element(s): ['Si'] AFLOW prototype label: A_cI82_217_acgh Parameter names: ['a', 'x2', 'x3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.484', '0.60872638', '0.067937819', '0.29127613', '0.022996208', '0.36892608', '0.23626523'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.10872638 0.10872638 0.10872638] [0.06793782 0.06793782 0.29127613] [0.52299621 0.86892608 0.73626523]] spacegroup = 217 cell = [[12.484, 0, 0], [0, 12.484, 0], [0, 0, 12.484]] ========================================= Step Time Energy fmax BFGS: 0 17:21:18 1318.217750 19.059060 BFGS: 1 17:21:19 1315.182246 19.009589 BFGS: 2 17:21:20 1312.177984 18.960307 BFGS: 3 17:21:20 1309.199800 18.911197 BFGS: 4 17:21:21 1306.244011 18.862245 BFGS: 5 17:21:22 1303.307894 18.813442 BFGS: 6 17:21:24 1300.389373 18.764780 BFGS: 7 17:21:25 1297.486825 18.716252 BFGS: 8 17:21:26 1294.598959 18.667853 BFGS: 9 17:21:26 1291.724719 18.619779 BFGS: 10 17:21:27 1288.863171 18.572195 BFGS: 11 17:21:30 1286.013566 18.524727 BFGS: 12 17:21:32 1283.175297 18.477372 BFGS: 13 17:21:34 1280.347846 18.430129 BFGS: 14 17:21:37 1277.530768 18.382994 BFGS: 15 17:21:38 1274.723676 18.335967 BFGS: 16 17:21:39 1271.926232 18.289045 BFGS: 17 17:21:42 1269.138140 18.242227 BFGS: 18 17:21:43 1266.359135 18.195513 BFGS: 19 17:21:44 1263.588981 18.148899 BFGS: 20 17:21:46 1260.827468 18.102387 BFGS: 21 17:21:49 1258.074403 18.055974 BFGS: 22 17:21:51 1255.329611 18.009660 BFGS: 23 17:21:52 1252.592933 17.963443 BFGS: 24 17:21:54 1249.864221 17.917324 BFGS: 25 17:21:55 1247.143338 17.871301 BFGS: 26 17:21:55 1244.430155 17.825374 BFGS: 27 17:21:57 1241.724553 17.779542 BFGS: 28 17:21:58 1239.026417 17.733804 BFGS: 29 17:21:59 1236.335638 17.688160 BFGS: 30 17:22:00 1233.652114 17.642609 BFGS: 31 17:22:01 1230.975742 17.597151 BFGS: 32 17:22:03 1228.306427 17.551785 BFGS: 33 17:22:03 1225.644074 17.506511 BFGS: 34 17:22:05 1222.988542 17.461904 BFGS: 35 17:22:07 1220.339438 17.417408 BFGS: 36 17:22:09 1217.696688 17.372999 BFGS: 37 17:22:11 1215.060226 17.328675 BFGS: 38 17:22:12 1212.429985 17.284437 BFGS: 39 17:22:14 1209.805894 17.240284 BFGS: 40 17:22:15 1207.187881 17.196216 BFGS: 41 17:22:17 1204.575871 17.152232 BFGS: 42 17:22:19 1201.969786 17.108332 BFGS: 43 17:22:22 1199.369545 17.064515 BFGS: 44 17:22:23 1196.775066 17.020780 BFGS: 45 17:22:25 1194.186261 16.977128 BFGS: 46 17:22:28 1191.603040 16.933556 BFGS: 47 17:22:30 1189.025311 16.890065 BFGS: 48 17:22:33 1186.452977 16.846654 BFGS: 49 17:22:34 1183.885938 16.803322 BFGS: 50 17:22:35 1181.324090 16.760067 BFGS: 51 17:22:36 1178.767325 16.716890 BFGS: 52 17:22:37 1176.215532 16.673789 BFGS: 53 17:22:38 1173.668595 16.630763 BFGS: 54 17:22:40 1171.126395 16.587811 BFGS: 55 17:22:41 1168.588808 16.544932 BFGS: 56 17:22:41 1166.055706 16.502124 BFGS: 57 17:22:42 1163.526956 16.459386 BFGS: 58 17:22:44 1161.002424 16.416717 BFGS: 59 17:22:46 1158.481967 16.374115 BFGS: 60 17:22:49 1155.965443 16.331579 BFGS: 61 17:22:49 1153.452698 16.289260 BFGS: 62 17:22:50 1150.943391 16.247778 BFGS: 63 17:22:50 1148.437107 16.206599 BFGS: 64 17:22:50 1145.933474 16.165643 BFGS: 65 17:22:50 1143.432229 16.124758 BFGS: 66 17:22:50 1140.933207 16.083942 BFGS: 67 17:22:51 1138.436239 16.043191 BFGS: 68 17:22:51 1135.941155 16.002505 BFGS: 69 17:22:52 1133.447758 15.962250 BFGS: 70 17:22:53 1130.955882 15.922110 BFGS: 71 17:22:53 1128.465356 15.882026 BFGS: 72 17:22:54 1125.976005 15.841993 BFGS: 73 17:22:55 1123.487656 15.802010 BFGS: 74 17:22:56 1121.000143 15.762073 BFGS: 75 17:22:57 1118.513303 15.722179 BFGS: 76 17:22:57 1116.026969 15.682570 BFGS: 77 17:22:58 1113.541017 15.643101 BFGS: 78 17:22:58 1111.055325 15.603666 BFGS: 79 17:22:59 1108.569758 15.564391 BFGS: 80 17:23:02 1106.083970 15.526096 BFGS: 81 17:23:02 1103.597582 15.488456 BFGS: 82 17:23:03 1101.110153 15.451474 BFGS: 83 17:23:03 1098.621569 15.414531 BFGS: 84 17:23:03 1096.131799 15.377623 BFGS: 85 17:23:03 1093.640840 15.340745 BFGS: 86 17:23:04 1091.148711 15.303894 BFGS: 87 17:23:04 1088.655453 15.267065 BFGS: 88 17:23:04 1086.161126 15.230254 BFGS: 89 17:23:04 1083.665798 15.193460 BFGS: 90 17:23:04 1081.169552 15.156679 BFGS: 91 17:23:04 1078.672473 15.119908 BFGS: 92 17:23:04 1076.174651 15.083145 BFGS: 93 17:23:05 1073.676179 15.046389 BFGS: 94 17:23:05 1071.177149 15.009637 BFGS: 95 17:23:05 1068.677653 14.972889 BFGS: 96 17:23:05 1066.177784 14.936142 BFGS: 97 17:23:05 1063.677631 14.899395 BFGS: 98 17:23:05 1061.177286 14.862649 BFGS: 99 17:23:05 1058.676841 14.825900 BFGS: 100 17:23:05 1056.176386 14.789150 BFGS: 101 17:23:05 1053.676013 14.752396 BFGS: 102 17:23:05 1051.175816 14.715639 BFGS: 103 17:23:05 1048.675887 14.678877 BFGS: 104 17:23:05 1046.176321 14.642111 BFGS: 105 17:23:06 1043.677214 14.605339 BFGS: 106 17:23:06 1041.178664 14.568562 BFGS: 107 17:23:06 1038.680770 14.531778 BFGS: 108 17:23:06 1036.183632 14.494988 BFGS: 109 17:23:06 1033.687353 14.458191 BFGS: 110 17:23:06 1031.192037 14.421388 BFGS: 111 17:23:06 1028.697789 14.384577 BFGS: 112 17:23:06 1026.204718 14.347779 BFGS: 113 17:23:06 1023.712681 14.312194 BFGS: 114 17:23:06 1021.221409 14.276704 BFGS: 115 17:23:07 1018.731010 14.241235 BFGS: 116 17:23:07 1016.241610 14.205755 BFGS: 117 17:23:07 1013.753337 14.170266 BFGS: 118 17:23:07 1011.266309 14.135021 BFGS: 119 17:23:08 1008.780682 14.099968 BFGS: 120 