608 16:30:24 0.016149 0.0237 BFGS: 5609 16:30:24 0.015979 0.0236 BFGS: 5610 16:30:24 0.015811 0.0234 BFGS: 5611 16:30:24 0.015643 0.0233 BFGS: 5612 16:30:24 0.015477 0.0232 BFGS: 5613 16:30:24 0.015311 0.0231 BFGS: 5614 16:30:24 0.015146 0.0229 BFGS: 5615 16:30:24 0.014982 0.0228 BFGS: 5616 16:30:24 0.014819 0.0227 BFGS: 5617 16:30:24 0.014657 0.0225 BFGS: 5618 16:30:24 0.014496 0.0224 BFGS: 5619 16:30:24 0.014336 0.0223 BFGS: 5620 16:30:24 0.014177 0.0222 BFGS: 5621 16:30:24 0.014018 0.0220 BFGS: 5622 16:30:24 0.013861 0.0219 BFGS: 5623 16:30:24 0.013704 0.0218 BFGS: 5624 16:30:24 0.013549 0.0217 BFGS: 5625 16:30:24 0.013394 0.0215 BFGS: 5626 16:30:24 0.013240 0.0214 BFGS: 5627 16:30:24 0.013087 0.0213 BFGS: 5628 16:30:24 0.012935 0.0211 BFGS: 5629 16:30:24 0.012784 0.0210 BFGS: 5630 16:30:24 0.012634 0.0209 BFGS: 5631 16:30:24 0.012485 0.0208 BFGS: 5632 16:30:24 0.012337 0.0206 BFGS: 5633 16:30:24 0.012189 0.0205 BFGS: 5634 16:30:24 0.012043 0.0204 BFGS: 5635 16:30:24 0.011897 0.0203 BFGS: 5636 16:30:24 0.011753 0.0201 BFGS: 5637 16:30:24 0.011609 0.0200 BFGS: 5638 16:30:24 0.011466 0.0199 BFGS: 5639 16:30:24 0.011324 0.0197 BFGS: 5640 16:30:24 0.011183 0.0196 BFGS: 5641 16:30:24 0.011043 0.0195 BFGS: 5642 16:30:24 0.010904 0.0194 BFGS: 5643 16:30:24 0.010766 0.0192 BFGS: 5644 16:30:24 0.010628 0.0191 BFGS: 5645 16:30:24 0.010492 0.0190 BFGS: 5646 16:30:24 0.010356 0.0189 BFGS: 5647 16:30:24 0.010222 0.0187 BFGS: 5648 16:30:24 0.010088 0.0186 BFGS: 5649 16:30:24 0.009955 0.0185 BFGS: 5650 16:30:24 0.009823 0.0184 BFGS: 5651 16:30:24 0.009692 0.0182 BFGS: 5652 16:30:24 0.009562 0.0181 BFGS: 5653 16:30:24 0.009433 0.0180 BFGS: 5654 16:30:24 0.009304 0.0179 BFGS: 5655 16:30:24 0.009177 0.0177 BFGS: 5656 16:30:24 0.009051 0.0176 BFGS: 5657 16:30:24 0.008925 0.0175 BFGS: 5658 16:30:24 0.008800 0.0174 BFGS: 5659 16:30:24 0.008676 0.0172 BFGS: 5660 16:30:24 0.008553 0.0171 BFGS: 5661 16:30:24 0.008431 0.0170 BFGS: 5662 16:30:24 0.008310 0.0169 BFGS: 5663 16:30:24 0.008190 0.0167 BFGS: 5664 16:30:24 0.008071 0.0166 BFGS: 5665 16:30:24 0.007952 0.0165 BFGS: 5666 16:30:24 0.007835 0.0164 BFGS: 5667 16:30:24 0.007718 0.0162 BFGS: 5668 16:30:24 0.007602 0.0161 BFGS: 5669 16:30:24 0.007488 0.0160 BFGS: 5670 16:30:24 0.007374 0.0159 BFGS: 5671 16:30:24 0.007261 0.0157 BFGS: 5672 16:30:24 0.007148 0.0156 BFGS: 5673 16:30:24 0.007037 0.0155 BFGS: 5674 16:30:24 0.006927 0.0154 BFGS: 5675 16:30:24 0.006817 0.0152 BFGS: 5676 16:30:24 0.006709 0.0151 BFGS: 5677 16:30:24 0.006601 0.0150 BFGS: 5678 16:30:24 0.006494 0.0149 BFGS: 5679 16:30:24 0.006388 0.0147 BFGS: 5680 16:30:24 0.006283 0.0146 BFGS: 5681 16:30:24 0.006179 0.0145 BFGS: 5682 16:30:24 0.006076 0.0144 BFGS: 5683 16:30:24 0.005974 0.0142 BFGS: 5684 16:30:24 0.005872 0.0141 BFGS: 5685 16:30:24 0.005772 0.0140 BFGS: 5686 16:30:24 0.005672 0.0139 BFGS: 5687 16:30:24 0.005573 0.0137 BFGS: 5688 16:30:24 0.005475 0.0136 BFGS: 5689 16:30:24 0.005378 0.0135 BFGS: 5690 16:30:24 0.005282 0.0134 BFGS: 5691 16:30:24 0.005187 0.0133 BFGS: 5692 16:30:24 0.005092 0.0131 BFGS: 5693 16:30:24 0.004999 0.0130 BFGS: 5694 16:30:24 0.004906 0.0129 BFGS: 5695 16:30:24 0.004814 0.0128 BFGS: 5696 16:30:24 0.004724 0.0126 BFGS: 5697 16:30:24 0.004634 0.0125 BFGS: 5698 16:30:24 0.004545 0.0124 BFGS: 5699 16:30:24 0.004456 0.0123 BFGS: 5700 16:30:24 0.004369 0.0121 BFGS: 5701 16:30:24 0.004283 0.0120 BFGS: 5702 16:30:24 0.004197 0.0119 BFGS: 5703 16:30:24 0.004112 0.0118 BFGS: 5704 16:30:24 0.004028 0.0117 BFGS: 5705 16:30:24 0.003946 0.0115 BFGS: 5706 16:30:24 0.003863 0.0114 BFGS: 5707 16:30:24 0.003782 0.0113 BFGS: 5708 16:30:24 0.003702 0.0112 BFGS: 5709 16:30:24 0.003623 0.0110 BFGS: 5710 16:30:24 0.003544 0.0109 BFGS: 5711 16:30:24 0.003466 0.0108 BFGS: 5712 16:30:24 0.003390 0.0107 BFGS: 5713 16:30:24 0.003314 0.0106 BFGS: 5714 16:30:24 0.003239 0.0104 BFGS: 5715 16:30:24 0.003164 0.0103 BFGS: 5716 16:30:24 0.003091 0.0102 BFGS: 5717 16:30:24 0.003019 0.0101 BFGS: 5718 16:30:24 0.002947 0.0099 BFGS: 5719 16:30:24 0.002876 0.0098 BFGS: 5720 16:30:24 0.002807 0.0097 BFGS: 5721 16:30:24 0.002738 0.0096 BFGS: 5722 16:30:24 0.002670 0.0095 BFGS: 5723 16:30:25 0.002602 0.0093 BFGS: 5724 16:30:25 0.002536 0.0092 BFGS: 5725 16:30:25 0.002470 0.0091 BFGS: 5726 16:30:25 0.002406 0.0090 BFGS: 5727 16:30:25 0.002342 0.0089 BFGS: 5728 16:30:25 0.002279 0.0087 BFGS: 5729 16:30:25 0.002217 0.0086 BFGS: 5730 16:30:25 0.002156 0.0085 BFGS: 5731 16:30:25 0.002096 0.0084 BFGS: 5732 16:30:25 0.002036 0.0083 BFGS: 5733 16:30:25 0.001978 0.0081 BFGS: 5734 16:30:25 0.001920 0.0080 BFGS: 5735 16:30:25 0.001863 0.0079 BFGS: 5736 16:30:25 0.001807 0.0078 BFGS: 5737 16:30:25 0.001752 0.0076 BFGS: 5738 16:30:25 0.001698 0.0075 BFGS: 5739 16:30:25 0.001645 0.0074 BFGS: 5740 16:30:25 0.001592 