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 18:18:08 1318.217750 19.0591 BFGS: 1 18:18:08 1315.182246 19.0096 BFGS: 2 18:18:08 1312.177984 18.9603 BFGS: 3 18:18:08 1309.199800 18.9112 BFGS: 4 18:18:09 1306.244011 18.8622 BFGS: 5 18:18:09 1303.307894 18.8134 BFGS: 6 18:18:09 1300.389373 18.7648 BFGS: 7 18:18:09 1297.486825 18.7163 BFGS: 8 18:18:09 1294.598959 18.6679 BFGS: 9 18:18:09 1291.724719 18.6198 BFGS: 10 18:18:09 1288.863171 18.5722 BFGS: 11 18:18:09 1286.013566 18.5247 BFGS: 12 18:18:10 1283.175297 18.4774 BFGS: 13 18:18:10 1280.347846 18.4301 BFGS: 14 18:18:10 1277.530768 18.3830 BFGS: 15 18:18:10 1274.723676 18.3360 BFGS: 16 18:18:10 1271.926232 18.2890 BFGS: 17 18:18:11 1269.138140 18.2422 BFGS: 18 18:18:11 1266.359135 18.1955 BFGS: 19 18:18:11 1263.588981 18.1489 BFGS: 20 18:18:12 1260.827468 18.1024 BFGS: 21 18:18:12 1258.074403 18.0560 BFGS: 22 18:18:12 1255.329611 18.0097 BFGS: 23 18:18:13 1252.592933 17.9634 BFGS: 24 18:18:14 1249.864221 17.9173 BFGS: 25 18:18:15 1247.143338 17.8713 BFGS: 26 18:18:16 1244.430155 17.8254 BFGS: 27 18:18:17 1241.724553 17.7795 BFGS: 28 18:18:17 1239.026417 17.7338 BFGS: 29 18:18:18 1236.335638 17.6882 BFGS: 30 18:18:18 1233.652114 17.6426 BFGS: 31 18:18:19 1230.975742 17.5972 BFGS: 32 18:18:20 1228.306427 17.5518 BFGS: 33 18:18:20 1225.644074 17.5065 BFGS: 34 18:18:21 1222.988542 17.4619 BFGS: 35 18:18:21 1220.339438 17.4174 BFGS: 36 18:18:22 1217.696688 17.3730 BFGS: 37 18:18:22 1215.060226 17.3287 BFGS: 38 18:18:23 1212.429985 17.2844 BFGS: 39 18:18:23 1209.805894 17.2403 BFGS: 40 18:18:24 1207.187881 17.1962 BFGS: 41 18:18:24 1204.575871 17.1522 BFGS: 42 18:18:25 1201.969786 17.1083 BFGS: 43 18:18:25 1199.369545 17.0645 BFGS: 44 18:18:26 1196.775066 17.0208 BFGS: 45 18:18:26 1194.186261 16.9771 BFGS: 46 18:18:27 1191.603040 16.9336 BFGS: 47 18:18:27 1189.025311 16.8901 BFGS: 48 18:18:27 1186.452977 16.8467 BFGS: 49 18:18:28 1183.885938 16.8033 BFGS: 50 18:18:28 1181.324090 16.7601 BFGS: 51 18:18:28 1178.767325 16.7169 BFGS: 52 18:18:28 1176.215532 16.6738 BFGS: 53 18:18:29 1173.668595 16.6308 BFGS: 54 18:18:29 1171.126395 16.5878 BFGS: 55 18:18:30 1168.588808 16.5449 BFGS: 56 18:18:30 1166.055706 16.5021 BFGS: 57 18:18:30 1163.526956 16.4594 BFGS: 58 18:18:31 1161.002424 16.4167 BFGS: 59 18:18:31 1158.481967 16.3741 BFGS: 60 18:18:31 1155.965443 16.3316 BFGS: 61 18:18:32 1153.452698 16.2893 BFGS: 62 18:18:33 1150.943391 16.2478 BFGS: 63 18:18:33 1148.437107 16.2066 BFGS: 64 18:18:34 1145.933474 16.1656 BFGS: 65 18:18:34 1143.432229 16.1248 BFGS: 66 18:18:34 1140.933207 16.0839 BFGS: 67 18:18:34 1138.436239 16.0432 BFGS: 68 18:18:34 1135.941155 16.0025 BFGS: 69 18:18:35 1133.447758 15.9622 BFGS: 70 18:18:35 1130.955882 15.9221 BFGS: 71 18:18:35 1128.465356 15.8820 BFGS: 72 18:18:36 1125.976005 15.8420 BFGS: 73 18:18:36 1123.487656 15.8020 BFGS: 74 18:18:36 1121.000143 15.7621 BFGS: 75 18:18:37 1118.513303 15.7222 BFGS: 76 18:18:37 1116.026969 15.6826 BFGS: 77 18:18:37 1113.541017 15.6431 BFGS: 78 18:18:38 1111.055325 15.6037 BFGS: 79 18:18:38 1108.569758 15.5644 BFGS: 80 18:18:39 1106.083970 15.5261 BFGS: 81 18:18:39 1103.597582 15.4885 BFGS: 82 18:18:39 1101.110153 15.4515 BFGS: 83 18:18:40 1098.621569 15.4145 BFGS: 84 18:18:40 1096.131799 15.3776 BFGS: 85 18:18:40 1093.640840 15.3407 BFGS: 86 18:18:41 1091.148711 15.3039 BFGS: 87 18:18:41 1088.655453 15.2671 BFGS: 88 18:18:41 1086.161126 15.2303 BFGS: 89 18:18:41 1083.665798 15.1935 BFGS: 90 18:18:42 1081.169552 15.1567 BFGS: 91 18:18:42 1078.672473 15.1199 BFGS: 92 18:18:42 1076.174651 15.0831 BFGS: 93 18:18:43 1073.676179 15.0464 BFGS: 94 18:18:44 1071.177149 15.0096 BFGS: 95 18:18:44 1068.677653 14.9729 BFGS: 96 18:18:45 1066.177784 14.9361 BFGS: 97 18:18:45 1063.677631 14.8994 BFGS: 98 18:18:46 1061.177286 14.8626 BFGS: 99 18:18:47 1058.676841 14.8259 BFGS: 100 18:18:47 1056.176386 14.7891 BFGS: 101 18:18:47 1053.676013 14.7524 BFGS: 102 18:18:48 1051.175816 14.7156 BFGS: 103 18:18:48 1048.675887 14.6789 BFGS: 104 18:18:48 1046.176321 14.6421 BFGS: 105 18:18:49 1043.677214 14.6053 BFGS: 106 18:18:49 1041.178664 14.5686 BFGS: 107 18:18:50 1038.680770 14.5318 BFGS: 108 18:18:50 1036.183632 14.4950 BFGS: 109 18:18:50 1033.687353 14.4582 BFGS: 110 18:18:51 1031.192037 14.4214 BFGS: 111 18:18:51 1028.697789 14.3846 BFGS: 112 18:18:51 1026.204718 14.3478 BFGS: 113 18:18:52 1023.712681 14.3122 BFGS: 114 18:18:52 1021.221409 14.2767 BFGS: 115 18:18:53 1018.731010 14.2412 BFGS: 116 18:18:54 1016.241610 14.2058 BFGS: 117 18:18:54 1013.753337 14.1703 BFGS: 118 18:18:55 1011.266309 14.1350 BFGS: 119 18:18:55 1008.780682 14.1000 BFGS: 120 18:18:56 1006.296628 14.0649 BFGS: 121 18:18:56 1003.814268 14.0298 BFGS: 122 18:18:57 1001.333726 13.9948 BFGS: 123 18:18:58 998.855127 13.9597 BFGS: 124 18:18:58 996.378603 13.9246 BFGS: 125 18:18:59 993.904229 13.8899 BFGS: 126 18:18:59 991.431951 13.8553 BFGS: 127 18:18:59 988.961888 13.8207 BFGS: 128 18:18:59 986.494183 13.7860 BFGS: 129 18:19:00 984.028869 13.7522 BFGS: 130 18:19:00 981.565715 13.7186 BFGS: 131 18:19:00 979.104850 13.6850 BFGS: 132 18:19:01 976.646442 13.6513 BFGS: 133 18:19:01 974.190656 13.6177 BFGS: 134 18:19:02 971.737660 13.5840 BFGS: 135 18:19:03 969.287618 13.5504 BFGS: 136 18:19:03 966.840699 13.5167 BFGS: 137 18:19:03 964.397068 13.4830 BFGS: 138 18:19:04 961.956893 13.4493 BFGS: 139 18:19:04 959.520327 13.4158 BFGS: 140 18:19:05 957.087283 13.3830 BFGS: 141 18:19:05 954.658003 13.3502 BFGS: 142 18:19:06 952.232617 13.3173 BFGS: 143 18:19:07 949.811257 13.2845 BFGS: 144 18:19:07 947.394061 13.2516 BFGS: 145 18:19:08 944.981172 13.2188 BFGS: 146 18:19:08 942.572710 13.1862 