17:23:08 1006.296628 14.064907 BFGS: 121 17:23:09 1003.814268 14.029837 BFGS: 122 17:23:09 1001.333726 13.994758 BFGS: 123 17:23:09 998.855127 13.959671 BFGS: 124 17:23:10 996.378603 13.924575 BFGS: 125 17:23:10 993.904229 13.889883 BFGS: 126 17:23:10 991.431951 13.855269 BFGS: 127 17:23:10 988.961888 13.820650 BFGS: 128 17:23:10 986.494183 13.786027 BFGS: 129 17:23:10 984.028869 13.752246 BFGS: 130 17:23:10 981.565715 13.718614 BFGS: 131 17:23:10 979.104850 13.684975 BFGS: 132 17:23:11 976.646442 13.651329 BFGS: 133 17:23:11 974.190656 13.617677 BFGS: 134 17:23:11 971.737660 13.584018 BFGS: 135 17:23:12 969.287618 13.550352 BFGS: 136 17:23:12 966.840699 13.516680 BFGS: 137 17:23:12 964.397068 13.483002 BFGS: 138 17:23:12 961.956893 13.449317 BFGS: 139 17:23:12 959.520327 13.415840 BFGS: 140 17:23:12 957.087283 13.383001 BFGS: 141 17:23:13 954.658003 13.350157 BFGS: 142 17:23:13 952.232617 13.317307 BFGS: 143 17:23:13 949.811257 13.284451 BFGS: 144 17:23:13 947.394061 13.251590 BFGS: 145 17:23:13 944.981172 13.218798 BFGS: 146 17:23:13 942.572710 13.186165 BFGS: 147 17:23:14 940.168796 13.153528 BFGS: 148 17:23:14 937.769589 13.120887 BFGS: 149 17:23:15 935.375248 13.088243 BFGS: 150 17:23:16 932.985933 13.055596 BFGS: 151 17:23:16 930.601807 13.022947 BFGS: 152 17:23:16 928.223032 12.990296 BFGS: 153 17:23:17 925.849773 12.957644 BFGS: 154 17:23:17 923.482193 12.924991 BFGS: 155 17:23:18 921.120458 12.892337 BFGS: 156 17:23:18 918.764734 12.859684 BFGS: 157 17:23:18 916.415186 12.827030 BFGS: 158 17:23:18 914.071980 12.794378 BFGS: 159 17:23:19 911.735283 12.761728 BFGS: 160 17:23:19 909.405260 12.729079 BFGS: 161 17:23:19 907.082077 12.696434 BFGS: 162 17:23:20 904.765899 12.663791 BFGS: 163 17:23:20 902.456893 12.631152 BFGS: 164 17:23:20 900.155221 12.598518 BFGS: 165 17:23:20 897.861049 12.565889 BFGS: 166 17:23:21 895.574539 12.533265 BFGS: 167 17:23:21 893.295853 12.500647 BFGS: 168 17:23:21 891.025154 12.468036 BFGS: 169 17:23:21 888.762600 12.435432 BFGS: 170 17:23:21 886.508353 12.402836 BFGS: 171 17:23:22 884.262569 12.370248 BFGS: 172 17:23:22 882.025405 12.337670 BFGS: 173 17:23:22 879.797016 12.305101 BFGS: 174 17:23:22 877.577556 12.272542 BFGS: 175 17:23:22 875.367177 12.239995 BFGS: 176 17:23:22 873.166029 12.207459 BFGS: 177 17:23:23 870.974259 12.174935 BFGS: 178 17:23:23 868.792016 12.142424 BFGS: 179 17:23:23 866.619443 12.109927 BFGS: 180 17:23:24 864.456681 12.077443 BFGS: 181 17:23:24 862.303864 12.045198 BFGS: 182 17:23:24 860.161052 12.013443 BFGS: 183 17:23:24 858.028333 11.981744 BFGS: 184 17:23:24 855.905832 11.950061 BFGS: 185 17:23:24 853.793546 11.919240 BFGS: 186 17:23:24 851.691072 11.888817 BFGS: 187 17:23:24 849.598448 11.858412 BFGS: 188 17:23:24 847.515812 11.828024 BFGS: 189 17:23:24 845.443301 11.797654 BFGS: 190 17:23:25 843.381046 11.767302 BFGS: 191 17:23:25 841.329174 11.736969 BFGS: 192 17:23:25 839.287810 11.706655 BFGS: 193 17:23:25 837.257074 11.676360 BFGS: 194 17:23:25 835.237083 11.646085 BFGS: 195 17:23:25 833.227950 11.615830 BFGS: 196 17:23:25 831.229784 11.585689 BFGS: 197 17:23:25 829.242410 11.556605 BFGS: 198 17:23:25 827.265361 11.528301 BFGS: 199 17:23:26 825.298368 11.500286 BFGS: 200 17:23:26 823.341503 11.472287 BFGS: 201 17:23:26 821.394815 11.445016 BFGS: 202 17:23:26 819.457888 11.418662 BFGS: 203 17:23:26 817.530857 11.392314 BFGS: 204 17:23:26 815.613849 11.366434 BFGS: 205 17:23:27 813.707220 11.341060 BFGS: 206 17:23:27 811.811121 11.315688 BFGS: 207 17:23:27 809.925618 11.290318 BFGS: 208 17:23:27 808.050773 11.264951 BFGS: 209 17:23:28 806.186644 11.239587 BFGS: 210 17:23:28 804.333288 11.214228 BFGS: 211 17:23:28 802.490739 11.189171 BFGS: 212 17:23:29 800.659101 11.164147 BFGS: 213 17:23:29 798.838415 11.139130 BFGS: 214 17:23:29 797.028712 11.114119 BFGS: 215 17:23:29 795.230019 11.089115 BFGS: 216 17:23:29 793.442359 11.064119 BFGS: 217 17:23:29 791.665752 11.039131 BFGS: 218 17:23:29 789.900213 11.014151 BFGS: 219 17:23:29 788.145753 10.989179 BFGS: 220 17:23:29 786.402380 10.964217 BFGS: 221 17:23:29 784.670095 10.939263 BFGS: 222 17:23:29 782.948896 10.914319 BFGS: 223 17:23:29 781.238777 10.889384 BFGS: 224 17:23:29 779.539727 10.864459 BFGS: 225 17:23:29 777.851729 10.839545 BFGS: 226 17:23:29 776.174764 10.814641 BFGS: 227 17:23:29 774.508806 10.789747 BFGS: 228 17:23:29 772.853825 10.764864 BFGS: 229 17:23:29 771.209787 10.739992 BFGS: 230 17:23:30 769.576655 10.715131 BFGS: 231 17:23:30 767.954383 10.690282 BFGS: 232 17:23:30 766.342925 10.665444 BFGS: 233 17:23:30 764.742230 10.640617 BFGS: 234 17:23:30 763.152240 10.615802 BFGS: 235 17:23:30 761.572896 10.590999 BFGS: 236 17:23:31 760.004134 10.566208 BFGS: 237 17:23:31 758.445886 10.541429 BFGS: 238 17:23:31 756.898080 10.516662 BFGS: 239 17:23:31 755.360642 10.491908 BFGS: 240 17:23:32 753.833491 10.467165 BFGS: 241 17:23:32 752.316547 10.442435 BFGS: 242 17:23:32 750.809706 10.418036 BFGS: 243 17:23:32 749.312835 10.393818 BFGS: 244 17:23:32 747.825846 10.369613 BFGS: 245 17:23:32 746.348641 10.345421 BFGS: 246 17:23:32 744.881119 10.321242 BFGS: 247 17:23:33 743.423178 10.297076 BFGS: 248 17:23:33 741.974715 10.272924 BFGS: 249 17:23:33 740.535623 10.248785 BFGS: 250 17:23:33 739.105796 10.224659 BFGS: 251 17:23:33 737.685126 10.200545 BFGS: 252 17:23:33 736.273502 10.176445 BFGS: 253 17:23:33 734.870813 