0.0073 BFGS: 5741 16:30:25 0.001541 0.0072 BFGS: 5742 16:30:25 0.001490 0.0070 BFGS: 5743 16:30:25 0.001440 0.0069 BFGS: 5744 16:30:25 0.001391 0.0068 BFGS: 5745 16:30:25 0.001343 0.0067 BFGS: 5746 16:30:25 0.001295 0.0066 BFGS: 5747 16:30:25 0.001249 0.0064 BFGS: 5748 16:30:25 0.001203 0.0063 BFGS: 5749 16:30:25 0.001158 0.0062 BFGS: 5750 16:30:25 0.001114 0.0061 BFGS: 5751 16:30:25 0.001071 0.0060 BFGS: 5752 16:30:25 0.001029 0.0058 BFGS: 5753 16:30:25 0.000988 0.0057 BFGS: 5754 16:30:25 0.000947 0.0056 BFGS: 5755 16:30:25 0.000908 0.0055 BFGS: 5756 16:30:25 0.000869 0.0054 BFGS: 5757 16:30:25 0.000831 0.0053 BFGS: 5758 16:30:25 0.000794 0.0051 BFGS: 5759 16:30:25 0.000758 0.0050 BFGS: 5760 16:30:25 0.000722 0.0049 BFGS: 5761 16:30:25 0.000688 0.0048 BFGS: 5762 16:30:25 0.000654 0.0047 BFGS: 5763 16:30:25 0.000621 0.0045 BFGS: 5764 16:30:25 0.000589 0.0044 BFGS: 5765 16:30:25 0.000558 0.0043 BFGS: 5766 16:30:25 0.000528 0.0042 BFGS: 5767 16:30:25 0.000499 0.0041 BFGS: 5768 16:30:25 0.000470 0.0039 BFGS: 5769 16:30:25 0.000442 0.0038 BFGS: 5770 16:30:25 0.000415 0.0037 BFGS: 5771 16:30:25 0.000389 0.0036 BFGS: 5772 16:30:25 0.000364 0.0035 BFGS: 5773 16:30:25 0.000340 0.0034 BFGS: 5774 16:30:25 0.000316 0.0032 BFGS: 5775 16:30:25 0.000294 0.0031 BFGS: 5776 16:30:25 0.000272 0.0030 BFGS: 5777 16:30:25 0.000251 0.0029 BFGS: 5778 16:30:25 0.000231 0.0028 BFGS: 5779 16:30:25 0.000212 0.0026 BFGS: 5780 16:30:25 0.000193 0.0025 BFGS: 5781 16:30:25 0.000175 0.0024 BFGS: 5782 16:30:25 0.000159 0.0023 BFGS: 5783 16:30:25 0.000143 0.0022 BFGS: 5784 16:30:25 0.000128 0.0021 BFGS: 5785 16:30:25 0.000114 0.0019 BFGS: 5786 16:30:25 0.000100 0.0018 BFGS: 5787 16:30:25 0.000088 0.0017 BFGS: 5788 16:30:25 0.000076 0.0016 BFGS: 5789 16:30:25 0.000065 0.0015 BFGS: 5790 16:30:25 0.000055 0.0013 BFGS: 5791 16:30:25 0.000046 0.0012 BFGS: 5792 16:30:25 0.000038 0.0011 BFGS: 5793 16:30:25 0.000030 0.0010 BFGS: 5794 16:30:25 0.000023 0.0009 BFGS: 5795 16:30:25 0.000018 0.0008 BFGS: 5796 16:30:25 0.000013 0.0007 BFGS: 5797 16:30:25 0.000008 0.0006 BFGS: 5798 16:30:25 0.000005 0.0005 BFGS: 5799 16:30:25 0.000003 0.0004 BFGS: 5800 16:30:25 0.000001 0.0003 BFGS: 5801 16:30:25 0.000000 0.0002 BFGS: 5802 16:30:25 0.000000 0.0001 BFGS: 5803 16:30:25 0.000000 0.0001 BFGS: 5804 16:30:25 0.000000 0.0000 Minimization converged after 5804 steps. Maximum force component: 7.980613594882735e-11 eV/Angstrom Maximum stress component: 1.6140532801433513e-13 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 = [[0.25 0.25 0.25430146] [0.75 0.75 0.25430146] [0.75 0.25 0.74569854] [0.25 0.75 0.74569854] [0.75 0.75 0.74569854] [0.25 0.25 0.74569854] [0.25 0.75 0.25430146] [0.75 0.25 0.25430146] [1. 0.80982798 0.75421026] [1. 0.19017202 0.75421026] [1. 0.80982798 0.24578974] [1. 0.19017202 0.24578974] [0.5 0.30982798 0.75421026] [0.5 0.69017202 0.75421026] [0.5 0.30982798 0.24578974] [0.5 0.69017202 0.24578974]] cellpar = Cell([[14.700098907616255, -2.029379106755532e-15, 0.0], [-1.2647764089068228e-14, 106.36825537236962, 0.0], [0.0, 0.0, 16.098759731761973]]) forces = [[-1.35894531e-31 -9.01374356e-31 1.71842127e-12] [ 1.81192708e-31 7.37488109e-31 1.71842127e-12] [ 9.05963541e-32 4.91658740e-31 -1.71842127e-12] [-9.05963541e-32 -3.27772493e-31 -1.71842127e-12] [ 1.81192708e-31 -3.27772493e-31 -1.71842127e-12] [-1.81192708e-31 3.27772493e-31 -1.71842127e-12] [ 9.74348304e-48 -8.19431233e-32 1.71842127e-12] [ 9.05963541e-32 4.09715616e-31 1.71842127e-12] [-9.48938362e-27 7.98061359e-11 1.71842127e-12] [ 9.48938362e-27 -7.98061359e-11 1.71842127e-12] [-9.48938362e-27 7.98061359e-11 -1.71842127e-12] [ 9.48938362e-27 -7.98061359e-11 -1.71842127e-12] [-9.48938362e-27 7.98061359e-11 1.71842127e-12] [ 9.48938362e-27 -7.98061359e-11 1.71842127e-12] [-9.48938362e-27 7.98061359e-11 -1.71842127e-12] [ 9.48938362e-27 -7.98061359e-11 -1.71842127e-12]] stress = [-5.38276868e-14 -1.61405328e-13 -7.48349683e-17 0.00000000e+00 0.00000000e+00 -2.86827466e-29] energy per atom = 0.0 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.25 0.25 0.10134088] [0. 