BFGS: 147 18:19:09 940.168796 13.1535 BFGS: 148 18:19:09 937.769589 13.1209 BFGS: 149 18:19:10 935.375248 13.0882 BFGS: 150 18:19:10 932.985933 13.0556 BFGS: 151 18:19:10 930.601807 13.0229 BFGS: 152 18:19:10 928.223032 12.9903 BFGS: 153 18:19:10 925.849773 12.9576 BFGS: 154 18:19:11 923.482193 12.9250 BFGS: 155 18:19:11 921.120458 12.8923 BFGS: 156 18:19:11 918.764734 12.8597 BFGS: 157 18:19:12 916.415186 12.8270 BFGS: 158 18:19:12 914.071980 12.7944 BFGS: 159 18:19:12 911.735283 12.7617 BFGS: 160 18:19:13 909.405260 12.7291 BFGS: 161 18:19:13 907.082077 12.6964 BFGS: 162 18:19:13 904.765899 12.6638 BFGS: 163 18:19:14 902.456893 12.6312 BFGS: 164 18:19:14 900.155221 12.5985 BFGS: 165 18:19:15 897.861049 12.5659 BFGS: 166 18:19:15 895.574539 12.5333 BFGS: 167 18:19:15 893.295853 12.5006 BFGS: 168 18:19:16 891.025153 12.4680 BFGS: 169 18:19:16 888.762600 12.4354 BFGS: 170 18:19:16 886.508353 12.4028 BFGS: 171 18:19:17 884.262569 12.3702 BFGS: 172 18:19:17 882.025405 12.3377 BFGS: 173 18:19:17 879.797016 12.3051 BFGS: 174 18:19:18 877.577556 12.2725 BFGS: 175 18:19:18 875.367177 12.2400 BFGS: 176 18:19:18 873.166029 12.2075 BFGS: 177 18:19:18 870.974259 12.1749 BFGS: 178 18:19:18 868.792016 12.1424 BFGS: 179 18:19:19 866.619443 12.1099 BFGS: 180 18:19:19 864.456681 12.0774 BFGS: 181 18:19:19 862.303864 12.0452 BFGS: 182 18:19:19 860.161052 12.0134 BFGS: 183 18:19:19 858.028333 11.9817 BFGS: 184 18:19:19 855.905832 11.9501 BFGS: 185 18:19:20 853.793546 11.9192 BFGS: 186 18:19:20 851.691072 11.8888 BFGS: 187 18:19:20 849.598448 11.8584 BFGS: 188 18:19:20 847.515812 11.8280 BFGS: 189 18:19:20 845.443301 11.7977 BFGS: 190 18:19:20 843.381046 11.7673 BFGS: 191 18:19:21 841.329174 11.7370 BFGS: 192 18:19:21 839.287810 11.7067 BFGS: 193 18:19:21 837.257074 11.6764 BFGS: 194 18:19:21 835.237083 11.6461 BFGS: 195 18:19:21 833.227950 11.6158 BFGS: 196 18:19:22 831.229784 11.5857 BFGS: 197 18:19:22 829.242410 11.5566 BFGS: 198 18:19:22 827.265361 11.5283 BFGS: 199 18:19:22 825.298368 11.5003 BFGS: 200 18:19:23 823.341503 11.4723 BFGS: 201 18:19:23 821.394815 11.4450 BFGS: 202 18:19:23 819.457888 11.4187 BFGS: 203 18:19:23 817.530857 11.3923 BFGS: 204 18:19:23 815.613849 11.3664 BFGS: 205 18:19:24 813.707220 11.3411 BFGS: 206 18:19:24 811.811121 11.3157 BFGS: 207 18:19:24 809.925618 11.2903 BFGS: 208 18:19:24 808.050773 11.2650 BFGS: 209 18:19:25 806.186644 11.2396 BFGS: 210 18:19:25 804.333288 11.2142 BFGS: 211 18:19:25 802.490739 11.1892 BFGS: 212 18:19:25 800.659101 11.1641 BFGS: 213 18:19:25 798.838415 11.1391 BFGS: 214 18:19:26 797.028712 11.1141 BFGS: 215 18:19:26 795.230019 11.0891 BFGS: 216 18:19:26 793.442359 11.0641 BFGS: 217 18:19:26 791.665752 11.0391 BFGS: 218 18:19:26 789.900213 11.0142 BFGS: 219 18:19:27 788.145753 10.9892 BFGS: 220 18:19:27 786.402380 10.9642 BFGS: 221 18:19:27 784.670095 10.9393 BFGS: 222 18:19:27 782.948896 10.9143 BFGS: 223 18:19:27 781.238777 10.8894 BFGS: 224 18:19:27 779.539727 10.8645 BFGS: 225 18:19:27 777.851729 10.8395 BFGS: 226 18:19:27 776.174764 10.8146 BFGS: 227 18:19:27 774.508806 10.7897 BFGS: 228 18:19:28 772.853825 10.7649 BFGS: 229 18:19:28 771.209787 10.7400 BFGS: 230 18:19:28 769.576655 10.7151 BFGS: 231 18:19:28 767.954383 10.6903 BFGS: 232 18:19:28 766.342925 10.6654 BFGS: 233 18:19:28 764.742230 10.6406 BFGS: 234 18:19:28 763.152240 10.6158 BFGS: 235 18:19:28 761.572896 10.5910 BFGS: 236 18:19:28 760.004134 10.5662 BFGS: 237 18:19:28 758.445886 10.5414 BFGS: 238 18:19:29 756.898080 10.5167 BFGS: 239 18:19:29 755.360642 10.4919 BFGS: 240 18:19:29 753.833491 10.4672 BFGS: 241 18:19:29 752.316547 10.4424 BFGS: 242 18:19:29 750.809706 10.4180 BFGS: 243 18:19:29 749.312835 10.3938 BFGS: 244 18:19:29 747.825846 10.3696 BFGS: 245 18:19:29 746.348641 10.3454 BFGS: 246 18:19:29 744.881119 10.3212 BFGS: 247 18:19:29 743.423178 10.2971 BFGS: 248 18:19:30 741.974715 10.2729 BFGS: 249 18:19:30 740.535623 10.2488 BFGS: 250 18:19:30 739.105796 10.2247 BFGS: 251 18:19:30 737.685126 10.2005 BFGS: 252 18:19:30 736.273502 10.1764 BFGS: 253 18:19:30 734.870813 10.1524 BFGS: 254 18:19:30 733.476949 10.1283 BFGS: 255 18:19:30 732.091797 10.1042 BFGS: 256 18:19:30 730.715243 10.0802 BFGS: 257 18:19:30 729.347175 10.0561 BFGS: 258 18:19:31 727.987433 10.0326 BFGS: 259 18:19:31 726.635424 10.0098 BFGS: 260 18:19:31 725.290848 9.9871 BFGS: 261 18:19:31 723.953583 9.9644 BFGS: 262 18:19:31 722.623511 9.9417 BFGS: 263 18:19:31 721.300511 9.9190 BFGS: 264 18:19:31 719.984468 9.8963 BFGS: 265 18:19:31 718.675268 9.8736 BFGS: 266 18:19:31 717.372797 9.8509 BFGS: 267 18:19:31 716.076947 9.8283 BFGS: 268 18:19:32 714.787608 9.8057 BFGS: 269 18:19:32 713.504675 9.7830 BFGS: 270 18:19:32 712.228043 9.7604 BFGS: 271 18:19:32 710.957612 9.7378 BFGS: 272 18:19:32 709.693283 9.7152 BFGS: 273 18:19:32 708.434958 9.6926 BFGS: 274 18:19:32 707.182544 9.6700 BFGS: 275 18:19:32 705.935948 9.6474 BFGS: 276 18:19:32 704.695083 9.6248 BFGS: 277 18:19:33 703.459860 9.6022 BFGS: 278 18:19:33 702.230198 9.5797 BFGS: 279 18:19:33 701.006013 9.5571 BFGS: 280 18:19:33 699.787227 9.5345 BFGS: 281 18:19:33 698.573765 9.5120 BFGS: 282 18:19:33 697.365553 9.4894 BFGS: 283 18:19:33 696.162520 9.4668 BFGS: 284 18:19:33 694.964598 9.4443 BFGS: 285 18:19:33 693.771722 9.4217 BFGS: 286 18:19:33 692.583829 9.3992 BFGS: 287 18:19:34 691.400859 9.3767 BFGS: 288 18:19:34 690.222730 9.3544 BFGS: 289 18:19:34 689.049377 9.3322 BFGS: 290 18:19:34 687.880745 9.3100 BFGS: 291 18:19:34 686.716721 9.2881 BFGS: 292 18:19:34 685.557206 9.2661 BFGS: 293 18:19:34 684.402149 9.2442 BFGS: 294 18:19:34 683.251506 9.2222 BFGS: 295 18:19:34 682.105232 9.2003 BFGS: 296 18:19:34 