10.152357 BFGS: 254 17:23:33 733.476949 10.128282 BFGS: 255 17:23:34 732.091797 10.104219 BFGS: 256 17:23:34 730.715243 10.080169 BFGS: 257 17:23:34 729.347175 10.056130 BFGS: 258 17:23:34 727.987433 10.032606 BFGS: 259 17:23:34 726.635424 10.009849 BFGS: 260 17:23:34 725.290848 9.987108 BFGS: 261 17:23:34 723.953583 9.964381 BFGS: 262 17:23:34 722.623511 9.941669 BFGS: 263 17:23:34 721.300511 9.918970 BFGS: 264 17:23:35 719.984468 9.896283 BFGS: 265 17:23:35 718.675268 9.873609 BFGS: 266 17:23:35 717.372797 9.850946 BFGS: 267 17:23:36 716.076947 9.828293 BFGS: 268 17:23:36 714.787608 9.805651 BFGS: 269 17:23:36 713.504675 9.783019 BFGS: 270 17:23:37 712.228043 9.760395 BFGS: 271 17:23:37 710.957612 9.737780 BFGS: 272 17:23:37 709.693283 9.715173 BFGS: 273 17:23:37 708.434958 9.692573 BFGS: 274 17:23:38 707.182544 9.669979 BFGS: 275 17:23:38 705.935948 9.647392 BFGS: 276 17:23:38 704.695083 9.624810 BFGS: 277 17:23:38 703.459860 9.602233 BFGS: 278 17:23:38 702.230198 9.579661 BFGS: 279 17:23:38 701.006013 9.557093 BFGS: 280 17:23:38 699.787227 9.534528 BFGS: 281 17:23:38 698.573765 9.511966 BFGS: 282 17:23:38 697.365553 9.489407 BFGS: 283 17:23:38 696.162520 9.466849 BFGS: 284 17:23:38 694.964598 9.444294 BFGS: 285 17:23:38 693.771722 9.421739 BFGS: 286 17:23:38 692.583829 9.399185 BFGS: 287 17:23:38 691.400859 9.376693 BFGS: 288 17:23:38 690.222730 9.354446 BFGS: 289 17:23:39 689.049377 9.332200 BFGS: 290 17:23:39 687.880745 9.310046 BFGS: 291 17:23:39 686.716721 9.288089 BFGS: 292 17:23:39 685.557206 9.266134 BFGS: 293 17:23:39 684.402149 9.244182 BFGS: 294 17:23:39 683.251506 9.222233 BFGS: 295 17:23:39 682.105232 9.200286 BFGS: 296 17:23:39 680.963286 9.178341 BFGS: 297 17:23:39 679.825629 9.156397 BFGS: 298 17:23:39 678.692226 9.134454 BFGS: 299 17:23:39 677.563042 9.112513 BFGS: 300 17:23:39 676.438045 9.090572 BFGS: 301 17:23:39 675.317206 9.068631 BFGS: 302 17:23:39 674.200487 9.046897 BFGS: 303 17:23:39 673.087737 9.025690 BFGS: 304 17:23:39 671.978920 9.004482 BFGS: 305 17:23:39 670.874011 8.983983 BFGS: 306 17:23:40 669.772974 8.963768 BFGS: 307 17:23:40 668.675831 8.943554 BFGS: 308 17:23:40 667.582557 8.923341 BFGS: 309 17:23:40 666.493127 8.903128 BFGS: 310 17:23:40 665.407521 8.882948 BFGS: 311 17:23:40 664.325467 8.863504 BFGS: 312 17:23:40 663.246701 8.844057 BFGS: 313 17:23:40 662.171205 8.824607 BFGS: 314 17:23:40 661.098967 8.805153 BFGS: 315 17:23:41 660.029973 8.785696 BFGS: 316 17:23:41 658.964213 8.766235 BFGS: 317 17:23:41 657.901680 8.746771 BFGS: 318 17:23:41 656.842366 8.727303 BFGS: 319 17:23:41 655.786265 8.707831 BFGS: 320 17:23:41 654.733373 8.688355 BFGS: 321 17:23:42 653.683687 8.668875 BFGS: 322 17:23:42 652.637203 8.649391 BFGS: 323 17:23:42 651.593921 8.629902 BFGS: 324 17:23:42 650.553838 8.610410 BFGS: 325 17:23:42 649.516955 8.590913 BFGS: 326 17:23:42 648.483271 8.571413 BFGS: 327 17:23:42 647.452785 8.551908 BFGS: 328 17:23:42 646.425499 8.532399 BFGS: 329 17:23:42 645.401412 8.512887 BFGS: 330 17:23:42 644.380525 8.493370 BFGS: 331 17:23:42 643.362839 8.473850 BFGS: 332 17:23:42 642.348354 8.454326 BFGS: 333 17:23:42 641.337066 8.434893 BFGS: 334 17:23:43 640.328633 8.416216 BFGS: 335 17:23:43 639.322867 8.397734 BFGS: 336 17:23:43 638.319893 8.379588 BFGS: 337 17:23:43 637.319784 8.361428 BFGS: 338 17:23:43 636.322537 8.343257 BFGS: 339 17:23:43 635.328153 8.325073 BFGS: 340 17:23:43 634.336633 8.306878 BFGS: 341 17:23:43 633.347978 8.288671 BFGS: 342 17:23:43 632.362192 8.270453 BFGS: 343 17:23:43 631.379275 8.252223 BFGS: 344 17:23:44 630.399231 8.233983 BFGS: 345 17:23:44 629.422061 8.215732 BFGS: 346 17:23:44 628.447767 8.197471 BFGS: 347 17:23:44 627.476351 8.179200 BFGS: 348 17:23:45 626.507815 8.160919 BFGS: 349 17:23:45 625.542159 8.142628 BFGS: 350 17:23:45 624.579384 8.124327 BFGS: 351 17:23:45 623.619489 8.106018 BFGS: 352 17:23:45 622.662475 8.087699 BFGS: 353 17:23:45 621.708340 8.069371 BFGS: 354 17:23:45 620.757083 8.051035 BFGS: 355 17:23:45 619.808702 8.032691 BFGS: 356 17:23:45 618.863193 8.014338 BFGS: 357 17:23:46 617.920554 7.995977 BFGS: 358 17:23:46 616.980710 7.978195 BFGS: 359 17:23:46 616.043491 7.960593 BFGS: 360 17:23:46 615.108885 7.942985 BFGS: 361 17:23:46 614.176887 7.925370 BFGS: 362 17:23:46 613.247493 7.907748 BFGS: 363 17:23:47 612.320697 7.890119 BFGS: 364 17:23:47 611.396495 7.872484 BFGS: 365 17:23:47 610.474883 7.854843 BFGS: 366 17:23:47 609.555853 7.837196 BFGS: 367 17:23:47 608.639390 7.819775 BFGS: 368 17:23:47 607.725448 7.802567 BFGS: 369 17:23:47 606.814028 7.785357 BFGS: 370 17:23:47 605.905120 7.768147 BFGS: 371 17:23:47 604.998658 7.751449 BFGS: 372 17:23:47 604.094357 7.735270 BFGS: 373 17:23:48 603.192211 7.719089 BFGS: 374 17:23:48 602.292212 7.702905 BFGS: 375 17:23:48 601.394356 7.686717 BFGS: 376 17:23:48 600.498635 7.670526 BFGS: 377 17:23:48 599.605044 7.654333 BFGS: 378 17:23:48 598.713579 7.638135 BFGS: 379 17:23:48 597.824233 7.621935 BFGS: 380 17:23:48 596.937001 7.605731 BFGS: 381 17:23:48 596.051879 7.589524 BFGS: 382 17:23:48 595.168862 7.573313 BFGS: 383 17:23:48 594.287943 7.557099 BFGS: 384 17:23:49 593.409120 7.540882 BFGS: 385 17:23:49 592.532379 7.524890 BFGS: 386 17:23:49 591.657603 7.509635 BFGS: 387 17:23:49 590.784862 7.494381 BFGS: 388 17:23:49 589.914139 7.479127 BFGS: 389 17:23:49 589.045420 7.463874 BFGS: 390 17:23:49 588.178690 