0.12560938 0.81864012]] spacegroup = 65 cell = [[4.9133, 0, 0], [0, 5.4843, 0], [0, 0, 6.7476]] ========================================= Step Time Energy fmax BFGS: 0 16:30:29 1649.344726 200.3914 BFGS: 1 16:30:29 1517.276279 202.4689 BFGS: 2 16:30:29 1467.952857 189.4511 BFGS: 3 16:30:29 1408.060245 175.8287 BFGS: 4 16:30:29 1367.450058 165.7113 BFGS: 5 16:30:29 1336.785746 157.9656 BFGS: 6 16:30:29 1309.890014 151.1603 BFGS: 7 16:30:29 1285.497193 145.0881 BFGS: 8 16:30:29 1263.276755 139.7202 BFGS: 9 16:30:29 1242.998456 134.9965 BFGS: 10 16:30:29 1224.412581 130.9194 BFGS: 11 16:30:29 1207.289824 130.1263 BFGS: 12 16:30:29 1191.418561 129.2163 BFGS: 13 16:30:29 1176.596866 128.2199 BFGS: 14 16:30:29 1162.651428 127.1606 BFGS: 15 16:30:29 1149.449385 126.0542 BFGS: 16 16:30:29 1136.881822 124.9129 BFGS: 17 16:30:29 1124.862618 123.7455 BFGS: 18 16:30:29 1113.323074 122.5587 BFGS: 19 16:30:29 1102.208130 121.3574 BFGS: 20 16:30:29 1091.474442 120.1456 BFGS: 21 16:30:29 1081.083979 118.9271 BFGS: 22 16:30:29 1071.005449 117.7101 BFGS: 23 16:30:29 1061.222692 116.4918 BFGS: 24 16:30:29 1051.709267 115.2736 BFGS: 25 16:30:29 1042.444027 114.0571 BFGS: 26 16:30:29 1033.409295 112.8434 BFGS: 27 16:30:29 1024.588970 111.6336 BFGS: 28 16:30:29 1015.969205 110.4286 BFGS: 29 16:30:29 1007.537964 109.2292 BFGS: 30 16:30:30 999.284587 108.0424 BFGS: 31 16:30:30 991.208875 106.8694 BFGS: 32 16:30:30 983.308135 105.7052 BFGS: 33 16:30:30 975.569788 104.5500 BFGS: 34 16:30:30 967.983489 103.4037 BFGS: 35 16:30:30 960.540533 102.2667 BFGS: 36 16:30:30 953.233448 101.1389 BFGS: 37 16:30:30 946.055712 100.0207 BFGS: 38 16:30:30 939.001540 98.9120 BFGS: 39 16:30:30 932.065734 97.8131 BFGS: 40 16:30:30 925.243575 96.7240 BFGS: 41 16:30:30 918.530734 95.6449 BFGS: 42 16:30:30 911.923211 94.5759 BFGS: 43 16:30:30 905.417283 93.5170 BFGS: 44 16:30:30 899.009470 92.4683 BFGS: 45 16:30:30 892.696500 91.4298 BFGS: 46 16:30:30 886.475183 90.4080 BFGS: 47 16:30:30 880.353105 89.3997 BFGS: 48 16:30:30 874.329143 88.4030 BFGS: 49 16:30:30 868.397290 87.4178 BFGS: 50 16:30:30 862.552534 86.4438 BFGS: 51 16:30:30 856.790614 85.4807 BFGS: 52 16:30:30 851.107854 84.5290 BFGS: 53 16:30:30 845.501042 83.5879 BFGS: 54 16:30:30 839.967350 82.6571 BFGS: 55 16:30:30 834.504230 81.7366 BFGS: 56 16:30:30 829.109347 80.8262 BFGS: 57 16:30:30 823.780550 79.9259 BFGS: 58 16:30:30 818.515831 79.0354 BFGS: 59 16:30:30 813.313310 78.1548 BFGS: 60 16:30:30 808.171120 77.2885 BFGS: 61 16:30:30 803.093792 76.4348 BFGS: 62 16:30:30 798.080312 75.5917 BFGS: 63 16:30:30 793.127373 74.7587 BFGS: 64 16:30:30 788.232204 73.9355 BFGS: 65 16:30:30 783.392428 73.1219 BFGS: 66 16:30:30 778.605895 72.3203 BFGS: 67 16:30:30 773.875467 71.5287 BFGS: 68 16:30:30 769.198558 70.7468 BFGS: 69 16:30:30 764.572655 69.9741 BFGS: 70 16:30:30 759.995626 69.2105 BFGS: 71 16:30:30 755.465632 68.4558 BFGS: 72 16:30:30 750.981057 67.7096 BFGS: 73 16:30:30 746.540466 66.9720 BFGS: 74 16:30:30 742.142561 66.2427 BFGS: 75 16:30:30 737.786158 65.5216 BFGS: 76 16:30:30 733.470138 64.8097 BFGS: 77 16:30:30 729.193073 64.4191 BFGS: 78 16:30:30 724.960823 64.0691 BFGS: 79 16:30:30 720.770984 63.7246 BFGS: 80 16:30:30 716.621859 63.3842 BFGS: 81 16:30:30 712.511609 63.0476 BFGS: 82 16:30:30 708.439981 62.7154 BFGS: 83 16:30:30 704.407844 62.3875 BFGS: 84 16:30:30 700.413312 62.0630 BFGS: 85 16:30:30 696.454707 61.7418 BFGS: 86 16:30:30 692.530603 61.4237 BFGS: 87 16:30:30 688.639768 61.1084 BFGS: 88 16:30:30 684.781125 60.7961 BFGS: 89 16:30:30 680.953771 60.4869 BFGS: 90 16:30:30 677.156973 60.1803 BFGS: 91 16:30:30 673.389911 59.8762 BFGS: 92 16:30:30 669.651840 59.5744 BFGS: 93 16:30:30 665.942084 59.2750 BFGS: 94 16:30:30 662.260016 58.9778 BFGS: 95 16:30:30 658.605795 58.6833 BFGS: 96 16:30:30 654.981464 58.3908 BFGS: 97 16:30:30 651.385836 58.1004 BFGS: 98 16:30:30 647.817892 57.8121 BFGS: 99 16:30:30 644.276752 57.5256 BFGS: 100 16:30:30 640.761643 57.2409 BFGS: 101 16:30:30 637.271869 56.9581 BFGS: 102 16:30:30 633.808518 56.6772 BFGS: 103 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8.7100 BFGS: 498 16:30:32 97.926869 8.6697 BFGS: 499 16:30:32 97.502371 8.6296 BFGS: 500 16:30:32 97.079804 8.5896 BFGS: 501 16:30:32 96.659166 8.5497 BFGS: 502 16:30:32 96.240455 8.5100 BFGS: 503 16:30:32 95.823669 8.4705 BFGS: 504 16:30:32 95.408805 8.4311 BFGS: 505 16:30:32 94.995861 8.3921 BFGS: 506 16:30:32 94.584811 8.3552 BFGS: 507 16:30:32 94.175637 8.3197 BFGS: 508 16:30:32 93.768297 8.2843 BFGS: 509 16:30:32 93.362788 8.2490 BFGS: 510 16:30:32 92.959107 8.2138 BFGS: 511 16:30:32 92.557253 8.1788 BFGS: 512 16:30:32 92.157223 8.1439 BFGS: 513 16:30:32 91.759013 8.1092 BFGS: 514 16:30:32 91.362569 8.0772 BFGS: 515 16:30:32 90.967806 8.0457 BFGS: 516 16:30:32 90.574715 8.0142 BFGS: 517 16:30:32 90.183296 7.9829 BFGS: 518 16:30:32 89.793548 7.9517 BFGS: 519 16:30:32 89.405470 7.9206 BFGS: 520 16:30:32 89.019061 7.8895 BFGS: 521 16:30:32 88.634319 7.8587 BFGS: 522 16:30:32 88.251242 7.8279 BFGS: 523 16:30:32 87.869829 7.7972 BFGS: 524 16:30:32 87.490076 7.7666 BFGS: 525 16:30:32 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54.238331 5.0277 BFGS: 637 16:30:33 54.015175 5.0075 BFGS: 638 16:30:33 53.793177 4.9874 BFGS: 639 16:30:33 53.572331 4.9673 BFGS: 640 16:30:33 53.352633 4.9473 BFGS: 641 16:30:33 53.134078 4.9274 BFGS: 642 16:30:33 52.916660 4.9076 BFGS: 643 16:30:33 52.700376 4.8878 BFGS: 644 16:30:33 52.485220 4.8680 BFGS: 645 16:30:33 52.271187 