680.963286 9.1783 BFGS: 297 18:19:35 679.825629 9.1564 BFGS: 298 18:19:35 678.692226 9.1345 BFGS: 299 18:19:35 677.563042 9.1125 BFGS: 300 18:19:35 676.438045 9.0906 BFGS: 301 18:19:35 675.317206 9.0686 BFGS: 302 18:19:35 674.200487 9.0469 BFGS: 303 18:19:35 673.087737 9.0257 BFGS: 304 18:19:35 671.978920 9.0045 BFGS: 305 18:19:35 670.874011 8.9840 BFGS: 306 18:19:35 669.772974 8.9638 BFGS: 307 18:19:36 668.675831 8.9436 BFGS: 308 18:19:36 667.582557 8.9233 BFGS: 309 18:19:36 666.493127 8.9031 BFGS: 310 18:19:36 665.407521 8.8829 BFGS: 311 18:19:36 664.325467 8.8635 BFGS: 312 18:19:36 663.246701 8.8441 BFGS: 313 18:19:36 662.171205 8.8246 BFGS: 314 18:19:36 661.098967 8.8052 BFGS: 315 18:19:36 660.029973 8.7857 BFGS: 316 18:19:37 658.964213 8.7662 BFGS: 317 18:19:37 657.901680 8.7468 BFGS: 318 18:19:37 656.842366 8.7273 BFGS: 319 18:19:37 655.786265 8.7078 BFGS: 320 18:19:37 654.733373 8.6884 BFGS: 321 18:19:37 653.683687 8.6689 BFGS: 322 18:19:37 652.637203 8.6494 BFGS: 323 18:19:37 651.593921 8.6299 BFGS: 324 18:19:37 650.553838 8.6104 BFGS: 325 18:19:37 649.516955 8.5909 BFGS: 326 18:19:38 648.483271 8.5714 BFGS: 327 18:19:38 647.452785 8.5519 BFGS: 328 18:19:38 646.425499 8.5324 BFGS: 329 18:19:38 645.401412 8.5129 BFGS: 330 18:19:38 644.380525 8.4934 BFGS: 331 18:19:38 643.362839 8.4739 BFGS: 332 18:19:38 642.348354 8.4543 BFGS: 333 18:19:38 641.337066 8.4349 BFGS: 334 18:19:38 640.328633 8.4162 BFGS: 335 18:19:38 639.322867 8.3977 BFGS: 336 18:19:39 638.319893 8.3796 BFGS: 337 18:19:39 637.319784 8.3614 BFGS: 338 18:19:39 636.322537 8.3433 BFGS: 339 18:19:39 635.328153 8.3251 BFGS: 340 18:19:39 634.336633 8.3069 BFGS: 341 18:19:39 633.347978 8.2887 BFGS: 342 18:19:39 632.362192 8.2705 BFGS: 343 18:19:39 631.379275 8.2522 BFGS: 344 18:19:39 630.399231 8.2340 BFGS: 345 18:19:39 629.422061 8.2157 BFGS: 346 18:19:40 628.447767 8.1975 BFGS: 347 18:19:40 627.476351 8.1792 BFGS: 348 18:19:40 626.507815 8.1609 BFGS: 349 18:19:40 625.542159 8.1426 BFGS: 350 18:19:40 624.579384 8.1243 BFGS: 351 18:19:40 623.619489 8.1060 BFGS: 352 18:19:40 622.662475 8.0877 BFGS: 353 18:19:40 621.708340 8.0694 BFGS: 354 18:19:40 620.757083 8.0510 BFGS: 355 18:19:40 619.808702 8.0327 BFGS: 356 18:19:41 618.863193 8.0143 BFGS: 357 18:19:41 617.920554 7.9960 BFGS: 358 18:19:41 616.980710 7.9782 BFGS: 359 18:19:41 616.043491 7.9606 BFGS: 360 18:19:42 615.108885 7.9430 BFGS: 361 18:19:42 614.176887 7.9254 BFGS: 362 18:19:42 613.247493 7.9077 BFGS: 363 18:19:42 612.320697 7.8901 BFGS: 364 18:19:42 611.396495 7.8725 BFGS: 365 18:19:43 610.474883 7.8548 BFGS: 366 18:19:43 609.555853 7.8372 BFGS: 367 18:19:43 608.639390 7.8198 BFGS: 368 18:19:43 607.725448 7.8026 BFGS: 369 18:19:44 606.814028 7.7854 BFGS: 370 18:19:44 605.905120 7.7681 BFGS: 371 18:19:44 604.998658 7.7514 BFGS: 372 18:19:44 604.094357 7.7353 BFGS: 373 18:19:45 603.192211 7.7191 BFGS: 374 18:19:45 602.292212 7.7029 BFGS: 375 18:19:45 601.394356 7.6867 BFGS: 376 18:19:45 600.498635 7.6705 BFGS: 377 18:19:45 599.605044 7.6543 BFGS: 378 18:19:45 598.713579 7.6381 BFGS: 379 18:19:45 597.824233 7.6219 BFGS: 380 18:19:46 596.937001 7.6057 BFGS: 381 18:19:46 596.051879 7.5895 BFGS: 382 18:19:46 595.168862 7.5733 BFGS: 383 18:19:46 594.287943 7.5571 BFGS: 384 18:19:46 593.409120 7.5409 BFGS: 385 18:19:47 592.532379 7.5249 BFGS: 386 18:19:47 591.657603 7.5096 BFGS: 387 18:19:47 590.784862 7.4944 BFGS: 388 18:19:47 589.914139 7.4791 BFGS: 389 18:19:47 589.045420 7.4639 BFGS: 390 18:19:48 588.178690 7.4486 BFGS: 391 18:19:48 587.313936 7.4334 BFGS: 392 18:19:48 586.451144 7.4181 BFGS: 393 18:19:48 585.590301 7.4029 BFGS: 394 18:19:48 584.731394 7.3876 BFGS: 395 18:19:49 583.874411 7.3724 BFGS: 396 18:19:49 583.019339 7.3571 BFGS: 397 18:19:49 582.166168 7.3418 BFGS: 398 18:19:49 581.314885 7.3266 BFGS: 399 18:19:49 580.465479 7.3113 BFGS: 400 18:19:50 579.617939 7.2961 BFGS: 401 18:19:50 578.772255 7.2808 BFGS: 402 18:19:50 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260.138662 3.3202 BFGS: 781 18:20:34 259.643205 3.3128 BFGS: 782 18:20:34 259.148773 3.3054 BFGS: 783 18:20:34 258.655363 3.2981 BFGS: 784 18:20:35 258.162974 3.2908 BFGS: 785 18:20:35 257.671604 3.2834 BFGS: 786 18:20:35 257.181249 3.2761 BFGS: 787 18:20:35 256.691907 3.2688 BFGS: 788 18:20:35 256.203575 3.2614 BFGS: 789 18:20:35 255.716236 3.2543 BFGS: 790 18:20:36 255.229861 3.2474 BFGS: 791 18:20:36 254.744475 3.2405 BFGS: 792 18:20:36 254.260071 3.2336 BFGS: 793 18:20:36 253.776641 3.2267 BFGS: 794 18:20:36 253.294179 3.2198 BFGS: 795 18:20:36 252.812679 3.2130 BFGS: 796 18:20:37 252.332134 3.2061 BFGS: 797 18:20:37 251.852536 3.1992 BFGS: 798 18:20:37 251.373880 3.1923 BFGS: 799 18:20:37 250.896159 3.1855 BFGS: 800 18:20:37 250.419365 3.1786 BFGS: 801 18:20:38 249.943492 3.1718 BFGS: 802 18:20:38 249.468533 3.1649 BFGS: 803 18:20:38 248.994480 3.1581 BFGS: 804 18:20:38 248.521328 3.1513 BFGS: 805 18:20:39 248.049068 3.1445 BFGS: 806 18:20:39 247.577695 3.1376 BFGS: 807 18:20:39 247.107200 3.1308 BFGS: 808 18:20:39 246.637576 3.1240 BFGS: 809 18:20:39 246.168817 3.1172 BFGS: 810 18:20:40 245.700915 3.1104 BFGS: 811 18:20:40 245.233864 3.1037 BFGS: 812 18:20:40 244.767655 3.0969 BFGS: 813 18:20:40 244.302283 3.0901 BFGS: 814 18:20:40 243.837739 3.0833 BFGS: 815 18:20:41 243.374016 3.0766 BFGS: 816 18:20:41 242.911108 3.0698 BFGS: 817 18:20:41 242.449007 3.0630 BFGS: 818 18:20:41 241.987707 3.0563 BFGS: 819 18:20:41 241.527200 3.0496 BFGS: 820 18:20:42 241.067480 3.0428 BFGS: 821 18:20:42 240.608540 3.0361 BFGS: 822 18:20:42 240.150373 3.0294 BFGS: 823 18:20:42 239.692972 3.0226 BFGS: 824 18:20:42 239.236292 3.0163 BFGS: 825 18:20:43 238.780223 