7.448620 BFGS: 391 17:23:49 587.313936 7.433367 BFGS: 392 17:23:49 586.451144 7.418114 BFGS: 393 17:23:49 585.590301 7.402861 BFGS: 394 17:23:49 584.731394 7.387607 BFGS: 395 17:23:49 583.874411 7.372354 BFGS: 396 17:23:49 583.019339 7.357100 BFGS: 397 17:23:49 582.166168 7.341845 BFGS: 398 17:23:49 581.314885 7.326590 BFGS: 399 17:23:49 580.465479 7.311335 BFGS: 400 17:23:49 579.617939 7.296079 BFGS: 401 17:23:50 578.772255 7.280822 BFGS: 402 17:23:50 577.928415 7.265564 BFGS: 403 17:23:50 577.086409 7.250306 BFGS: 404 17:23:50 576.246228 7.235047 BFGS: 405 17:23:50 575.407859 7.219786 BFGS: 406 17:23:50 574.571295 7.204525 BFGS: 407 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3.254344 BFGS: 790 17:24:10 255.229861 3.247429 BFGS: 791 17:24:10 254.744475 3.240521 BFGS: 792 17:24:10 254.260071 3.233619 BFGS: 793 17:24:10 253.776641 3.226724 BFGS: 794 17:24:10 253.294179 3.219835 BFGS: 795 17:24:10 252.812679 3.212952 BFGS: 796 17:24:10 252.332134 3.206076 BFGS: 797 17:24:10 251.852536 3.199206 BFGS: 798 17:24:10 251.373880 3.192342 BFGS: 799 17:24:10 250.896159 3.185484 BFGS: 800 17:24:10 250.419365 3.178632 BFGS: 801 17:24:10 249.943492 3.171787 BFGS: 802 17:24:10 249.468533 3.164947 BFGS: 803 17:24:10 248.994480 3.158113 BFGS: 804 17:24:10 248.521328 3.151286 BFGS: 805 17:24:10 248.049068 3.144464 BFGS: 806 17:24:10 247.577695 3.137648 BFGS: 807 17:24:10 247.107200 3.130838 BFGS: 808 17:24:11 246.637576 3.124034 BFGS: 809 17:24:11 246.168817 3.117236 BFGS: 810 17:24:11 245.700915 3.110443 BFGS: 811 17:24:11 245.233864 3.103656 BFGS: 812 17:24:11 244.767655 3.096874 BFGS: 813 17:24:11 244.302283 3.090098 BFGS: 814 17:24:11 243.837739 3.083328 BFGS: 815 17:24:11 243.374016 3.076563 BFGS: 816 17:24:11 242.911108 3.069803 BFGS: 817 17:24:11 242.449007 3.063049 BFGS: 818 17:24:11 241.987707 3.056299 BFGS: 819 17:24:11 241.527200 3.049555 BFGS: 820 17:24:11 241.067480 3.042816 BFGS: 821 17:24:11 240.608540 3.036082 BFGS: 822 17:24:11 240.150373 3.029352 BFGS: 823 17:24:11 239.692972 3.022628 BFGS: 824 17:24:11 239.236292 3.016260 BFGS: 825 17:24:11 238.780223 3.010131 BFGS: 826 17:24:11 238.324777 3.004004 BFGS: 827 17:24:11 237.869947 2.997878 BFGS: 828 17:24:12 237.415727 2.991754 BFGS: 829 17:24:12 236.962111 2.985630 BFGS: 830 17:24:12 236.509094 2.979507 BFGS: 831 17:24:12 236.056611 2.973826 BFGS: 832 17:24:12 235.604593 2.968264 BFGS: 833 17:24:12 235.153047 2.962705 BFGS: 834 17:24:12 234.701964 2.957148 BFGS: 835 17:24:12 234.251337 2.951594 BFGS: 836 17:24:13 233.801158 2.946041 BFGS: 837 17:24:13 233.351423 2.940490 BFGS: 838 17:24:13 232.902127 2.934940 BFGS: 839 17:24:13 232.453264 2.929391 BFGS: 840 17:24:13 232.004831 2.923842 BFGS: 841 17:24:13 231.556825 2.918294 BFGS: 842 17:24:13 231.109243 2.912746 BFGS: 843 17:24:13 230.662084 2.907197 BFGS: 844 17:24:13 230.215345 2.901648 BFGS: 845 17:24:13 229.769025 2.896098 BFGS: 846 17:24:14 229.323125 2.890547 BFGS: 847 17:24:14 228.877644 2.884995 BFGS: 848 17:24:14 228.432583 2.879442 BFGS: 849 17:24:14 227.987943 2.873886 BFGS: 850 17:24:14 227.543725 2.868330 BFGS: 851 17:24:14 227.099931 2.862771 BFGS: 852 17:24:14 226.656565 2.857209 BFGS: 853 17:24:14 226.213629 2.851646 BFGS: 854 17:24:14 225.771126 2.846079 BFGS: 855 17:24:14 225.329061 2.840511 BFGS: 856 17:24:14 224.887438 2.834939 BFGS: 857 17:24:14 224.446262 2.829364 BFGS: 858 17:24:14 224.005539 2.823786 BFGS: 859 17:24:14 223.565274 2.818204 BFGS: 860 17:24:14 223.125473 2.812619 BFGS: 861 17:24:14 222.686145 2.807031 BFGS: 862 17:24:14 222.247295 2.801439 BFGS: 863 17:24:14 221.808932 2.795843 BFGS: 864 17:24:14 221.371064 2.790243 BFGS: 865 17:24:14 220.933699 2.784639 BFGS: 866 17:24:14 220.496846 2.779031 BFGS: 867 17:24:15 220.060515 2.773418 BFGS: 868 17:24:15 219.624716 2.767801 BFGS: 869 17:24:15 219.189459 2.762180 BFGS: 870 17:24:15 218.754754 2.756555 BFGS: 871 17:24:15 218.320612 2.750925 BFGS: 872 17:24:15 217.887045 2.745290 BFGS: 873 17:24:15 217.454064 2.739651 BFGS: 874 17:24:15 217.021682 2.734007 BFGS: 875 17:24:15 216.589909 2.728358 BFGS: 876 17:24:15 216.158759 2.722704 BFGS: 877 17:24:15 215.728245 2.717046 BFGS: 878 17:24:15 215.298379 2.711383 BFGS: 879 17:24:15 214.869175 2.705716 BFGS: 880 17:24:15 214.440645 2.700043 BFGS: 881 17:24:15 214.012805 2.694366 BFGS: 882 17:24:15 213.585666 2.688684 BFGS: 883 17:24:16 213.159244 2.682997 BFGS: 884 17:24:16 212.733552 2.677306 BFGS: 885 17:24:16 212.308604 2.671610 BFGS: 886 17:24:16 211.884414 2.665909 BFGS: 887 17:24:16 211.460997 2.660204 BFGS: 888 17:24:16 211.038366 2.654494 BFGS: 889 17:24:16 210.616532 2.648898 BFGS: 890 17:24:16 210.195256 2.643926 BFGS: 891 17:24:16 209.774308 2.638952 BFGS: 892 17:24:16 209.353699 2.633976 BFGS: 893 17:24:16 208.933439 2.628998 BFGS: 894 17:24:16 208.513542 2.624017 BFGS: 895 17:24:16 208.094019 2.619035 BFGS: 896 17:24:16 207.674844 2.614392 BFGS: 897 17:24:16 207.255942 2.609805 BFGS: 898 17:24:16 206.837320 2.605215 BFGS: 899 17:24:16 206.418991 2.600621 BFGS: 900 17:24:16 206.000966 2.596024 BFGS: 901 17:24:16 205.583260 2.591423 BFGS: 902 17:24:16 205.165886 2.586818 BFGS: 903 17:24:16 204.748856 2.582210 BFGS: 904 17:24:16 204.332184 2.577597 BFGS: 905 17:24:16 203.915885 2.572981 BFGS: 906 17:24:16 203.499972 2.568362 BFGS: 907 17:24:16 203.084459 2.563738 BFGS: 908 17:24:16 202.669361 2.559110 