4.8483 BFGS: 646 16:30:33 52.058272 4.8287 BFGS: 647 16:30:33 51.846473 4.8092 BFGS: 648 16:30:33 51.635782 4.7897 BFGS: 649 16:30:33 51.426197 4.7703 BFGS: 650 16:30:33 51.217713 4.7509 BFGS: 651 16:30:33 51.010325 4.7316 BFGS: 652 16:30:33 50.804028 4.7124 BFGS: 653 16:30:33 50.598820 4.6932 BFGS: 654 16:30:33 50.394695 4.6741 BFGS: 655 16:30:33 50.191649 4.6551 BFGS: 656 16:30:33 49.989678 4.6361 BFGS: 657 16:30:33 49.788778 4.6172 BFGS: 658 16:30:33 49.588945 4.5983 BFGS: 659 16:30:33 49.390174 4.5795 BFGS: 660 16:30:33 49.192462 4.5608 BFGS: 661 16:30:33 48.995805 4.5421 BFGS: 662 16:30:33 48.800198 4.5235 BFGS: 663 16:30:33 48.605638 4.5049 BFGS: 664 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3.6379 BFGS: 720 16:30:33 38.939022 3.6246 BFGS: 721 16:30:33 38.791945 3.6114 BFGS: 722 16:30:33 38.645544 3.5983 BFGS: 723 16:30:33 38.499817 3.5852 BFGS: 724 16:30:33 38.354761 3.5721 BFGS: 725 16:30:33 38.210376 3.5591 BFGS: 726 16:30:33 38.066659 3.5461 BFGS: 727 16:30:33 37.923608 3.5332 BFGS: 728 16:30:33 37.781220 3.5203 BFGS: 729 16:30:33 37.639495 3.5074 BFGS: 730 16:30:33 37.498430 3.4946 BFGS: 731 16:30:33 37.358023 3.4818 BFGS: 732 16:30:33 37.218268 3.4700 BFGS: 733 16:30:33 37.079145 3.4594 BFGS: 734 16:30:33 36.940653 3.4489 BFGS: 735 16:30:33 36.802790 3.4384 BFGS: 736 16:30:33 36.665554 3.4279 BFGS: 737 16:30:33 36.528942 3.4174 BFGS: 738 16:30:33 36.392953 3.4070 BFGS: 739 16:30:33 36.257583 3.3966 BFGS: 740 16:30:33 36.122830 3.3863 BFGS: 741 16:30:33 35.988693 3.3759 BFGS: 742 16:30:33 35.855168 3.3656 BFGS: 743 16:30:33 35.722253 3.3554 BFGS: 744 16:30:33 35.589947 3.3451 BFGS: 745 16:30:33 35.458247 3.3349 BFGS: 746 16:30:33 35.327150 3.3247 BFGS: 747 16:30:33 35.196654 3.3146 BFGS: 748 16:30:33 35.066758 3.3045 BFGS: 749 16:30:33 34.937458 3.2944 BFGS: 750 16:30:33 34.808753 3.2843 BFGS: 751 16:30:33 34.680640 3.2743 BFGS: 752 16:30:33 34.553118 3.2643 BFGS: 753 16:30:33 34.426183 3.2543 BFGS: 754 16:30:33 34.299834 3.2443 BFGS: 755 16:30:33 34.174069 3.2344 BFGS: 756 16:30:33 34.048885 3.2245 BFGS: 757 16:30:33 33.924280 3.2147 BFGS: 758 16:30:33 33.800252 3.2048 BFGS: 759 16:30:33 33.676799 3.1950 BFGS: 760 16:30:33 33.553919 3.1852 BFGS: 761 16:30:33 33.431609 3.1755 BFGS: 762 16:30:33 33.309869 3.1658 BFGS: 763 16:30:33 33.188694 3.1561 BFGS: 764 16:30:33 33.068084 3.1464 BFGS: 765 16:30:33 32.948036 3.1368 BFGS: 766 16:30:33 32.828548 3.1272 BFGS: 767 16:30:33 32.709618 3.1176 BFGS: 768 16:30:33 32.591244 3.1080 BFGS: 769 16:30:33 32.473424 3.0985 BFGS: 770 16:30:33 32.356156 3.0890 BFGS: 771 16:30:33 32.239438 3.0795 BFGS: 772 16:30:33 32.123268 3.0701 BFGS: 773 16:30:33 32.007644 3.0606 BFGS: 774 16:30:33 31.892563 3.0513 BFGS: 775 16:30:33 31.778024 3.0419 BFGS: 776 16:30:33 31.664026 3.0325 BFGS: 777 16:30:33 31.550564 3.0232 BFGS: 778 16:30:33 31.437639 3.0139 BFGS: 779 16:30:33 31.325248 3.0047 BFGS: 780 16:30:33 31.213389 2.9954 BFGS: 781 16:30:33 31.102060 2.9862 BFGS: 782 16:30:33 30.991259 2.9771 BFGS: 783 16:30:33 30.880984 2.9679 BFGS: 784 16:30:33 30.771218 2.9589 BFGS: 785 16:30:33 30.661919 2.9499 BFGS: 786 16:30:33 30.553050 2.9410 BFGS: 787 16:30:33 30.444599 2.9321 BFGS: 788 16:30:33 30.336566 2.9232 BFGS: 789 16:30:33 30.228949 2.9143 BFGS: 790 16:30:33 30.121748 2.9055 BFGS: 791 16:30:33 30.014961 2.8967 BFGS: 792 16:30:33 29.908589 2.8879 BFGS: 793 16:30:33 29.802629 2.8792 BFGS: 794 16:30:33 29.697082 2.8705 BFGS: 795 16:30:33 29.591946 2.8618 BFGS: 796 16:30:33 29.487220 2.8531 BFGS: 797 16:30:33 29.382904 2.8445 BFGS: 798 16:30:33 29.278997 2.8358 BFGS: 799 16:30:33 29.175497 2.8272 BFGS: 800 16:30:33 29.072404 2.8187 BFGS: 801 16:30:33 28.969717 2.8102 BFGS: 802 16:30:33 28.867435 2.8016 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23.756695 2.3644 BFGS: 859 16:30:34 23.675915 2.3572 BFGS: 860 16:30:34 23.595484 2.3501 BFGS: 861 16:30:34 23.515400 2.3430 BFGS: 862 16:30:34 23.435663 2.3359 BFGS: 863 16:30:34 23.356273 2.3288 BFGS: 864 16:30:34 23.277227 2.3218 BFGS: 865 16:30:34 23.198525 2.3147 BFGS: 866 16:30:34 23.120166 2.3077 BFGS: 867 16:30:34 23.042150 2.3007 BFGS: 868 16:30:34 22.964474 2.2938 BFGS: 869 16:30:34 22.887139 2.2868 BFGS: 870 16:30:34 22.810143 2.2799 BFGS: 871 16:30:34 22.733484 2.2730 BFGS: 872 16:30:34 22.657164 2.2661 BFGS: 873 16:30:34 22.581179 2.2593 BFGS: 874 16:30:34 22.505530 2.2524 BFGS: 875 16:30:34 22.430215 2.2456 BFGS: 876 16:30:34 22.355234 2.2388 BFGS: 877 16:30:34 22.280585 2.2320 BFGS: 878 16:30:34 22.206267 2.2253 BFGS: 879 16:30:34 22.132280 2.2185 BFGS: 880 16:30:34 22.058623 2.2118 BFGS: 881 16:30:34 21.985294 2.2051 BFGS: 882 16:30:34 21.912293 2.1985 BFGS: 883 16:30:34 21.839619 2.1918 BFGS: 884 16:30:34 21.767270 2.1852 BFGS: 885 16:30:34 21.695246 2.1785 BFGS: 886 16:30:34 