3.0101 BFGS: 826 18:20:43 238.324777 3.0040 BFGS: 827 18:20:43 237.869947 2.9979 BFGS: 828 18:20:43 237.415727 2.9918 BFGS: 829 18:20:43 236.962111 2.9856 BFGS: 830 18:20:44 236.509094 2.9795 BFGS: 831 18:20:44 236.056611 2.9738 BFGS: 832 18:20:44 235.604593 2.9683 BFGS: 833 18:20:44 235.153047 2.9627 BFGS: 834 18:20:44 234.701964 2.9571 BFGS: 835 18:20:44 234.251337 2.9516 BFGS: 836 18:20:44 233.801158 2.9460 BFGS: 837 18:20:44 233.351423 2.9405 BFGS: 838 18:20:44 232.902127 2.9349 BFGS: 839 18:20:45 232.453264 2.9294 BFGS: 840 18:20:45 232.004831 2.9238 BFGS: 841 18:20:45 231.556825 2.9183 BFGS: 842 18:20:45 231.109243 2.9127 BFGS: 843 18:20:45 230.662084 2.9072 BFGS: 844 18:20:45 230.215345 2.9016 BFGS: 845 18:20:45 229.769025 2.8961 BFGS: 846 18:20:45 229.323125 2.8905 BFGS: 847 18:20:45 228.877644 2.8850 BFGS: 848 18:20:45 228.432583 2.8794 BFGS: 849 18:20:45 227.987943 2.8739 BFGS: 850 18:20:45 227.543725 2.8683 BFGS: 851 18:20:45 227.099931 2.8628 BFGS: 852 18:20:45 226.656565 2.8572 BFGS: 853 18:20:45 226.213629 2.8516 BFGS: 854 18:20:45 225.771126 2.8461 BFGS: 855 18:20:45 225.329061 2.8405 BFGS: 856 18:20:45 224.887438 2.8349 BFGS: 857 18:20:45 224.446262 2.8294 BFGS: 858 18:20:45 224.005539 2.8238 BFGS: 859 18:20:45 223.565274 2.8182 BFGS: 860 18:20:46 223.125473 2.8126 BFGS: 861 18:20:46 222.686145 2.8070 BFGS: 862 18:20:46 222.247295 2.8014 BFGS: 863 18:20:46 221.808932 2.7958 BFGS: 864 18:20:46 221.371064 2.7902 BFGS: 865 18:20:46 220.933699 2.7846 BFGS: 866 18:20:46 220.496846 2.7790 BFGS: 867 18:20:46 220.060515 2.7734 BFGS: 868 18:20:46 219.624716 2.7678 BFGS: 869 18:20:46 219.189459 2.7622 BFGS: 870 18:20:46 218.754754 2.7566 BFGS: 871 18:20:46 218.320612 2.7509 BFGS: 872 18:20:46 217.887045 2.7453 BFGS: 873 18:20:46 217.454064 2.7397 BFGS: 874 18:20:46 217.021682 2.7340 BFGS: 875 18:20:46 216.589909 2.7284 BFGS: 876 18:20:46 216.158759 2.7227 BFGS: 877 18:20:46 215.728245 2.7170 BFGS: 878 18:20:46 215.298379 2.7114 BFGS: 879 18:20:46 214.869175 2.7057 BFGS: 880 18:20:46 214.440645 2.7000 BFGS: 881 18:20:46 214.012805 2.6944 BFGS: 882 18:20:46 213.585666 2.6887 BFGS: 883 18:20:46 213.159244 2.6830 BFGS: 884 18:20:46 212.733552 2.6773 BFGS: 885 18:20:46 212.308604 2.6716 BFGS: 886 18:20:46 211.884414 2.6659 BFGS: 887 18:20:47 211.460997 2.6602 BFGS: 888 18:20:47 211.038366 2.6545 BFGS: 889 18:20:47 210.616532 2.6489 BFGS: 890 18:20:47 210.195256 2.6439 BFGS: 891 18:20:47 209.774308 2.6390 BFGS: 892 18:20:47 209.353699 2.6340 BFGS: 893 18:20:47 208.933439 2.6290 BFGS: 894 18:20:47 208.513542 2.6240 BFGS: 895 18:20:47 208.094019 2.6190 BFGS: 896 18:20:47 207.674844 2.6144 BFGS: 897 18:20:47 207.255942 2.6098 BFGS: 898 18:20:47 206.837320 2.6052 BFGS: 899 18:20:47 206.418991 2.6006 BFGS: 900 18:20:47 206.000966 2.5960 BFGS: 901 18:20:47 205.583260 2.5914 BFGS: 902 18:20:47 205.165886 2.5868 BFGS: 903 18:20:47 204.748856 2.5822 BFGS: 904 18:20:47 204.332184 2.5776 BFGS: 905 18:20:47 203.915885 2.5730 BFGS: 906 18:20:47 203.499972 2.5684 BFGS: 907 18:20:47 203.084459 2.5637 BFGS: 908 18:20:48 202.669361 2.5591 BFGS: 909 18:20:48 202.254690 2.5545 BFGS: 910 18:20:48 201.840462 2.5498 BFGS: 911 18:20:48 201.426691 2.5452 BFGS: 912 18:20:49 201.013391 2.5406 BFGS: 913 18:20:49 200.600576 2.5359 BFGS: 914 18:20:49 200.188261 2.5313 BFGS: 915 18:20:49 199.776459 2.5266 BFGS: 916 18:20:49 199.365184 2.5219 BFGS: 917 18:20:50 198.954451 2.5173 BFGS: 918 18:20:50 198.544266 2.5128 BFGS: 919 18:20:50 198.134560 2.5086 BFGS: 920 18:20:50 197.725395 2.5044 BFGS: 921 18:20:51 197.316786 2.5002 BFGS: 922 18:20:51 196.908746 2.4960 BFGS: 923 18:20:51 196.501292 2.4919 BFGS: 924 18:20:51 196.094437 2.4877 BFGS: 925 18:20:52 195.688194 2.4834 BFGS: 926 18:20:52 195.282579 2.4792 BFGS: 927 18:20:52 194.877603 2.4750 BFGS: 928 18:20:52 194.473282 2.4708 BFGS: 929 18:20:52 194.069629 2.4667 BFGS: 930 18:20:52 193.666713 2.4627 BFGS: 931 18:20:53 193.264598 2.4590 BFGS: 932 18:20:53 192.863202 2.4556 BFGS: 933 18:20:53 192.462609 2.4522 BFGS: 934 18:20:53 192.062825 2.4488 BFGS: 935 18:20:53 191.663859 2.4454 BFGS: 936 18:20:53 191.265718 2.4420 BFGS: 937 18:20:53 190.868409 2.4386 BFGS: 938 18:20:53 190.471941 2.4352 BFGS: 939 18:20:53 190.076319 2.4318 BFGS: 940 18:20:53 189.681552 2.4284 BFGS: 941 18:20:54 189.287646 2.4249 BFGS: 942 18:20:54 188.894608 2.4215 BFGS: 943 18:20:54 188.502444 2.4181 BFGS: 944 18:20:54 188.111161 2.4146 BFGS: 945 18:20:54 187.720765 2.4112 BFGS: 946 18:20:54 187.331261 2.4077 BFGS: 947 18:20:54 186.942654 2.4043 BFGS: 948 18:20:54 186.554950 2.4009 BFGS: 949 18:20:54 186.168146 2.3975 BFGS: 950 18:20:54 185.782259 2.3941 BFGS: 951 18:20:54 185.397292 2.3907 BFGS: 952 18:20:54 185.013252 2.3873 BFGS: 953 18:20:55 184.630142 2.3839 BFGS: 954 18:20:55 184.247966 2.3805 BFGS: 955 18:20:55 183.866729 2.3771 BFGS: 956 18:20:55 183.486435 2.3737 BFGS: 957 18:20:55 183.107085 2.3703 BFGS: 958 18:20:55 182.728685 2.3669 BFGS: 959 18:20:55 182.351236 2.3634 BFGS: 960 18:20:55 181.974742 2.3600 BFGS: 961 18:20:55 181.599205 2.3566 BFGS: 962 18:20:55 181.224627 2.3532 BFGS: 963 18:20:55 180.851011 2.3497 BFGS: 964 18:20:55 180.478358 2.3463 BFGS: 965 18:20:55 180.106669 2.3428 BFGS: 966 18:20:55 179.735946 2.3394 BFGS: 967 18:20:55 179.366191 2.3359 BFGS: 968 18:20:55 178.997384 2.3326 BFGS: 969 18:20:55 178.629429 2.3293 BFGS: 970 18:20:56 178.262318 2.3260 BFGS: 971 18:20:56 177.896054 2.3227 BFGS: 972 18:20:56 177.530639 2.3194 BFGS: 973 18:20:56 177.166078 2.3161 BFGS: 974 18:20:56 176.802372 2.3128 BFGS: 975 18:20:56 176.439524 2.3095 BFGS: 976 18:20:56 176.077536 2.3062 BFGS: 977 18:20:56 175.716411 2.3029 BFGS: 978 