BFGS: 909 17:24:17 202.254690 2.554478 BFGS: 910 17:24:17 201.840462 2.549843 BFGS: 911 17:24:17 201.426691 2.545203 BFGS: 912 17:24:17 201.013391 2.540559 BFGS: 913 17:24:17 200.600576 2.535912 BFGS: 914 17:24:17 200.188261 2.531260 BFGS: 915 17:24:17 199.776459 2.526604 BFGS: 916 17:24:17 199.365184 2.521945 BFGS: 917 17:24:17 198.954451 2.517281 BFGS: 918 17:24:17 198.544266 2.512758 BFGS: 919 17:24:17 198.134560 2.508588 BFGS: 920 17:24:17 197.725395 2.504412 BFGS: 921 17:24:17 197.316786 2.500231 BFGS: 922 17:24:17 196.908746 2.496044 BFGS: 923 17:24:17 196.501292 2.491852 BFGS: 924 17:24:17 196.094437 2.487654 BFGS: 925 17:24:17 195.688194 2.483450 BFGS: 926 17:24:17 195.282579 2.479240 BFGS: 927 17:24:17 194.877603 2.475026 BFGS: 928 17:24:17 194.473282 2.470805 BFGS: 929 17:24:17 194.069629 2.466654 BFGS: 930 17:24:17 193.666713 2.462732 BFGS: 931 17:24:17 193.264598 2.458974 BFGS: 932 17:24:17 192.863202 2.455591 BFGS: 933 17:24:17 192.462609 2.452204 BFGS: 934 17:24:17 192.062825 2.448812 BFGS: 935 17:24:17 191.663859 2.445416 BFGS: 936 17:24:17 191.265718 2.442014 BFGS: 937 17:24:18 190.868409 2.438608 BFGS: 938 17:24:18 190.471941 2.435197 BFGS: 939 17:24:18 190.076319 2.431781 BFGS: 940 17:24:18 189.681552 2.428360 BFGS: 941 17:24:18 189.287646 2.424934 BFGS: 942 17:24:18 188.894608 2.421503 BFGS: 943 17:24:18 188.502444 2.418067 BFGS: 944 17:24:18 188.111161 2.414627 BFGS: 945 17:24:18 187.720765 2.411181 BFGS: 946 17:24:18 187.331261 2.407731 BFGS: 947 17:24:18 186.942654 2.404276 BFGS: 948 17:24:18 186.554950 2.400850 BFGS: 949 17:24:18 186.168146 2.397473 BFGS: 950 17:24:19 185.782259 2.394091 BFGS: 951 17:24:19 185.397292 2.390705 BFGS: 952 17:24:19 185.013252 2.387313 BFGS: 953 17:24:19 184.630142 2.383917 BFGS: 954 17:24:19 184.247966 2.380517 BFGS: 955 17:24:19 183.866729 2.377112 BFGS: 956 17:24:19 183.486435 2.373703 BFGS: 957 17:24:19 183.107085 2.370289 BFGS: 958 17:24:19 182.728685 2.366871 BFGS: 959 17:24:19 182.351236 2.363449 BFGS: 960 17:24:19 181.974742 2.360023 BFGS: 961 17:24:19 181.599205 2.356592 BFGS: 962 17:24:19 181.224627 2.353158 BFGS: 963 17:24:19 180.851011 2.349719 BFGS: 964 17:24:19 180.478357 2.346276 BFGS: 965 17:24:19 180.106669 2.342830 BFGS: 966 17:24:19 179.735946 2.339380 BFGS: 967 17:24:19 179.366191 2.335926 BFGS: 968 17:24:19 178.997384 2.332564 BFGS: 969 17:24:19 178.629429 2.329287 BFGS: 970 17:24:19 178.262318 2.326005 BFGS: 971 17:24:19 177.896054 2.322721 BFGS: 972 17:24:19 177.530639 2.319432 BFGS: 973 17:24:20 177.166078 2.316140 BFGS: 974 17:24:20 176.802372 2.312845 BFGS: 975 17:24:20 176.439524 2.309546 BFGS: 976 17:24:20 176.077536 2.306243 BFGS: 977 17:24:20 175.716411 2.302937 BFGS: 978 17:24:20 175.356150 2.299627 BFGS: 979 17:24:20 174.996755 2.296315 BFGS: 980 17:24:20 174.638228 2.292998 BFGS: 981 17:24:20 174.280570 2.289679 BFGS: 982 17:24:20 173.923783 2.286356 BFGS: 983 17:24:20 173.567866 2.283029 BFGS: 984 17:24:20 173.212821 2.279700 BFGS: 985 17:24:20 172.858649 2.276368 BFGS: 986 17:24:20 172.505350 2.273032 BFGS: 987 17:24:20 172.152924 2.269693 BFGS: 988 17:24:20 171.801372 2.266352 BFGS: 989 17:24:20 171.450694 2.263007 BFGS: 990 17:24:20 171.100888 2.259659 BFGS: 991 17:24:20 170.751956 2.256309 BFGS: 992 17:24:20 170.403896 2.252956 BFGS: 993 17:24:20 170.056708 2.249600 BFGS: 994 17:24:20 169.710392 2.246241 BFGS: 995 17:24:20 169.364945 2.242880 BFGS: 996 17:24:21 169.020368 2.239516 BFGS: 997 17:24:21 168.676658 2.236150 BFGS: 998 17:24:21 168.333815 2.232781 BFGS: 999 17:24:21 167.991838 2.229410 BFGS: 1000 17:24:21 167.650724 2.226037 BFGS: 1001 17:24:21 167.310472 2.222661 BFGS: 1002 17:24:21 166.971080 2.219283 BFGS: 1003 17:24:21 166.632547 2.215903 BFGS: 1004 17:24:21 166.294870 2.212520 BFGS: 1005 17:24:21 165.958047 2.209136 BFGS: 1006 17:24:21 165.622076 2.205750 BFGS: 1007 17:24:21 165.286954 2.202362 BFGS: 1008 17:24:21 164.952680 2.198971 BFGS: 1009 17:24:21 164.619251 2.195580 BFGS: 1010 17:24:21 164.286664 2.192186 BFGS: 1011 17:24:21 163.954916 2.188791 BFGS: 1012 17:24:21 163.624005 2.185394 BFGS: 1013 17:24:21 163.293928 2.181995 BFGS: 1014 17:24:21 162.964682 2.178595 BFGS: 1015 17:24:21 162.636265 2.175193 BFGS: 1016 17:24:21 162.308672 2.171790 BFGS: 1017 17:24:22 161.981901 2.168386 BFGS: 1018 17:24:22 161.655949 2.164981 BFGS: 1019 17:24:22 161.330813 2.161574 BFGS: 1020 17:24:22 161.006488 2.158166 BFGS: 1021 17:24:22 160.682973 2.154757 BFGS: 1022 17:24:22 160.360263 2.151347 BFGS: 1023 17:24:22 160.038356 2.147936 BFGS: 1024 17:24:22 159.717247 2.144524 BFGS: 1025 17:24:22 159.396932 2.141111 BFGS: 1026 17:24:22 159.077410 2.137697 BFGS: 1027 17:24:22 158.758675 2.134282 BFGS: 1028 17:24:22 158.440725 2.130867 BFGS: 1029 17:24:22 158.123555 2.127451 BFGS: 1030 17:24:22 157.807162 2.124035 BFGS: 1031 17:24:22 157.491542 2.120617 BFGS: 1032 17:24:22 157.176691 2.117200 BFGS: 1033 17:24:22 156.862605 2.113782 BFGS: 1034 17:24:22 156.549282 2.110363 BFGS: 1035 17:24:22 156.236716 2.106944 BFGS: 1036 17:24:22 155.924904 2.103525 BFGS: 1037 17:24:22 155.613842 2.100105 BFGS: 1038 17:24:22 155.303526 2.096686 BFGS: 1039 17:24:23 154.993952 2.093266 BFGS: 1040 17:24:23 154.685117 2.089846 BFGS: 1041 17:24:23 154.377016 2.086426 BFGS: 1042 17:24:23 154.069645 2.083006 BFGS: 1043 17:24:23 153.763001 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1.994210 