21.623547 2.1719 BFGS: 887 16:30:34 21.552170 2.1654 BFGS: 888 16:30:34 21.481115 2.1588 BFGS: 889 16:30:34 21.410381 2.1523 BFGS: 890 16:30:34 21.339949 2.1462 BFGS: 891 16:30:34 21.269799 2.1400 BFGS: 892 16:30:34 21.199938 2.1339 BFGS: 893 16:30:34 21.130375 2.1278 BFGS: 894 16:30:34 21.061109 2.1217 BFGS: 895 16:30:34 20.992139 2.1157 BFGS: 896 16:30:34 20.923462 2.1096 BFGS: 897 16:30:34 20.855078 2.1036 BFGS: 898 16:30:34 20.786984 2.0976 BFGS: 899 16:30:34 20.719180 2.0916 BFGS: 900 16:30:34 20.651663 2.0856 BFGS: 901 16:30:34 20.584434 2.0797 BFGS: 902 16:30:34 20.517489 2.0737 BFGS: 903 16:30:34 20.450828 2.0678 BFGS: 904 16:30:34 20.384450 2.0619 BFGS: 905 16:30:34 20.318352 2.0560 BFGS: 906 16:30:34 20.252534 2.0501 BFGS: 907 16:30:34 20.186995 2.0443 BFGS: 908 16:30:34 20.121733 2.0384 BFGS: 909 16:30:34 20.056746 2.0326 BFGS: 910 16:30:34 19.992035 2.0268 BFGS: 911 16:30:34 19.927596 2.0210 BFGS: 912 16:30:34 19.863430 2.0153 BFGS: 913 16:30:34 19.799534 2.0095 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1.8549 BFGS: 942 16:30:34 18.059217 1.8496 BFGS: 943 16:30:34 18.002925 1.8443 BFGS: 944 16:30:34 17.946872 1.8390 BFGS: 945 16:30:34 17.891055 1.8338 BFGS: 946 16:30:34 17.835474 1.8286 BFGS: 947 16:30:34 17.780128 1.8233 BFGS: 948 16:30:34 17.725017 1.8181 BFGS: 949 16:30:34 17.670138 1.8129 BFGS: 950 16:30:34 17.615491 1.8077 BFGS: 951 16:30:34 17.561076 1.8026 BFGS: 952 16:30:34 17.506891 1.7974 BFGS: 953 16:30:34 17.452936 1.7923 BFGS: 954 16:30:34 17.399209 1.7872 BFGS: 955 16:30:34 17.345710 1.7821 BFGS: 956 16:30:34 17.292438 1.7770 BFGS: 957 16:30:34 17.239392 1.7719 BFGS: 958 16:30:34 17.186571 1.7668 BFGS: 959 16:30:34 17.133975 1.7618 BFGS: 960 16:30:34 17.081602 1.7567 BFGS: 961 16:30:34 17.029452 1.7517 BFGS: 962 16:30:34 16.977523 1.7467 BFGS: 963 16:30:34 16.925816 1.7417 BFGS: 964 16:30:34 16.874329 1.7367 BFGS: 965 16:30:34 16.823061 1.7318 BFGS: 966 16:30:34 16.772011 1.7268 BFGS: 967 16:30:34 16.721180 1.7219 BFGS: 968 16:30:34 16.670565 1.7169 BFGS: 969 16:30:34 16.620167 1.7120 BFGS: 970 16:30:34 16.569984 1.7071 BFGS: 971 16:30:34 16.520015 1.7022 BFGS: 972 16:30:34 16.470260 1.6974 BFGS: 973 16:30:34 16.420719 1.6925 BFGS: 974 16:30:34 16.371389 1.6876 BFGS: 975 16:30:34 16.322271 1.6828 BFGS: 976 16:30:34 16.273364 1.6780 BFGS: 977 16:30:34 16.224666 1.6732 BFGS: 978 16:30:34 16.176178 1.6684 BFGS: 979 16:30:34 16.127898 1.6636 BFGS: 980 16:30:34 16.079825 1.6588 BFGS: 981 16:30:34 16.031960 1.6541 BFGS: 982 16:30:34 15.984301 1.6493 BFGS: 983 16:30:34 15.936847 1.6446 BFGS: 984 16:30:34 15.889598 1.6399 BFGS: 985 16:30:34 15.842553 1.6352 BFGS: 986 16:30:34 15.795711 1.6305 BFGS: 987 16:30:34 15.749071 1.6258 BFGS: 988 16:30:34 15.702633 1.6212 BFGS: 989 16:30:34 15.656397 1.6165 BFGS: 990 16:30:34 15.610361 1.6119 BFGS: 991 16:30:34 15.564524 1.6072 BFGS: 992 16:30:34 15.518886 1.6026 BFGS: 993 16:30:34 15.473447 1.5980 BFGS: 994 16:30:34 15.428205 1.5934 BFGS: 995 16:30:34 15.383159 1.5889 BFGS: 996 16:30:34 15.338310 1.5843 BFGS: 997 16:30:34 15.293657 1.5797 BFGS: 998 16:30:34 15.249198 1.5752 BFGS: 999 16:30:34 15.204933 1.5707 BFGS: 1000 16:30:34 15.160862 1.5661 BFGS: 1001 16:30:34 15.116983 1.5616 BFGS: 1002 16:30:34 15.073297 1.5571 BFGS: 1003 16:30:34 15.029801 1.5527 BFGS: 1004 16:30:34 14.986497 1.5482 BFGS: 1005 16:30:34 14.943382 1.5437 BFGS: 1006 16:30:34 14.900457 1.5393 BFGS: 1007 16:30:34 14.857721 1.5349 BFGS: 1008 16:30:34 14.815172 1.5304 BFGS: 1009 16:30:34 14.772811 1.5260 BFGS: 1010 16:30:34 14.730637 1.5216 BFGS: 1011 16:30:34 14.688649 1.5173 BFGS: 1012 16:30:34 14.646846 1.5129 BFGS: 1013 16:30:34 14.605228 1.5085 BFGS: 1014 16:30:34 14.563795 1.5042 BFGS: 1015 16:30:34 14.522545 1.4998 BFGS: 1016 16:30:34 14.481477 1.4955 BFGS: 1017 16:30:34 14.440592 1.4912 BFGS: 1018 16:30:34 14.399889 1.4869 BFGS: 1019 16:30:34 14.359367 1.4826 BFGS: 1020 16:30:34 14.319025 1.4783 BFGS: 1021 16:30:34 14.278862 1.4740 BFGS: 1022 16:30:34 14.238879 1.4698 BFGS: 1023 16:30:34 14.199075 1.4655 BFGS: 1024 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BFGS: 1964 16:30:39 0.372647 0.1887 BFGS: 1965 16:30:39 0.369780 0.1881 BFGS: 1966 16:30:39 0.366927 0.1874 BFGS: 1967 16:30:39 0.364088 0.1868 BFGS: 1968 16:30:39 0.361262 0.1861 BFGS: 1969 16:30:39 0.358450 0.1855 BFGS: 1970 16:30:39 0.355652 0.1849 BFGS: 1971 16:30:39 0.352868 0.1842 BFGS: 1972 16:30:39 0.350097 0.1836 BFGS: 1973 16:30:39 0.347339 0.1829 BFGS: 1974 16:30:39 0.344596 0.1823 BFGS: 1975 16:30:39 0.341866 0.1816 BFGS: 1976 16:30:39 0.339149 0.1810 BFGS: 1977 16:30:39 0.336446 0.1803 BFGS: 1978 16:30:39 0.333757 0.1797 BFGS: 1979 16:30:39 0.331081 0.1791 BFGS: 1980 16:30:39 0.328419 0.1784 BFGS: 1981 16:30:39 0.325770 0.1778 BFGS: 1982 16:30:39 0.323134 0.1771 