18:20:56 175.356150 2.2996 BFGS: 979 18:20:56 174.996755 2.2963 BFGS: 980 18:20:56 174.638228 2.2930 BFGS: 981 18:20:56 174.280570 2.2897 BFGS: 982 18:20:57 173.923783 2.2864 BFGS: 983 18:20:57 173.567866 2.2830 BFGS: 984 18:20:57 173.212821 2.2797 BFGS: 985 18:20:57 172.858649 2.2764 BFGS: 986 18:20:57 172.505350 2.2730 BFGS: 987 18:20:57 172.152924 2.2697 BFGS: 988 18:20:58 171.801372 2.2664 BFGS: 989 18:20:58 171.450694 2.2630 BFGS: 990 18:20:58 171.100888 2.2597 BFGS: 991 18:20:58 170.751956 2.2563 BFGS: 992 18:20:58 170.403896 2.2530 BFGS: 993 18:20:58 170.056708 2.2496 BFGS: 994 18:20:59 169.710392 2.2462 BFGS: 995 18:20:59 169.364945 2.2429 BFGS: 996 18:20:59 169.020368 2.2395 BFGS: 997 18:20:59 168.676658 2.2362 BFGS: 998 18:21:00 168.333815 2.2328 BFGS: 999 18:21:00 167.991838 2.2294 BFGS: 1000 18:21:00 167.650724 2.2260 BFGS: 1001 18:21:00 167.310472 2.2227 BFGS: 1002 18:21:00 166.971080 2.2193 BFGS: 1003 18:21:01 166.632547 2.2159 BFGS: 1004 18:21:01 166.294870 2.2125 BFGS: 1005 18:21:01 165.958047 2.2091 BFGS: 1006 18:21:01 165.622076 2.2057 BFGS: 1007 18:21:01 165.286954 2.2024 BFGS: 1008 18:21:02 164.952680 2.1990 BFGS: 1009 18:21:02 164.619251 2.1956 BFGS: 1010 18:21:02 164.286664 2.1922 BFGS: 1011 18:21:02 163.954916 2.1888 BFGS: 1012 18:21:02 163.624005 2.1854 BFGS: 1013 18:21:03 163.293928 2.1820 BFGS: 1014 18:21:03 162.964682 2.1786 BFGS: 1015 18:21:03 162.636265 2.1752 BFGS: 1016 18:21:03 162.308672 2.1718 BFGS: 1017 18:21:03 161.981901 2.1684 BFGS: 1018 18:21:04 161.655949 2.1650 BFGS: 1019 18:21:04 161.330813 2.1616 BFGS: 1020 18:21:04 161.006488 2.1582 BFGS: 1021 18:21:04 160.682973 2.1548 BFGS: 1022 18:21:04 160.360263 2.1513 BFGS: 1023 18:21:05 160.038356 2.1479 BFGS: 1024 18:21:05 159.717247 2.1445 BFGS: 1025 18:21:05 159.396932 2.1411 BFGS: 1026 18:21:05 159.077410 2.1377 BFGS: 1027 18:21:05 158.758675 2.1343 BFGS: 1028 18:21:05 158.440725 2.1309 BFGS: 1029 18:21:06 158.123555 2.1275 BFGS: 1030 18:21:06 157.807162 2.1240 BFGS: 1031 18:21:06 157.491542 2.1206 BFGS: 1032 18:21:06 157.176691 2.1172 BFGS: 1033 18:21:06 156.862605 2.1138 BFGS: 1034 18:21:06 156.549282 2.1104 BFGS: 1035 18:21:06 156.236716 2.1069 BFGS: 1036 18:21:07 155.924904 2.1035 BFGS: 1037 18:21:07 155.613842 2.1001 BFGS: 1038 18:21:07 155.303526 2.0967 BFGS: 1039 18:21:07 154.993952 2.0933 BFGS: 1040 18:21:07 154.685117 2.0898 BFGS: 1041 18:21:07 154.377016 2.0864 BFGS: 1042 18:21:08 154.069645 2.0830 BFGS: 1043 18:21:08 153.763001 2.0796 BFGS: 1044 18:21:08 153.457079 2.0762 BFGS: 1045 18:21:08 153.151875 2.0727 BFGS: 1046 18:21:08 152.847386 2.0693 BFGS: 1047 18:21:08 152.543608 2.0659 BFGS: 1048 18:21:09 152.240536 2.0625 BFGS: 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18:21:12 144.309739 1.9710 BFGS: 1076 18:21:13 144.024542 1.9677 BFGS: 1077 18:21:13 143.739867 1.9645 BFGS: 1078 18:21:13 143.455711 1.9612 BFGS: 1079 18:21:13 143.172074 1.9580 BFGS: 1080 18:21:13 142.888951 1.9547 BFGS: 1081 18:21:13 142.606342 1.9515 BFGS: 1082 18:21:13 142.324244 1.9482 BFGS: 1083 18:21:13 142.042655 1.9450 BFGS: 1084 18:21:13 141.761572 1.9418 BFGS: 1085 18:21:14 141.480994 1.9385 BFGS: 1086 18:21:14 141.200917 1.9353 BFGS: 1087 18:21:14 140.921341 1.9320 BFGS: 1088 18:21:14 140.642262 1.9288 BFGS: 1089 18:21:14 140.363679 1.9255 BFGS: 1090 18:21:14 140.085588 1.9223 BFGS: 1091 18:21:14 139.807989 1.9191 BFGS: 1092 18:21:15 139.530879 1.9158 BFGS: 1093 18:21:15 139.254256 1.9126 BFGS: 1094 18:21:15 138.978117 1.9094 BFGS: 1095 18:21:15 138.702460 1.9061 BFGS: 1096 18:21:15 138.427284 1.9029 BFGS: 1097 18:21:15 138.152586 1.8997 BFGS: 1098 18:21:15 137.878364 1.8964 BFGS: 1099 18:21:16 137.604616 1.8932 BFGS: 1100 18:21:16 137.331339 1.8900 BFGS: 1101 18:21:16 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1907 18:22:28 19.438209 0.3881 BFGS: 1908 18:22:28 19.376949 0.3874 BFGS: 1909 18:22:28 19.315827 0.3867 BFGS: 1910 18:22:28 19.254842 0.3860 BFGS: 1911 18:22:28 19.193994 0.3853 BFGS: 1912 18:22:28 19.133282 0.3846 BFGS: 1913 18:22:28 19.072706 0.3839 BFGS: 1914 18:22:28 19.012264 0.3832 BFGS: 1915 18:22:28 18.951958 0.3825 BFGS: 1916 18:22:29 18.891786 0.3818 BFGS: 1917 18:22:29 18.831747 0.3811 BFGS: 1918 18:22:29 18.771841 0.3804 BFGS: 1919 18:22:29 18.712068 0.3797 BFGS: 1920 18:22:29 18.652427 0.3790 BFGS: 1921 18:22:29 18.592918 0.3783 BFGS: 1922 18:22:29 18.533540 0.3776 BFGS: 1923 18:22:29 18.474293 0.3769 BFGS: 1924 18:22:29 18.415176 0.3762 BFGS: 1925 18:22:29 18.356189 0.3754 BFGS: 1926 18:22:29 18.297332 0.3747 BFGS: 1927 18:22:29 18.238604 0.3740 BFGS: 1928 18:22:29 18.180004 0.3733 BFGS: 1929 18:22:29 18.121533 0.3726 BFGS: 1930 18:22:29 18.063189 0.3719 BFGS: 1931 18:22:29 18.004973 0.3712 BFGS: 1932 18:22:29 17.946885 0.3705 BFGS: 1933 18:22:29 17.888923 0.3698 BFGS: 1934 18:22:29 17.831087 0.3691 BFGS: 1935 18:22:29 17.773377 0.3684 BFGS: 1936 18:22:29 17.715793 0.3677 BFGS: 1937 18:22:29 17.658335 0.3670 BFGS: 1938 18:22:29 17.601001 0.3663 BFGS: 1939 18:22:29 17.543792 0.3656 BFGS: 1940 18:22:29 17.486707 0.3649 BFGS: 1941 18:22:29 17.429746 0.3642 BFGS: 1942 18:22:29 17.372909 0.3634 BFGS: 1943 18:22:29 17.316195 0.3627 BFGS: 1944 18:22:29 17.259605 0.3620 BFGS: 1945 18:22:29 17.203136 0.3613 BFGS: 1946 18:22:29 17.146791 0.3606 BFGS: 1947 18:22:29 17.090567 0.3599 BFGS: 1948 18:22:29 17.034466 0.3592 BFGS: 1949 18:22:29 16.978485 0.3585 BFGS: 1950 18:22:29 16.922627 0.3578 BFGS: 1951 18:22:29 16.866889 0.3571 BFGS: 1952 18:22:29 16.811271 0.3564 BFGS: 1953 18:22:30 16.755774 0.3557 BFGS: 1954 18:22:30 16.700398 0.3550 BFGS: 1955 18:22:30 16.645141 0.3543 BFGS: 1956 18:22:30 16.590004 0.3536 BFGS: 1957 18:22:30 16.534986 