BFGS: 1069 17:24:25 146.032223 1.990804 BFGS: 1070 17:24:25 145.743700 1.987400 BFGS: 1071 17:24:25 145.455794 1.983996 BFGS: 1072 17:24:25 145.168486 1.980741 BFGS: 1073 17:24:25 144.881709 1.977488 BFGS: 1074 17:24:25 144.595461 1.974236 BFGS: 1075 17:24:25 144.309739 1.970985 BFGS: 1076 17:24:25 144.024542 1.967734 BFGS: 1077 17:24:25 143.739867 1.964484 BFGS: 1078 17:24:25 143.455711 1.961234 BFGS: 1079 17:24:25 143.172074 1.957986 BFGS: 1080 17:24:25 142.888951 1.954738 BFGS: 1081 17:24:25 142.606342 1.951491 BFGS: 1082 17:24:25 142.324244 1.948244 BFGS: 1083 17:24:25 142.042655 1.944999 BFGS: 1084 17:24:25 141.761572 1.941754 BFGS: 1085 17:24:26 141.480994 1.938511 BFGS: 1086 17:24:26 141.200917 1.935268 BFGS: 1087 17:24:26 140.921341 1.932027 BFGS: 1088 17:24:26 140.642262 1.928786 BFGS: 1089 17:24:26 140.363679 1.925546 BFGS: 1090 17:24:26 140.085588 1.922308 BFGS: 1091 17:24:26 139.807989 1.919070 BFGS: 1092 17:24:26 139.530879 1.915834 BFGS: 1093 17:24:26 139.254256 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17:25:29 0.443543 0.039308 BFGS: 2532 17:25:29 0.436886 0.039016 BFGS: 2533 17:25:29 0.430283 0.038724 BFGS: 2534 17:25:29 0.423736 0.038432 BFGS: 2535 17:25:29 0.417245 0.038140 BFGS: 2536 17:25:30 0.410809 0.037849 BFGS: 2537 17:25:30 0.404428 0.037558 BFGS: 2538 17:25:30 0.398102 0.037268 BFGS: 2539 17:25:30 0.391831 0.036977 BFGS: 2540 17:25:30 0.385615 0.036687 BFGS: 2541 17:25:30 0.379454 0.036397 BFGS: 2542 17:25:30 0.373348 0.036108 BFGS: 2543 17:25:30 0.367297 0.035819 BFGS: 2544 17:25:30 0.361300 0.035530 BFGS: 2545 17:25:30 0.355358 0.035241 BFGS: 2546 17:25:30 0.349470 0.034953 BFGS: 2547 17:25:30 0.343637 0.034665 BFGS: 2548 17:25:30 0.337858 0.034377 BFGS: 2549 17:25:30 0.332133 0.034090 BFGS: 2550 17:25:30 0.326462 0.033803 BFGS: 2551 17:25:30 0.320846 0.033516 BFGS: 2552 17:25:30 0.315283 0.033230 BFGS: 2553 17:25:30 0.309774 0.032943 BFGS: 2554 17:25:30 0.304319 0.032657 BFGS: 2555 17:25:30 0.298917 0.032372 BFGS: 2556 17:25:30 0.293569 0.032086 BFGS: 2557 17:25:30 0.288275 0.031801 BFGS: 2558 17:25:30 0.283034 0.031516 BFGS: 2559 17:25:30 0.277846 0.031232 BFGS: 2560 17:25:30 0.272712 0.030948 BFGS: 2561 17:25:30 0.267631 0.030664 BFGS: 2562 17:25:31 0.262603 0.030380 BFGS: 2563 17:25:31 0.257627 0.030096 BFGS: 2564 17:25:31 0.252705 0.029813 BFGS: 2565 17:25:31 0.247836 0.029530 BFGS: 2566 17:25:31 0.243019 0.029248 BFGS: 2567 17:25:31 0.238255 0.028966 BFGS: 2568 17:25:31 0.233543 0.028684 BFGS: 2569 17:25:31 0.228884 0.028402 BFGS: 2570 17:25:31 0.224277 0.028120 BFGS: 2571 17:25:31 0.219723 0.027839 BFGS: 2572 17:25:31 0.215221 0.027558 BFGS: 2573 17:25:31 0.210771 0.027277 BFGS: 2574 17:25:31 0.206373 0.026997 BFGS: 2575 17:25:31 0.202027 0.026717 BFGS: 2576 17:25:31 0.197732 0.026437 BFGS: 2577 17:25:31 0.193490 0.026157 BFGS: 2578 17:25:31 0.189299 0.025878 BFGS: 2579 17:25:31 0.185160 0.025599 BFGS: 2580 17:25:31 0.181072 0.025320 BFGS: 2581 17:25:31 0.177036 0.025042 BFGS: 2582 17:25:31 0.173051 0.024763 BFGS: 2583 17:25:31 0.169117 0.024485 BFGS: 2584 17:25:31 0.165234 0.024208 BFGS: 2585 17:25:31 0.161402 0.023930 BFGS: 2586 17:25:32 0.157622 0.023653 BFGS: 2587 17:25:32 0.153892 0.023376 BFGS: 2588 17:25:32 0.150213 0.023099 BFGS: 2589 17:25:32 0.146585 0.022822 BFGS: 2590 17:25:32 0.143007 0.022546 BFGS: 2591 17:25:32 0.139480 0.022270 BFGS: 2592 17:25:32 0.136003 0.021994 BFGS: 2593 17:25:32 0.132577 0.021719 BFGS: 2594 17:25:32 0.129201 0.021444 BFGS: 2595 17:25:32 0.125875 0.021169 BFGS: 2596 17:25:32 0.122599 0.020894 BFGS: 2597 17:25:32 0.119373 0.020619 BFGS: 2598 17:25:32 0.116196 0.020345 BFGS: 2599 17:25:32 0.113070 0.020071 BFGS: 2600 17:25:32 0.109993 0.019797 BFGS: 2601 17:25:32 0.106966 0.019524 BFGS: 2602 17:25:32 0.103988 0.019250 BFGS: 2603 17:25:32 0.101060 0.018977 BFGS: 2604 17:25:32 0.098181 0.018862 BFGS: 2605 17:25:32 0.095351 0.018897 BFGS: 2606 17:25:32 0.092571 0.018929 BFGS: 2607 17:25:32 0.089839 0.018960 BFGS: 2608 17:25:32 0.087156 0.018989 BFGS: 2609 17:25:32 0.084522 0.019016 BFGS: 2610 17:25:32 0.081937 0.019041 BFGS: 2611 17:25:32 0.079400 0.019064 BFGS: 2612 17:25:32 0.076912 0.019085 BFGS: 2613 17:25:32 0.074472 0.019104 BFGS: 2614 17:25:32 0.072081 0.019121 BFGS: 2615 17:25:32 0.069738 0.019135 BFGS: 2616 17:25:32 0.067442 0.019148 BFGS: 2617 17:25:32 0.065195 0.019158 BFGS: 2618 17:25:32 0.062996 0.019166 BFGS: 2619 17:25:32 0.060844 0.019172 BFGS: 2620 17:25:32 0.058740 0.019175 BFGS: 2621 17:25:32 0.056684 0.019177 BFGS: 2622 17:25:33 0.054675 0.019175 BFGS: 2623 17:25:33 0.052713 0.019172 BFGS: 2624 17:25:33 0.050798 0.019165 BFGS: 2625 17:25:33 0.048931 0.019157 BFGS: 2626 17:25:33 0.047110 0.019146 BFGS: 2627 17:25:33 0.045336 0.019132 BFGS: 2628 17:25:33 0.043609 0.019115 BFGS: 2629 17:25:33 0.041929 0.019096 BFGS: 2630 17:25:33 0.040294 0.019074 BFGS: 2631 17:25:33 0.038707 0.019049 BFGS: 2632 17:25:33 0.037165 0.019021 BFGS: 2633 17:25:33 0.035669 0.018991 BFGS: 2634 17:25:33 0.034219 0.018957 BFGS: 2635 17:25:33 0.032815 0.018920 BFGS: 2636 17:25:33 0.031456 0.018742 BFGS: 2637 17:25:33 0.030142 0.018562 BFGS: 2638 17:25:33 0.028874 0.018381 BFGS: 2639 17:25:33 0.027650 0.018198 BFGS: 2640 17:25:33 0.026470 0.018013 BFGS: 2641 17:25:33 0.025335 0.017826 BFGS: 2642 17:25:33 0.024245 0.017637 BFGS: 2643 17:25:33 0.023198 0.017446 