BFGS: 1983 16:30:39 0.320512 0.1765 BFGS: 1984 16:30:39 0.317904 0.1758 BFGS: 1985 16:30:39 0.315309 0.1752 BFGS: 1986 16:30:39 0.312727 0.1745 BFGS: 1987 16:30:39 0.310159 0.1739 BFGS: 1988 16:30:39 0.307604 0.1733 BFGS: 1989 16:30:39 0.305063 0.1726 BFGS: 1990 16:30:39 0.302535 0.1720 BFGS: 1991 16:30:39 0.300020 0.1713 BFGS: 1992 16:30:39 0.297518 0.1707 BFGS: 1993 16:30:39 0.295030 0.1700 BFGS: 1994 16:30:39 0.292555 0.1694 BFGS: 1995 16:30:39 0.290094 0.1687 BFGS: 1996 16:30:39 0.287645 0.1681 BFGS: 1997 16:30:39 0.285210 0.1675 BFGS: 1998 16:30:39 0.282788 0.1668 BFGS: 1999 16:30:39 0.280380 0.1662 BFGS: 2000 16:30:39 0.277984 0.1655 BFGS: 2001 16:30:39 0.275602 0.1649 BFGS: 2002 16:30:39 0.273233 0.1642 BFGS: 2003 16:30:39 0.270877 0.1636 BFGS: 2004 16:30:39 0.268534 0.1629 BFGS: 2005 16:30:39 0.266204 0.1623 BFGS: 2006 16:30:39 0.263887 0.1617 BFGS: 2007 16:30:39 0.261584 0.1610 BFGS: 2008 16:30:39 0.259293 0.1604 BFGS: 2009 16:30:39 0.257016 0.1597 BFGS: 2010 16:30:39 0.254751 0.1591 BFGS: 2011 16:30:39 0.252500 0.1584 BFGS: 2012 16:30:39 0.250262 0.1578 BFGS: 2013 16:30:39 0.248036 0.1571 BFGS: 2014 16:30:39 0.245824 0.1565 BFGS: 2015 16:30:39 0.243624 0.1559 BFGS: 2016 16:30:39 0.241438 0.1552 BFGS: 2017 16:30:39 0.239264 0.1546 BFGS: 2018 16:30:39 0.237103 0.1539 BFGS: 2019 16:30:39 0.234956 0.1533 BFGS: 2020 16:30:39 0.232821 0.1526 BFGS: 2021 16:30:39 0.230699 0.1520 BFGS: 2022 16:30:39 0.228589 0.1513 BFGS: 2023 16:30:39 0.226493 0.1507 BFGS: 2024 16:30:39 0.224409 0.1500 BFGS: 2025 16:30:39 0.222339 0.1494 BFGS: 2026 16:30:39 0.220281 0.1488 BFGS: 2027 16:30:39 0.218236 0.1481 BFGS: 2028 16:30:39 0.216203 0.1475 BFGS: 2029 16:30:39 0.214184 0.1468 BFGS: 2030 16:30:39 0.212177 0.1462 BFGS: 2031 16:30:39 0.210182 0.1455 BFGS: 2032 16:30:39 0.208201 0.1449 BFGS: 2033 16:30:39 0.206232 0.1442 BFGS: 2034 16:30:39 0.204276 0.1436 BFGS: 2035 16:30:39 0.202332 0.1429 BFGS: 2036 16:30:39 0.200401 0.1423 BFGS: 2037 16:30:39 0.198483 0.1417 BFGS: 2038 16:30:40 0.196578 0.1410 BFGS: 2039 16:30:40 0.194685 0.1404 BFGS: 2040 16:30:40 0.192804 0.1397 BFGS: 2041 16:30:40 0.190936 0.1391 BFGS: 2042 16:30:40 0.189081 0.1384 BFGS: 2043 16:30:40 0.187238 0.1378 BFGS: 2044 16:30:40 0.185408 0.1371 BFGS: 2045 16:30:40 0.183590 0.1365 BFGS: 2046 16:30:40 0.181785 0.1358 BFGS: 2047 16:30:40 0.179992 0.1352 BFGS: 2048 16:30:40 0.178212 0.1345 BFGS: 2049 16:30:40 0.176444 0.1339 BFGS: 2050 16:30:40 0.174689 0.1332 BFGS: 2051 16:30:40 0.172945 0.1326 BFGS: 2052 16:30:40 0.171215 0.1319 BFGS: 2053 16:30:40 0.169497 0.1313 BFGS: 2054 16:30:40 0.167791 0.1306 BFGS: 2055 16:30:40 0.166097 0.1300 BFGS: 2056 16:30:40 0.164416 0.1293 BFGS: 2057 16:30:40 0.162748 0.1287 BFGS: 2058 16:30:40 0.161091 0.1281 BFGS: 2059 16:30:40 0.159447 0.1274 BFGS: 2060 16:30:40 0.157815 0.1268 BFGS: 2061 16:30:40 0.156196 0.1261 BFGS: 2062 16:30:40 0.154588 0.1255 BFGS: 2063 16:30:40 0.152993 0.1248 BFGS: 2064 16:30:40 0.151410 0.1242 BFGS: 2065 16:30:40 0.149840 0.1235 BFGS: 2066 16:30:40 0.148281 0.1229 BFGS: 2067 16:30:40 0.146735 0.1222 BFGS: 2068 16:30:40 0.145201 0.1216 BFGS: 2069 16:30:40 0.143679 0.1209 BFGS: 2070 16:30:40 0.142170 0.1203 BFGS: 2071 16:30:40 0.140672 0.1196 BFGS: 2072 16:30:40 0.139187 0.1190 BFGS: 2073 16:30:40 0.137713 0.1183 BFGS: 2074 16:30:40 0.136252 0.1177 BFGS: 2075 16:30:40 0.134803 0.1170 BFGS: 2076 16:30:40 0.133366 0.1163 BFGS: 2077 16:30:40 0.131941 0.1157 BFGS: 2078 16:30:40 0.130528 0.1150 BFGS: 2079 16:30:40 0.129127 0.1144 BFGS: 2080 16:30:40 0.127738 0.1137 BFGS: 2081 16:30:40 0.126361 0.1131 BFGS: 2082 16:30:40 0.124996 0.1124 BFGS: 2083 16:30:40 0.123643 0.1118 BFGS: 2084 16:30:40 0.122302 0.1111 BFGS: 2085 16:30:40 0.120973 0.1105 BFGS: 2086 16:30:40 0.119656 0.1098 BFGS: 2087 16:30:40 0.118351 0.1092 BFGS: 2088 16:30:40 0.117057 0.1085 BFGS: 2089 16:30:40 0.115776 0.1079 BFGS: 2090 16:30:40 0.114507 0.1072 BFGS: 2091 16:30:40 0.113248 0.1062 BFGS: 2092 16:30:40 0.111998 0.1051 BFGS: 2093 16:30:40 0.110758 0.1040 BFGS: 2094 16:30:40 0.109526 0.1029 BFGS: 2095 16:30:40 0.108303 0.1018 BFGS: 2096 16:30:40 0.107088 0.1007 BFGS: 2097 16:30:40 0.105883 0.0996 BFGS: 2098 16:30:40 0.104686 0.0986 BFGS: 2099 16:30:40 0.103498 0.0975 BFGS: 2100 16:30:40 0.102318 0.0964 BFGS: 2101 16:30:40 0.101147 0.0953 BFGS: 2102 16:30:40 0.099985 0.0942 BFGS: 2103 16:30:40 0.098832 0.0931 BFGS: 2104 16:30:40 0.097687 0.0921 BFGS: 2105 16:30:40 0.096551 0.0910 BFGS: 2106 16:30:40 0.095423 0.0899 BFGS: 2107 16:30:40 0.094304 0.0889 BFGS: 2108 16:30:40 0.093194 0.0878 BFGS: 2109 16:30:40 0.092091 0.0867 BFGS: 2110 16:30:40 0.090998 0.0857 BFGS: 2111 16:30:40 0.089913 0.0846 BFGS: 2112 16:30:40 0.088836 0.0836 BFGS: 2113 16:30:40 0.087768 0.0825 BFGS: 2114 16:30:40 0.086708 0.0814 BFGS: 2115 16:30:40 