0.3529 BFGS: 1958 18:22:30 16.480087 0.3522 BFGS: 1959 18:22:30 16.425307 0.3515 BFGS: 1960 18:22:30 16.370646 0.3508 BFGS: 1961 18:22:30 16.316103 0.3501 BFGS: 1962 18:22:30 16.261677 0.3494 BFGS: 1963 18:22:30 16.207366 0.3487 BFGS: 1964 18:22:30 16.153169 0.3480 BFGS: 1965 18:22:30 16.099088 0.3473 BFGS: 1966 18:22:30 16.045120 0.3466 BFGS: 1967 18:22:30 15.991267 0.3459 BFGS: 1968 18:22:30 15.937528 0.3452 BFGS: 1969 18:22:30 15.883902 0.3445 BFGS: 1970 18:22:30 15.830391 0.3438 BFGS: 1971 18:22:30 15.776993 0.3431 BFGS: 1972 18:22:30 15.723708 0.3424 BFGS: 1973 18:22:30 15.670536 0.3417 BFGS: 1974 18:22:30 15.617478 0.3410 BFGS: 1975 18:22:30 15.564532 0.3403 BFGS: 1976 18:22:30 15.511699 0.3396 BFGS: 1977 18:22:30 15.458979 0.3389 BFGS: 1978 18:22:30 15.406371 0.3382 BFGS: 1979 18:22:30 15.353875 0.3375 BFGS: 1980 18:22:30 15.301491 0.3368 BFGS: 1981 18:22:30 15.249219 0.3361 BFGS: 1982 18:22:30 15.197059 0.3354 BFGS: 1983 18:22:30 15.145011 0.3347 BFGS: 1984 18:22:30 15.093074 0.3340 BFGS: 1985 18:22:30 15.041248 0.3333 BFGS: 1986 18:22:30 14.989534 0.3326 BFGS: 1987 18:22:30 14.937931 0.3319 BFGS: 1988 18:22:30 14.886439 0.3312 BFGS: 1989 18:22:31 14.835057 0.3305 BFGS: 1990 18:22:31 14.783786 0.3298 BFGS: 1991 18:22:31 14.732626 0.3291 BFGS: 1992 18:22:31 14.681576 0.3284 BFGS: 1993 18:22:31 14.630637 0.3277 BFGS: 1994 18:22:31 14.579807 0.3270 BFGS: 1995 18:22:31 14.529088 0.3263 BFGS: 1996 18:22:31 14.478478 0.3256 BFGS: 1997 18:22:31 14.427978 0.3249 BFGS: 1998 18:22:31 14.377588 0.3242 BFGS: 1999 18:22:31 14.327307 0.3235 BFGS: 2000 18:22:31 14.277135 0.3228 BFGS: 2001 18:22:31 14.227073 0.3221 BFGS: 2002 18:22:31 14.177119 0.3214 BFGS: 2003 18:22:31 14.127275 0.3207 BFGS: 2004 18:22:31 14.077540 0.3200 BFGS: 2005 18:22:31 14.027913 0.3193 BFGS: 2006 18:22:31 13.978394 0.3186 BFGS: 2007 18:22:31 13.928985 0.3179 BFGS: 2008 18:22:31 13.879683 0.3172 BFGS: 2009 18:22:31 13.830490 0.3165 BFGS: 2010 18:22:31 13.781404 0.3158 BFGS: 2011 18:22:31 13.732427 0.3151 BFGS: 2012 18:22:31 13.683558 0.3144 BFGS: 2013 18:22:31 13.634796 0.3137 BFGS: 2014 18:22:31 13.586142 0.3130 BFGS: 2015 18:22:31 13.537595 0.3123 BFGS: 2016 18:22:31 13.489155 0.3116 BFGS: 2017 18:22:31 13.440823 0.3109 BFGS: 2018 18:22:31 13.392598 0.3103 BFGS: 2019 18:22:31 13.344480 0.3096 BFGS: 2020 18:22:31 13.296469 0.3089 BFGS: 2021 18:22:31 13.248564 0.3082 BFGS: 2022 18:22:31 13.200766 0.3075 BFGS: 2023 18:22:31 13.153075 0.3068 BFGS: 2024 18:22:31 13.105490 0.3061 BFGS: 2025 18:22:31 13.058011 0.3054 BFGS: 2026 18:22:32 13.010638 0.3047 BFGS: 2027 18:22:32 12.963372 0.3040 BFGS: 2028 18:22:32 12.916211 0.3033 BFGS: 2029 18:22:32 12.869156 0.3027 BFGS: 2030 18:22:32 12.822207 0.3020 BFGS: 2031 18:22:32 12.775363 0.3013 BFGS: 2032 18:22:32 12.728624 0.3006 BFGS: 2033 18:22:32 12.681991 0.2999 BFGS: 2034 18:22:32 12.635464 0.2992 BFGS: 2035 18:22:32 12.589041 0.2985 BFGS: 2036 18:22:32 12.542723 0.2979 BFGS: 2037 18:22:32 12.496510 0.2972 BFGS: 2038 18:22:32 12.450402 0.2965 BFGS: 2039 18:22:32 12.404399 0.2958 BFGS: 2040 18:22:32 12.358500 0.2951 BFGS: 2041 18:22:32 12.312705 0.2944 BFGS: 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2069 18:22:33 11.072389 0.2756 BFGS: 2070 18:22:33 11.029573 0.2750 BFGS: 2071 18:22:33 10.986859 0.2743 BFGS: 2072 18:22:33 10.944246 0.2736 BFGS: 2073 18:22:33 10.901733 0.2730 BFGS: 2074 18:22:33 10.859321 0.2723 BFGS: 2075 18:22:33 10.817010 0.2717 BFGS: 2076 18:22:33 10.774799 0.2710 BFGS: 2077 18:22:33 10.732689 0.2703 BFGS: 2078 18:22:33 10.690679 0.2697 BFGS: 2079 18:22:33 10.648769 0.2690 BFGS: 2080 18:22:33 10.606959 0.2684 BFGS: 2081 18:22:33 10.565250 0.2677 BFGS: 2082 18:22:33 10.523640 0.2670 BFGS: 2083 18:22:33 10.482130 0.2664 BFGS: 2084 18:22:33 10.440720 0.2657 BFGS: 2085 18:22:33 10.399409 0.2651 BFGS: 2086 18:22:33 10.358198 0.2644 BFGS: 2087 18:22:33 10.317086 0.2638 BFGS: 2088 18:22:33 10.276073 0.2631 BFGS: 2089 18:22:33 10.235160 0.2625 BFGS: 2090 18:22:33 10.194346 0.2618 BFGS: 2091 18:22:33 10.153630 0.2612 BFGS: 2092 18:22:33 10.113013 0.2605 BFGS: 2093 18:22:33 10.072496 0.2599 BFGS: 2094 18:22:33 10.032076 0.2592 BFGS: 2095 18:22:33 9.991756 0.2586 BFGS: 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0.2407 BFGS: 2124 18:22:34 8.864847 0.2401 BFGS: 2125 18:22:34 8.827434 0.2395 BFGS: 2126 18:22:34 8.790116 0.2388 BFGS: 2127 18:22:34 8.752894 0.2382 BFGS: 2128 18:22:34 8.715766 0.2376 BFGS: 2129 18:22:34 8.678734 0.2369 BFGS: 2130 18:22:34 8.641797 0.2363 BFGS: 2131 18:22:35 8.604955 0.2357 BFGS: 2132 18:22:35 8.568207 0.2351 BFGS: 2133 18:22:35 8.531554 0.2344 BFGS: 2134 18:22:35 8.494996 0.2338 BFGS: 2135 18:22:35 8.458532 0.2332 BFGS: 2136 18:22:35 8.422162 0.2326 BFGS: 2137 18:22:35 8.385887 0.2320 BFGS: 2138 18:22:35 8.349705 0.2313 BFGS: 2139 18:22:35 8.313618 0.2307 BFGS: 2140 18:22:35 8.277625 0.2301 BFGS: 2141 18:22:35 8.241726 0.2295 BFGS: 2142 18:22:35 8.205920 0.2289 BFGS: 2143 18:22:35 8.170208 0.2282 BFGS: 2144 18:22:35 8.134590 0.2276 BFGS: 2145 18:22:35 8.099065 0.2270 BFGS: 2146 18:22:35 8.063633 0.2264 BFGS: 2147 18:22:35 8.028295 0.2258 BFGS: 2148 18:22:35 7.993050 0.2252 BFGS: 2149 18:22:35 7.957898 0.2246 BFGS: 2150 18:22:35 7.922839 0.2239 BFGS: 2151 18:22:35 7.887873 0.2233 BFGS: 2152 18:22:35 7.852999 0.2227 BFGS: 2153 18:22:35 7.818219 0.2221 BFGS: 2154 18:22:35 7.783531 0.2215 BFGS: 2155 18:22:35 7.748935 0.2209 BFGS: 2156 18:22:35 7.714432 0.2203 BFGS: 2157 18:22:35 7.680021 0.2197 BFGS: 2158 18:22:35 7.645702 0.2191 BFGS: 2159 18:22:35 7.611476 0.2185 BFGS: 2160 18:22:35 7.577341 0.2178 BFGS: 2161 18:22:35 7.543298 0.2172 BFGS: 2162 18:22:35 7.509347 0.2166 BFGS: 