BFGS: 2644 17:25:33 0.022195 0.017252 BFGS: 2645 17:25:33 0.021236 0.017057 BFGS: 2646 17:25:33 0.020319 0.016859 BFGS: 2647 17:25:33 0.019440 0.016931 BFGS: 2648 17:25:33 0.018601 0.017148 BFGS: 2649 17:25:33 0.017800 0.017372 BFGS: 2650 17:25:33 0.017037 0.017601 BFGS: 2651 17:25:33 0.016312 0.017834 BFGS: 2652 17:25:34 0.015624 0.018072 BFGS: 2653 17:25:34 0.014974 0.018313 BFGS: 2654 17:25:34 0.014362 0.018557 BFGS: 2655 17:25:34 0.013785 0.018803 BFGS: 2656 17:25:34 0.013246 0.019053 BFGS: 2657 17:25:34 0.012739 0.019351 BFGS: 2658 17:25:34 0.012263 0.019653 BFGS: 2659 17:25:34 0.011818 0.019958 BFGS: 2660 17:25:34 0.011394 0.019705 BFGS: 2661 17:25:34 0.010977 0.019340 BFGS: 2662 17:25:34 0.010567 0.018974 BFGS: 2663 17:25:34 0.010166 0.018608 BFGS: 2664 17:25:34 0.009772 0.018242 BFGS: 2665 17:25:34 0.009386 0.017877 BFGS: 2666 17:25:34 0.009008 0.017511 BFGS: 2667 17:25:34 0.008638 0.017145 BFGS: 2668 17:25:34 0.008275 0.016780 BFGS: 2669 17:25:34 0.007921 0.016414 BFGS: 2670 17:25:34 0.007574 0.016049 BFGS: 2671 17:25:34 0.007234 0.015684 BFGS: 2672 17:25:34 0.006903 0.015319 BFGS: 2673 17:25:34 0.006579 0.014953 BFGS: 2674 17:25:34 0.006263 0.014588 BFGS: 2675 17:25:34 0.005955 0.014223 BFGS: 2676 17:25:34 0.005655 0.013858 BFGS: 2677 17:25:34 0.005363 0.013493 BFGS: 2678 17:25:34 0.005078 0.013128 BFGS: 2679 17:25:34 0.004801 0.012764 BFGS: 2680 17:25:34 0.004532 0.012399 BFGS: 2681 17:25:34 0.004270 0.012034 BFGS: 2682 17:25:34 0.004017 0.011670 BFGS: 2683 17:25:35 0.003771 0.011305 BFGS: 2684 17:25:35 0.003533 0.010941 BFGS: 2685 17:25:35 0.003302 0.010577 BFGS: 2686 17:25:35 0.003080 0.010212 BFGS: 2687 17:25:35 0.002865 0.009848 BFGS: 2688 17:25:35 0.002658 0.009484 BFGS: 2689 17:25:35 0.002459 0.009120 BFGS: 2690 17:25:35 0.002268 0.008756 BFGS: 2691 17:25:35 0.002084 0.008392 BFGS: 2692 17:25:35 0.001908 0.008028 BFGS: 2693 17:25:35 0.001740 0.007665 BFGS: 2694 17:25:35 0.001580 0.007301 BFGS: 2695 17:25:35 0.001427 0.006938 BFGS: 2696 17:25:35 0.001282 0.006574 BFGS: 2697 17:25:35 0.001145 0.006211 BFGS: 2698 17:25:35 0.001016 0.005848 BFGS: 2699 17:25:35 0.000894 0.005484 BFGS: 2700 17:25:35 0.000781 0.005121 BFGS: 2701 17:25:35 0.000675 0.004759 BFGS: 2702 17:25:35 0.000576 0.004396 BFGS: 2703 17:25:35 0.000486 0.004033 BFGS: 2704 17:25:35 0.000403 0.003671 BFGS: 2705 17:25:35 0.000328 0.003309 BFGS: 2706 17:25:35 0.000261 0.002947 BFGS: 2707 17:25:35 0.000201 0.002585 BFGS: 2708 17:25:35 0.000150 0.002223 BFGS: 2709 17:25:35 0.000106 0.001863 BFGS: 2710 17:25:35 0.000070 0.001503 BFGS: 2711 17:25:35 0.000041 0.001144 BFGS: 2712 17:25:35 0.000021 0.000905 BFGS: 2713 17:25:35 0.000008 0.000700 BFGS: 2714 17:25:35 0.000001 0.000316 BFGS: 2715 17:25:35 0.000000 0.000030 BFGS: 2716 17:25:35 0.000000 0.000000 Minimization converged after 2716 steps. Maximum force component: 8.667855831373494e-10 eV/Angstrom Maximum stress component: 1.7243514752482267e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [2.76822903e-01 2.76822903e-01 2.76822903e-01] [7.23177097e-01 7.23177097e-01 2.76822903e-01] [7.23177097e-01 2.76822903e-01 7.23177097e-01] [2.76822903e-01 7.23177097e-01 7.23177097e-01] [7.76822903e-01 7.76822903e-01 7.76822903e-01] [2.23177097e-01 2.23177097e-01 7.76822903e-01] [2.23177097e-01 7.76822903e-01 2.23177097e-01] [7.76822903e-01 2.23177097e-01 2.23177097e-01] [1.25264139e-01 1.25264139e-01 5.00090188e-01] [8.74735861e-01 8.74735861e-01 5.00090188e-01] [8.74735861e-01 1.25264139e-01 4.99909812e-01] [1.25264139e-01 8.74735861e-01 4.99909812e-01] [5.00090188e-01 1.25264139e-01 1.25264139e-01] [5.00090188e-01 8.74735861e-01 8.74735861e-01] [4.99909812e-01 8.74735861e-01 1.25264139e-01] [4.99909812e-01 1.25264139e-01 8.74735861e-01] [1.25264139e-01 5.00090188e-01 1.25264139e-01] [8.74735861e-01 5.00090188e-01 8.74735861e-01] [1.25264139e-01 4.99909812e-01 8.74735861e-01] [8.74735861e-01 4.99909812e-01 1.25264139e-01] [6.25264139e-01 6.25264139e-01 9.01880820e-05] [3.74735861e-01 3.74735861e-01 9.01880820e-05] [3.74735861e-01 6.25264139e-01 9.99909812e-01] [6.25264139e-01 3.74735861e-01 9.99909812e-01] [9.01880820e-05 6.25264139e-01 6.25264139e-01] [9.01880820e-05 3.74735861e-01 3.74735861e-01] [9.99909812e-01 3.74735861e-01 6.25264139e-01] [9.99909812e-01 6.25264139e-01 3.74735861e-01] [6.25264139e-01 9.01880820e-05 6.25264139e-01] [3.74735861e-01 9.01880820e-05 3.74735861e-01] [6.25264139e-01 9.99909812e-01 3.74735861e-01] [3.74735861e-01 9.99909812e-01 6.25264139e-01] [3.20176441e-01 9.99836305e-01 8.40925287e-01] [6.79823559e-01 1.63695359e-04 8.40925287e-01] [6.79823559e-01 9.99836305e-01 1.59074713e-01] [3.20176441e-01 1.63695359e-04 1.59074713e-01] [8.40925287e-01 3.20176441e-01 9.99836305e-01] [8.40925287e-01 6.79823559e-01 1.63695359e-04] [1.59074713e-01 6.79823559e-01 9.99836305e-01] [1.59074713e-01 3.20176441e-01 1.63695359e-04] [9.99836305e-01 8.40925287e-01 3.20176441e-01] [1.63695359e-04 8.40925287e-01 6.79823559e-01] [9.99836305e-01 1.59074713e-01 6.79823559e-01] [1.63695359e-04 1.59074713e-01 3.20176441e-01] [9.99836305e-01 3.20176441e-01 8.40925287e-01] [1.63695359e-04 6.79823559e-01 8.40925287e-01] [9.99836305e-01 6.79823559e-01 1.59074713e-01] [1.63695359e-04 3.20176441e-01 1.59074713e-01] [3.20176441e-01 8.40925287e-01 9.99836305e-01] [6.79823559e-01 8.40925287e-01 1.63695359e-04] [6.79823559e-01 1.59074713e-01 