0.085657 0.0804 BFGS: 2116 16:30:40 0.084614 0.0794 BFGS: 2117 16:30:40 0.083579 0.0783 BFGS: 2118 16:30:40 0.082553 0.0773 BFGS: 2119 16:30:40 0.081535 0.0762 BFGS: 2120 16:30:40 0.080525 0.0752 BFGS: 2121 16:30:40 0.079523 0.0742 BFGS: 2122 16:30:40 0.078530 0.0731 BFGS: 2123 16:30:40 0.077545 0.0721 BFGS: 2124 16:30:40 0.076568 0.0711 BFGS: 2125 16:30:40 0.075599 0.0701 BFGS: 2126 16:30:40 0.074639 0.0691 BFGS: 2127 16:30:40 0.073687 0.0680 BFGS: 2128 16:30:40 0.072742 0.0670 BFGS: 2129 16:30:40 0.071806 0.0660 BFGS: 2130 16:30:40 0.070878 0.0650 BFGS: 2131 16:30:40 0.069958 0.0640 BFGS: 2132 16:30:40 0.069046 0.0630 BFGS: 2133 16:30:40 0.068142 0.0620 BFGS: 2134 16:30:40 0.067246 0.0610 BFGS: 2135 16:30:40 0.066358 0.0600 BFGS: 2136 16:30:40 0.065478 0.0590 BFGS: 2137 16:30:40 0.064606 0.0581 BFGS: 2138 16:30:40 0.063742 0.0571 BFGS: 2139 16:30:40 0.062886 0.0561 BFGS: 2140 16:30:40 0.062037 0.0551 BFGS: 2141 16:30:40 0.061197 0.0542 BFGS: 2142 16:30:40 0.060364 0.0532 BFGS: 2143 16:30:40 0.059539 0.0522 BFGS: 2144 16:30:40 0.058722 0.0513 BFGS: 2145 16:30:40 0.057912 0.0503 BFGS: 2146 16:30:40 0.057111 0.0494 BFGS: 2147 16:30:40 0.056317 0.0484 BFGS: 2148 16:30:40 0.055530 0.0475 BFGS: 2149 16:30:40 0.054752 0.0466 BFGS: 2150 16:30:40 0.053981 0.0456 BFGS: 2151 16:30:40 0.053217 0.0447 BFGS: 2152 16:30:40 0.052462 0.0438 BFGS: 2153 16:30:40 0.051714 0.0435 BFGS: 2154 16:30:40 0.050973 0.0432 BFGS: 2155 16:30:40 0.050240 0.0429 BFGS: 2156 16:30:40 0.049515 0.0426 BFGS: 2157 16:30:40 0.048797 0.0423 BFGS: 2158 16:30:40 0.048086 0.0420 BFGS: 2159 16:30:40 0.047383 0.0417 BFGS: 2160 16:30:40 0.046687 0.0415 BFGS: 2161 16:30:40 0.045999 0.0412 BFGS: 2162 16:30:40 0.045318 0.0409 BFGS: 2163 16:30:40 0.044645 0.0406 BFGS: 2164 16:30:40 0.043979 0.0403 BFGS: 2165 16:30:40 0.043320 0.0400 BFGS: 2166 16:30:40 0.042669 0.0397 BFGS: 2167 16:30:40 0.042025 0.0394 BFGS: 2168 16:30:40 0.041388 0.0391 BFGS: 2169 16:30:40 0.040758 0.0388 BFGS: 2170 16:30:40 0.040135 0.0386 BFGS: 2171 16:30:40 0.039520 0.0383 BFGS: 2172 16:30:40 0.038912 0.0380 BFGS: 2173 16:30:40 0.038311 0.0377 BFGS: 2174 16:30:40 0.037717 0.0374 BFGS: 2175 16:30:40 0.037131 0.0371 BFGS: 2176 16:30:40 0.036551 0.0368 BFGS: 2177 16:30:40 0.035978 0.0365 BFGS: 2178 16:30:40 0.035413 0.0363 BFGS: 2179 16:30:40 0.034854 0.0360 BFGS: 2180 16:30:40 0.034302 0.0357 BFGS: 2181 16:30:40 0.033758 0.0354 BFGS: 2182 16:30:40 0.033220 0.0351 BFGS: 2183 16:30:40 0.032689 0.0348 BFGS: 2184 16:30:40 0.032165 0.0345 BFGS: 2185 16:30:40 0.031648 0.0343 BFGS: 2186 16:30:40 0.031138 0.0340 BFGS: 2187 16:30:40 0.030635 0.0337 BFGS: 2188 16:30:40 0.030138 0.0334 BFGS: 2189 16:30:40 0.029648 0.0331 BFGS: 2190 16:30:40 0.029165 0.0328 BFGS: 2191 16:30:40 0.028688 0.0325 BFGS: 2192 16:30:40 0.028218 0.0323 BFGS: 2193 16:30:40 0.027753 0.0320 BFGS: 2194 16:30:40 0.027291 0.0317 BFGS: 2195 16:30:40 0.026834 0.0314 BFGS: 2196 16:30:40 0.026381 0.0311 BFGS: 2197 16:30:40 0.025932 0.0309 BFGS: 2198 16:30:40 0.025487 0.0306 BFGS: 2199 16:30:40 0.025046 0.0303 BFGS: 2200 16:30:40 0.024609 0.0300 BFGS: 2201 16:30:40 0.024176 0.0297 BFGS: 2202 16:30:40 0.023747 0.0295 BFGS: 2203 16:30:40 0.023323 0.0292 BFGS: 2204 16:30:40 0.022902 0.0289 BFGS: 2205 16:30:40 0.022486 0.0286 BFGS: 2206 16:30:40 0.022073 0.0283 BFGS: 2207 16:30:40 0.021665 0.0281 BFGS: 2208 16:30:40 0.021260 0.0278 BFGS: 2209 16:30:40 0.020860 0.0275 BFGS: 2210 16:30:40 0.020463 0.0272 BFGS: 2211 16:30:40 0.020071 0.0270 BFGS: 2212 16:30:40 0.019682 0.0267 BFGS: 2213 16:30:40 0.019298 0.0264 BFGS: 2214 16:30:40 0.018917 0.0261 BFGS: 2215 16:30:40 0.018541 0.0259 BFGS: 2216 16:30:40 0.018168 0.0256 BFGS: 2217 16:30:40 0.017799 0.0253 BFGS: 2218 16:30:40 0.017435 0.0251 BFGS: 2219 16:30:40 0.017074 0.0248 BFGS: 2220 16:30:40 0.016717 0.0245 BFGS: 2221 16:30:40 0.016364 0.0242 BFGS: 2222 16:30:40 0.016015 0.0240 BFGS: 2223 16:30:40 0.015670 0.0237 BFGS: 2224 16:30:40 0.015329 0.0234 BFGS: 2225 16:30:40 0.014992 0.0232 BFGS: 2226 16:30:40 0.014659 0.0229 BFGS: 2227 16:30:40 0.014329 0.0226 BFGS: 2228 16:30:40 0.014004 0.0224 BFGS: 2229 16:30:40 0.013682 0.0221 BFGS: 2230 16:30:40 0.013364 0.0218 BFGS: 2231 16:30:40 0.013050 0.0216 BFGS: 2232 16:30:40 0.012740 0.0213 BFGS: 2233 16:30:40 0.012434 0.0210 BFGS: 2234 16:30:40 0.012132 0.0208 BFGS: 2235 16:30:40 0.011833 0.0205 BFGS: 2236 16:30:40 0.011538 0.0202 BFGS: 2237 16:30:40 0.011248 0.0200 BFGS: 2238 16:30:40 0.010961 0.0197 BFGS: 2239 16:30:40 0.010677 0.0195 BFGS: 2240 16:30:40 0.010398 0.0192 BFGS: 2241 16:30:40 0.010123 0.0189 BFGS: 2242 16:30:41 0.009851 0.0187 BFGS: 2243 16:30:41 0.009583 0.0184 BFGS: 2244 16:30:41 0.009319 0.0181 BFGS: 2245 16:30:41 0.009059 0.0179 BFGS: 2246 16:30:41 0.008802 0.0176 BFGS: 2247 16:30:41 0.008549 0.0174 BFGS: 2248 