2163 18:22:35 7.475488 0.2160 BFGS: 2164 18:22:35 7.441721 0.2154 BFGS: 2165 18:22:36 7.408045 0.2148 BFGS: 2166 18:22:36 7.374460 0.2142 BFGS: 2167 18:22:36 7.340967 0.2136 BFGS: 2168 18:22:36 7.307565 0.2130 BFGS: 2169 18:22:36 7.274254 0.2124 BFGS: 2170 18:22:36 7.241035 0.2118 BFGS: 2171 18:22:36 7.207906 0.2112 BFGS: 2172 18:22:36 7.174868 0.2106 BFGS: 2173 18:22:36 7.141921 0.2100 BFGS: 2174 18:22:36 7.109064 0.2094 BFGS: 2175 18:22:36 7.076299 0.2088 BFGS: 2176 18:22:36 7.043623 0.2082 BFGS: 2177 18:22:36 7.011038 0.2076 BFGS: 2178 18:22:36 6.978543 0.2070 BFGS: 2179 18:22:36 6.946139 0.2064 BFGS: 2180 18:22:36 6.913825 0.2058 BFGS: 2181 18:22:36 6.881600 0.2052 BFGS: 2182 18:22:36 6.849466 0.2046 BFGS: 2183 18:22:36 6.817421 0.2040 BFGS: 2184 18:22:36 6.785466 0.2035 BFGS: 2185 18:22:36 6.753601 0.2029 BFGS: 2186 18:22:36 6.721826 0.2023 BFGS: 2187 18:22:36 6.690139 0.2017 BFGS: 2188 18:22:36 6.658543 0.2011 BFGS: 2189 18:22:36 6.627035 0.2005 BFGS: 2190 18:22:36 6.595617 0.1999 BFGS: 2191 18:22:36 6.564287 0.1993 BFGS: 2192 18:22:36 6.533047 0.1987 BFGS: 2193 18:22:36 6.501896 0.1981 BFGS: 2194 18:22:36 6.470833 0.1976 BFGS: 2195 18:22:36 6.439859 0.1970 BFGS: 2196 18:22:36 6.408974 0.1964 BFGS: 2197 18:22:36 6.378177 0.1958 BFGS: 2198 18:22:36 6.347469 0.1952 BFGS: 2199 18:22:37 6.316849 0.1946 BFGS: 2200 18:22:37 6.286317 0.1941 BFGS: 2201 18:22:37 6.255874 0.1935 BFGS: 2202 18:22:37 6.225519 0.1929 BFGS: 2203 18:22:37 6.195251 0.1923 BFGS: 2204 18:22:37 6.165072 0.1917 BFGS: 2205 18:22:37 6.134980 0.1911 BFGS: 2206 18:22:37 6.104976 0.1906 BFGS: 2207 18:22:37 6.075060 0.1900 BFGS: 2208 18:22:37 6.045231 0.1894 BFGS: 2209 18:22:37 6.015489 0.1888 BFGS: 2210 18:22:37 5.985835 0.1882 BFGS: 2211 18:22:37 5.956268 0.1877 BFGS: 2212 18:22:37 5.926789 0.1871 BFGS: 2213 18:22:37 5.897396 0.1865 BFGS: 2214 18:22:37 5.868091 0.1859 BFGS: 2215 18:22:37 5.838872 0.1854 BFGS: 2216 18:22:37 5.809740 0.1848 BFGS: 2217 18:22:37 5.780695 0.1842 BFGS: 2218 18:22:37 5.751737 0.1836 BFGS: 2219 18:22:37 5.722865 0.1831 BFGS: 2220 18:22:37 5.694079 0.1825 BFGS: 2221 18:22:37 5.665380 0.1819 BFGS: 2222 18:22:37 5.636767 0.1814 BFGS: 2223 18:22:37 5.608240 0.1808 BFGS: 2224 18:22:37 5.579800 0.1802 BFGS: 2225 18:22:37 5.551445 0.1797 BFGS: 2226 18:22:37 5.523177 0.1791 BFGS: 2227 18:22:37 5.494994 0.1785 BFGS: 2228 18:22:37 5.466897 0.1779 BFGS: 2229 18:22:37 5.438885 0.1774 BFGS: 2230 18:22:37 5.410959 0.1768 BFGS: 2231 18:22:37 5.383119 0.1763 BFGS: 2232 18:22:37 5.355364 0.1757 BFGS: 2233 18:22:38 5.327694 0.1751 BFGS: 2234 18:22:38 5.300110 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0.125875 0.0212 BFGS: 2596 18:22:48 0.122599 0.0209 BFGS: 2597 18:22:48 0.119373 0.0206 BFGS: 2598 18:22:48 0.116196 0.0203 BFGS: 2599 18:22:48 0.113070 0.0201 BFGS: 2600 18:22:48 0.109993 0.0198 BFGS: 2601 18:22:48 0.106966 0.0195 BFGS: 2602 18:22:48 0.103988 0.0193 BFGS: 2603 18:22:48 0.101060 0.0190 BFGS: 2604 18:22:48 0.098181 0.0189 BFGS: 2605 18:22:49 0.095351 0.0189 BFGS: 2606 18:22:49 0.092571 0.0189 BFGS: 2607 18:22:49 0.089839 0.0190 BFGS: 2608 18:22:49 0.087156 0.0190 BFGS: 2609 18:22:49 0.084522 0.0190 BFGS: 2610 18:22:49 0.081937 0.0190 BFGS: 2611 18:22:49 0.079400 0.0191 BFGS: 2612 18:22:49 0.076912 0.0191 BFGS: 2613 18:22:49 0.074472 0.0191 BFGS: 2614 18:22:49 0.072081 0.0191 BFGS: 2615 18:22:49 0.069738 0.0191 BFGS: 2616 18:22:49 0.067442 0.0191 BFGS: 2617 18:22:49 0.065195 0.0192 BFGS: 2618 18:22:49 0.062996 0.0192 BFGS: 2619 18:22:49 0.060844 0.0192 BFGS: 2620 18:22:49 0.058740 0.0192 BFGS: 2621 18:22:49 0.056684 0.0192 BFGS: 2622 18:22:49 0.054675 0.0192 BFGS: 2623 18:22:49 0.052713 0.0192 BFGS: 2624 18:22:49 0.050798 0.0192 BFGS: 2625 18:22:49 0.048931 0.0192 BFGS: 2626 18:22:49 0.047110 0.0191 BFGS: 2627 18:22:49 0.045336 0.0191 BFGS: 2628 18:22:49 0.043609 0.0191 BFGS: 2629 18:22:49 0.041929 0.0191 BFGS: 2630 18:22:49 0.040294 0.0191 BFGS: 2631 18:22:49 0.038707 0.0190 BFGS: 2632 18:22:49 0.037165 0.0190 BFGS: 2633 18:22:49 0.035669 0.0190 BFGS: 2634 18:22:50 0.034219 0.0190 BFGS: 2635 18:22:50 0.032815 0.0189 BFGS: 2636 18:22:50 0.031456 0.0187 BFGS: 2637 18:22:50 0.030142 0.0186 BFGS: 2638 18:22:50 0.028874 0.0184 BFGS: 2639 18:22:50 0.027650 0.0182 BFGS: 2640 18:22:50 0.026470 0.0180 BFGS: 2641 18:22:50 0.025335 0.0178 BFGS: 2642 18:22:50 0.024245 0.0176 BFGS: 2643 18:22:50 0.023198 0.0174 BFGS: 2644 18:22:50 0.022195 0.0173 BFGS: 2645 18:22:50 0.021236 0.0171 BFGS: 2646 18:22:50 0.020319 0.0169 BFGS: 2647 18:22:50 0.019440 0.0169 BFGS: 2648 18:22:50 0.018601 0.0171 BFGS: 2649 18:22:50 0.017800 0.0174 BFGS: 2650 18:22:50 0.017037 0.0176 BFGS: 2651 18:22:50 0.016312 0.0178 BFGS: 2652 18:22:50 0.015624 0.0181 BFGS: 2653 18:22:50 0.014974 0.0183 BFGS: 2654 18:22:50 0.014362 0.0186 BFGS: 2655 18:22:50 0.013785 0.0188 BFGS: 2656 18:22:50 0.013246 0.0191 BFGS: 2657 18:22:50 0.012739 0.0194 BFGS: 2658 18:22:50 0.012263 0.0197 BFGS: 2659 18:22:50 0.011818 0.0200 BFGS: 2660 18:22:50 0.011394 0.0197 BFGS: 2661 18:22:50 0.010977 0.0193 BFGS: 2662 18:22:50 0.010567 0.0190 BFGS: 2663 18:22:50 0.010166 0.0186 BFGS: 2664 18:22:50 0.009772 0.0182 BFGS: 2665 18:22:50 0.009386 0.0179 BFGS: 2666 18:22:50 0.009008 0.0175 BFGS: 2667 18:22:50 0.008638 0.0171 BFGS: 2668 18:22:51 0.008275 0.0168 BFGS: 2669 18:22:51 0.007921 0.0164 BFGS: 2670 18:22:51 0.007574 0.0160 BFGS: 2671 18:22:51 0.007234 0.0157 BFGS: 2672 18:22:51 0.006903 0.0153 BFGS: 2673 18:22:51 0.006579 0.0150 BFGS: 2674 18:22:51 0.006263 0.0146 BFGS: 2675 18:22:51 0.005955 0.0142 BFGS: 2676 18:22:51 0.005655 0.0139 BFGS: 2677 18:22:51 0.005363 0.0135 BFGS: 2678 18:22:51 0.005078 0.0131 BFGS: 2679 