9.99836305e-01] [3.20176441e-01 1.59074713e-01 1.63695359e-04] [8.40925287e-01 9.99836305e-01 3.20176441e-01] [8.40925287e-01 1.63695359e-04 6.79823559e-01] [1.59074713e-01 9.99836305e-01 6.79823559e-01] [1.59074713e-01 1.63695359e-04 3.20176441e-01] [8.20176441e-01 4.99836305e-01 3.40925287e-01] [1.79823559e-01 5.00163695e-01 3.40925287e-01] [1.79823559e-01 4.99836305e-01 6.59074713e-01] [8.20176441e-01 5.00163695e-01 6.59074713e-01] [3.40925287e-01 8.20176441e-01 4.99836305e-01] [3.40925287e-01 1.79823559e-01 5.00163695e-01] [6.59074713e-01 1.79823559e-01 4.99836305e-01] [6.59074713e-01 8.20176441e-01 5.00163695e-01] [4.99836305e-01 3.40925287e-01 8.20176441e-01] [5.00163695e-01 3.40925287e-01 1.79823559e-01] [4.99836305e-01 6.59074713e-01 1.79823559e-01] [5.00163695e-01 6.59074713e-01 8.20176441e-01] [4.99836305e-01 8.20176441e-01 3.40925287e-01] [5.00163695e-01 1.79823559e-01 3.40925287e-01] [4.99836305e-01 1.79823559e-01 6.59074713e-01] [5.00163695e-01 8.20176441e-01 6.59074713e-01] [8.20176441e-01 3.40925287e-01 4.99836305e-01] [1.79823559e-01 3.40925287e-01 5.00163695e-01] [1.79823559e-01 6.59074713e-01 4.99836305e-01] [8.20176441e-01 6.59074713e-01 5.00163695e-01] [3.40925287e-01 4.99836305e-01 8.20176441e-01] [3.40925287e-01 5.00163695e-01 1.79823559e-01] [6.59074713e-01 4.99836305e-01 1.79823559e-01] [6.59074713e-01 5.00163695e-01 8.20176441e-01]] cellpar = Cell([[33.14908479792183, 1.6027743710683565e-31, -1.2730292663178495e-31], [-4.211516621403355e-31, 33.14908479792183, -4.290632832503287e-17], [1.2781459116379252e-31, -4.290632832503219e-17, 33.14908479792183]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 2.19907439e-10 2.19907439e-10 8.66785583e-10] [-2.19907439e-10 -2.19907439e-10 8.66785583e-10] [-2.19907439e-10 2.19907439e-10 -8.66785583e-10] [ 2.19907439e-10 -2.19907439e-10 -8.66785583e-10] [ 8.66785583e-10 2.19907439e-10 2.19907439e-10] [ 8.66785583e-10 -2.19907439e-10 -2.19907439e-10] [-8.66785583e-10 -2.19907439e-10 2.19907439e-10] [-8.66785583e-10 2.19907439e-10 -2.19907439e-10] [ 2.19907439e-10 8.66785583e-10 2.19907439e-10] [-2.19907439e-10 8.66785583e-10 -2.19907439e-10] [ 2.19907439e-10 -8.66785583e-10 -2.19907439e-10] [-2.19907439e-10 -8.66785583e-10 2.19907439e-10] [ 2.19907439e-10 2.19907439e-10 8.66785583e-10] [-2.19907439e-10 -2.19907439e-10 8.66785583e-10] [-2.19907439e-10 2.19907439e-10 -8.66785583e-10] [ 2.19907439e-10 -2.19907439e-10 -8.66785583e-10] [ 8.66785583e-10 2.19907439e-10 2.19907439e-10] [ 8.66785583e-10 -2.19907439e-10 -2.19907439e-10] [-8.66785583e-10 -2.19907439e-10 2.19907439e-10] [-8.66785583e-10 2.19907439e-10 -2.19907439e-10] [ 2.19907439e-10 8.66785583e-10 2.19907439e-10] [-2.19907439e-10 8.66785583e-10 -2.19907439e-10] [ 2.19907439e-10 -8.66785583e-10 -2.19907439e-10] [-2.19907439e-10 -8.66785583e-10 2.19907439e-10] [-4.33392792e-10 3.01353462e-10 -8.14460227e-11] [ 4.33392792e-10 -3.01353462e-10 -8.14460227e-11] [ 4.33392792e-10 3.01353462e-10 8.14460227e-11] [-4.33392792e-10 -3.01353462e-10 8.14460227e-11] [-8.14460227e-11 -4.33392792e-10 3.01353462e-10] [-8.14460227e-11 4.33392792e-10 -3.01353462e-10] [ 8.14460227e-11 4.33392792e-10 3.01353462e-10] [ 8.14460227e-11 -4.33392792e-10 -3.01353462e-10] [ 3.01353462e-10 -8.14460227e-11 -4.33392792e-10] [-3.01353462e-10 -8.14460227e-11 4.33392792e-10] [ 3.01353462e-10 8.14460227e-11 4.33392792e-10] [-3.01353462e-10 8.14460227e-11 -4.33392792e-10] [ 3.01353462e-10 -4.33392792e-10 -8.14460227e-11] [-3.01353462e-10 4.33392792e-10 -8.14460227e-11] [ 3.01353462e-10 4.33392792e-10 8.14460227e-11] [-3.01353462e-10 -4.33392792e-10 8.14460227e-11] [-4.33392792e-10 -8.14460227e-11 3.01353462e-10] [ 4.33392792e-10 -8.14460227e-11 -3.01353462e-10] [ 4.33392792e-10 8.14460227e-11 3.01353462e-10] [-4.33392792e-10 8.14460227e-11 -3.01353462e-10] [-8.14460227e-11 3.01353462e-10 -4.33392792e-10] [-8.14460227e-11 -3.01353462e-10 4.33392792e-10] [ 8.14460227e-11 3.01353462e-10 4.33392792e-10] [ 8.14460227e-11 -3.01353462e-10 -4.33392792e-10] [-4.33392792e-10 3.01353462e-10 -8.14460227e-11] [ 4.33392792e-10 -3.01353462e-10 -8.14460227e-11] [ 4.33392792e-10 3.01353462e-10 8.14460227e-11] [-4.33392792e-10 -3.01353462e-10 8.14460227e-11] [-8.14460227e-11 -4.33392792e-10 3.01353462e-10] [-8.14460227e-11 4.33392792e-10 -3.01353462e-10] [ 8.14460227e-11 4.33392792e-10 3.01353462e-10] [ 8.14460227e-11 -4.33392792e-10 -3.01353462e-10] [ 3.01353462e-10 -8.14460227e-11 -4.33392792e-10] [-3.01353462e-10 -8.14460227e-11 4.33392792e-10] [ 3.01353462e-10 8.14460227e-11 4.33392792e-10] [-3.01353462e-10 8.14460227e-11 -4.33392792e-10] [ 3.01353462e-10 -4.33392792e-10 -8.14460227e-11] [-3.01353462e-10 4.33392792e-10 -8.14460227e-11] [ 3.01353462e-10 4.33392792e-10 8.14460227e-11] [-3.01353462e-10 -4.33392792e-10 8.14460227e-11] [-4.33392792e-10 -8.14460227e-11 3.01353462e-10] [ 4.33392792e-10 -8.14460227e-11 -3.01353462e-10] [ 4.33392792e-10 8.14460227e-11 3.01353462e-10] [-4.33392792e-10 8.14460227e-11 -3.01353462e-10] [-8.14460227e-11 3.01353462e-10 -4.33392792e-10] [-8.14460227e-11 -3.01353462e-10 4.33392792e-10] [ 8.14460227e-11 3.01353462e-10 4.33392792e-10] [ 8.14460227e-11 -3.01353462e-10 -4.33392792e-10]] stress = [-1.72435148e-12 -1.72435148e-12 -1.72435148e-12 -9.73263384e-31 3.73900563e-36 -3.08670689e-54] 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