16:30:41 0.008300 0.0171 BFGS: 2249 16:30:41 0.008055 0.0168 BFGS: 2250 16:30:41 0.007814 0.0166 BFGS: 2251 16:30:41 0.007576 0.0163 BFGS: 2252 16:30:41 0.007342 0.0161 BFGS: 2253 16:30:41 0.007112 0.0158 BFGS: 2254 16:30:41 0.006886 0.0155 BFGS: 2255 16:30:41 0.006663 0.0153 BFGS: 2256 16:30:41 0.006445 0.0150 BFGS: 2257 16:30:41 0.006229 0.0148 BFGS: 2258 16:30:41 0.006018 0.0145 BFGS: 2259 16:30:41 0.005810 0.0143 BFGS: 2260 16:30:41 0.005607 0.0140 BFGS: 2261 16:30:41 0.005406 0.0137 BFGS: 2262 16:30:41 0.005210 0.0135 BFGS: 2263 16:30:41 0.005017 0.0132 BFGS: 2264 16:30:41 0.004828 0.0130 BFGS: 2265 16:30:41 0.004643 0.0127 BFGS: 2266 16:30:41 0.004461 0.0125 BFGS: 2267 16:30:41 0.004283 0.0122 BFGS: 2268 16:30:41 0.004109 0.0120 BFGS: 2269 16:30:41 0.003938 0.0117 BFGS: 2270 16:30:41 0.003771 0.0115 BFGS: 2271 16:30:41 0.003608 0.0112 BFGS: 2272 16:30:41 0.003449 0.0110 BFGS: 2273 16:30:41 0.003293 0.0107 BFGS: 2274 16:30:41 0.003141 0.0105 BFGS: 2275 16:30:41 0.002992 0.0102 BFGS: 2276 16:30:41 0.002847 0.0099 BFGS: 2277 16:30:41 0.002706 0.0097 BFGS: 2278 16:30:41 0.002568 0.0094 BFGS: 2279 16:30:41 0.002434 0.0092 BFGS: 2280 16:30:41 0.002304 0.0089 BFGS: 2281 16:30:41 0.002177 0.0087 BFGS: 2282 16:30:41 0.002054 0.0084 BFGS: 2283 16:30:41 0.001935 0.0082 BFGS: 2284 16:30:41 0.001819 0.0079 BFGS: 2285 16:30:41 0.001707 0.0077 BFGS: 2286 16:30:41 0.001598 0.0075 BFGS: 2287 16:30:41 0.001494 0.0072 BFGS: 2288 16:30:41 0.001392 0.0070 BFGS: 2289 16:30:41 0.001294 0.0067 BFGS: 2290 16:30:41 0.001200 0.0065 BFGS: 2291 16:30:41 0.001110 0.0062 BFGS: 2292 16:30:41 0.001023 0.0060 BFGS: 2293 16:30:41 0.000939 0.0057 BFGS: 2294 16:30:41 0.000860 0.0055 BFGS: 2295 16:30:41 0.000783 0.0052 BFGS: 2296 16:30:41 0.000711 0.0050 BFGS: 2297 16:30:41 0.000642 0.0047 BFGS: 2298 16:30:41 0.000576 0.0045 BFGS: 2299 16:30:41 0.000514 0.0042 BFGS: 2300 16:30:41 0.000456 0.0040 BFGS: 2301 16:30:41 0.000401 0.0037 BFGS: 2302 16:30:41 0.000349 0.0035 BFGS: 2303 16:30:41 0.000302 0.0033 BFGS: 2304 16:30:41 0.000257 0.0031 BFGS: 2305 16:30:41 0.000217 0.0030 BFGS: 2306 16:30:41 0.000180 0.0029 BFGS: 2307 16:30:41 0.000146 0.0028 BFGS: 2308 16:30:41 0.000116 0.0027 BFGS: 2309 16:30:41 0.000089 0.0026 BFGS: 2310 16:30:41 0.000066 0.0025 BFGS: 2311 16:30:41 0.000047 0.0023 BFGS: 2312 16:30:41 0.000030 0.0022 BFGS: 2313 16:30:41 0.000018 0.0020 BFGS: 2314 16:30:41 0.000009 0.0019 BFGS: 2315 16:30:41 0.000003 0.0017 BFGS: 2316 16:30:41 0.000001 0.0015 BFGS: 2317 16:30:41 0.000001 0.0014 BFGS: 2318 16:30:41 0.000000 0.0008 BFGS: 2319 16:30:41 0.000000 0.0000 BFGS: 2320 16:30:41 0.000000 0.0000 BFGS: 2321 16:30:41 0.000000 0.0000 Minimization converged after 2321 steps. Maximum force component: 2.076122179886983e-12 eV/Angstrom Maximum stress component: 5.967210412077181e-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'] basis = [[2.50000000e-01 2.50000000e-01 1.50387203e-01] [7.50000000e-01 7.50000000e-01 1.50387203e-01] [7.50000000e-01 2.50000000e-01 8.49612797e-01] [2.50000000e-01 7.50000000e-01 8.49612797e-01] [7.50000000e-01 7.50000000e-01 8.49612797e-01] [2.50000000e-01 2.50000000e-01 8.49612797e-01] [2.50000000e-01 7.50000000e-01 1.50387203e-01] [7.50000000e-01 2.50000000e-01 1.50387203e-01] [9.03851199e-17 3.17443000e-01 7.38062127e-01] [9.03851199e-17 6.82557000e-01 7.38062127e-01] [9.03851199e-17 3.17443000e-01 2.61937873e-01] [9.03851199e-17 6.82557000e-01 2.61937873e-01] [5.00000000e-01 8.17443000e-01 7.38062127e-01] [5.00000000e-01 1.82557000e-01 7.38062127e-01] [5.00000000e-01 8.17443000e-01 2.61937873e-01] [5.00000000e-01 1.82557000e-01 2.61937873e-01]] cellpar = Cell([[14.708606381940019, -1.0460228385090911e-34, 0.0], [-1.9330224916764306e-34, 21.10921919392064, 0.0], [0.0, 0.0, 55.60485869138586]]) forces = [[ 1.35973178e-31 1.62619509e-32 -2.07612218e-12] [-3.39932946e-32 6.09823160e-33 -2.07612218e-12] [ 2.83277455e-33 -2.84584141e-32 2.07612218e-12] [-4.46743908e-67 4.87858528e-32 2.07612218e-12] [ 2.26621964e-32 -2.33765545e-32 2.07612218e-12] [ 1.13310982e-32 1.62619509e-32 2.07612218e-12] [-9.06487855e-32 6.44661346e-67 -2.07612218e-12] [ 1.01979884e-31 1.82946948e-32 -2.07612218e-12] [-4.36356818e-48 4.76515496e-13 -2.07612218e-12] [ 4.36356818e-48 -4.76515496e-13 -2.07612218e-12] [-4.36356818e-48 4.76515496e-13 2.07612218e-12] [ 4.36356818e-48 -4.76515496e-13 2.07612218e-12] [-4.36356818e-48 4.76515496e-13 -2.07612218e-12] [ 4.36356818e-48 -4.76515496e-13 -2.07612218e-12] [-4.36356818e-48 4.76515496e-13 2.07612218e-12] [ 4.36356818e-48 -4.76515496e-13 2.07612218e-12]] stress = [-2.09712621e-15 -3.14354435e-16 -5.96721041e-15 0.00000000e+00 0.00000000e+00 -1.32748374e-50] 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 Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 1