18:22:51 0.004801 0.0128 BFGS: 2680 18:22:51 0.004532 0.0124 BFGS: 2681 18:22:51 0.004270 0.0120 BFGS: 2682 18:22:51 0.004017 0.0117 BFGS: 2683 18:22:51 0.003771 0.0113 BFGS: 2684 18:22:51 0.003533 0.0109 BFGS: 2685 18:22:51 0.003302 0.0106 BFGS: 2686 18:22:51 0.003080 0.0102 BFGS: 2687 18:22:51 0.002865 0.0098 BFGS: 2688 18:22:51 0.002658 0.0095 BFGS: 2689 18:22:51 0.002459 0.0091 BFGS: 2690 18:22:51 0.002268 0.0088 BFGS: 2691 18:22:51 0.002084 0.0084 BFGS: 2692 18:22:51 0.001908 0.0080 BFGS: 2693 18:22:51 0.001740 0.0077 BFGS: 2694 18:22:51 0.001580 0.0073 BFGS: 2695 18:22:51 0.001427 0.0069 BFGS: 2696 18:22:51 0.001282 0.0066 BFGS: 2697 18:22:51 0.001145 0.0062 BFGS: 2698 18:22:51 0.001016 0.0058 BFGS: 2699 18:22:51 0.000894 0.0055 BFGS: 2700 18:22:52 0.000781 0.0051 BFGS: 2701 18:22:52 0.000675 0.0048 BFGS: 2702 18:22:52 0.000576 0.0044 BFGS: 2703 18:22:52 0.000486 0.0040 BFGS: 2704 18:22:52 0.000403 0.0037 BFGS: 2705 18:22:52 0.000328 0.0033 BFGS: 2706 18:22:52 0.000261 0.0029 BFGS: 2707 18:22:52 0.000201 0.0026 BFGS: 2708 18:22:52 0.000150 0.0022 BFGS: 2709 18:22:52 0.000106 0.0019 BFGS: 2710 18:22:52 0.000070 0.0015 BFGS: 2711 18:22:52 0.000041 0.0011 BFGS: 2712 18:22:52 0.000021 0.0009 BFGS: 2713 18:22:52 0.000008 0.0007 BFGS: 2714 18:22:52 0.000001 0.0003 BFGS: 2715 18:22:52 0.000000 0.0000 BFGS: 2716 18:22:52 0.000000 0.0000 Minimization converged after 2716 steps. Maximum force component: 8.667862235354134e-10 eV/Angstrom Maximum stress component: 1.7243527490687394e-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 = [[2.23405056e-32 2.23407874e-32 2.20839967e-32] [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 9.01880809e-05] [3.74735861e-01 3.74735861e-01 9.01880809e-05] [3.74735861e-01 6.25264139e-01 9.99909812e-01] [6.25264139e-01 3.74735861e-01 9.99909812e-01] [9.01880809e-05 6.25264139e-01 6.25264139e-01] [9.01880809e-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 9.01880809e-05 6.25264139e-01] [3.74735861e-01 9.01880809e-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 1.63695357e-04 8.40925287e-01] [6.79823559e-01 9.99836305e-01 1.59074713e-01] [3.20176441e-01 1.63695357e-04 1.59074713e-01] [8.40925287e-01 3.20176441e-01 9.99836305e-01] [8.40925287e-01 6.79823559e-01 1.63695357e-04] [1.59074713e-01 6.79823559e-01 9.99836305e-01] [1.59074713e-01 3.20176441e-01 1.63695357e-04] [9.99836305e-01 8.40925287e-01 3.20176441e-01] [1.63695357e-04 8.40925287e-01 6.79823559e-01] [9.99836305e-01 1.59074713e-01 6.79823559e-01] [1.63695357e-04 1.59074713e-01 3.20176441e-01] [9.99836305e-01 3.20176441e-01 8.40925287e-01] [1.63695357e-04 6.79823559e-01 8.40925287e-01] [9.99836305e-01 6.79823559e-01 1.59074713e-01] [1.63695357e-04 3.20176441e-01 1.59074713e-01] [3.20176441e-01 8.40925287e-01 9.99836305e-01] [6.79823559e-01 8.40925287e-01 1.63695357e-04] [6.79823559e-01 1.59074713e-01 9.99836305e-01] [3.20176441e-01 1.59074713e-01 1.63695357e-04] [8.40925287e-01 9.99836305e-01 3.20176441e-01] [8.40925287e-01 1.63695357e-04 6.79823559e-01] [1.59074713e-01 9.99836305e-01 6.79823559e-01] [1.59074713e-01 1.63695357e-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([[33.14908479911754, 1.080944937512532e-31, 7.142472227506238e-32], [-8.553528662323234e-32, 33.14908479911754, 6.217673264206612e-17], [-6.973574576910116e-32, 6.217673264206633e-17, 33.14908479911754]]) 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] [ 2.19907601e-10 2.19907601e-10 8.66786224e-10] [-2.19907601e-10 -2.19907601e-10 8.66786224e-10] [-2.19907601e-10 2.19907601e-10 -8.66786224e-10] [ 2.19907601e-10 -2.19907601e-10 -8.66786224e-10] [ 8.66786224e-10 2.19907601e-10 2.19907601e-10] [ 8.66786224e-10 -2.19907601e-10 -2.19907601e-10] [-8.66786224e-10 -2.19907601e-10 2.19907601e-10] [-8.66786224e-10 2.19907601e-10 -2.19907601e-10] [ 2.19907601e-10 8.66786224e-10 2.19907601e-10] [-2.19907601e-10 8.66786224e-10 -2.19907601e-10] [ 2.19907601e-10 -8.66786224e-10 -2.19907601e-10] [-2.19907601e-10 -8.66786224e-10 2.19907601e-10] [ 2.19907601e-10 2.19907601e-10 8.66786224e-10] [-2.19907601e-10 -2.19907601e-10 8.66786224e-10] [-2.19907601e-10 2.19907601e-10 -8.66786224e-10] [ 2.19907601e-10 -2.19907601e-10 -8.66786224e-10] [ 8.66786224e-10 2.19907601e-10 2.19907601e-10] [ 8.66786224e-10 -2.19907601e-10 -2.19907601e-10] [-8.66786224e-10 -2.19907601e-10 2.19907601e-10] [-8.66786224e-10 2.19907601e-10 -2.19907601e-10] [ 2.19907601e-10 8.66786224e-10 2.19907601e-10] [-2.19907601e-10 8.66786224e-10 -2.19907601e-10] [ 2.19907601e-10 -8.66786224e-10 -2.19907601e-10] [-2.19907601e-10 -8.66786224e-10 2.19907601e-10] [-4.33393112e-10 3.01353684e-10 -8.14460829e-11] [ 4.33393112e-10 -3.01353684e-10 -8.14460829e-11] [ 4.33393112e-10 3.01353684e-10 8.14460829e-11] [-4.33393112e-10 -3.01353684e-10 8.14460829e-11] [-8.14460829e-11 -4.33393112e-10 3.01353684e-10] [-8.14460829e-11 4.33393112e-10 -3.01353684e-10] [ 8.14460829e-11 4.33393112e-10 3.01353684e-10] [ 8.14460829e-11 -4.33393112e-10 -3.01353684e-10] [ 3.01353684e-10 -8.14460829e-11 -4.33393112e-10] [-3.01353684e-10 -8.14460829e-11 4.33393112e-10] [ 3.01353684e-10 8.14460829e-11 4.33393112e-10] [-3.01353684e-10 8.14460829e-11 -4.33393112e-10] [ 3.01353684e-10 -4.33393112e-10 -8.14460829e-11] [-3.01353684e-10 4.33393112e-10 -8.14460829e-11] [ 3.01353684e-10 4.33393112e-10 8.14460829e-11] [-3.01353684e-10 -4.33393112e-10 8.14460829e-11] [-4.33393112e-10 -8.14460829e-11 3.01353684e-10] [ 4.33393112e-10 -8.14460829e-11 -3.01353684e-10] [ 4.33393112e-10 8.14460829e-11 3.01353684e-10] [-4.33393112e-10 8.14460829e-11 -3.01353684e-10] [-8.14460829e-11 3.01353684e-10 -4.33393112e-10] [-8.14460829e-11 -3.01353684e-10 4.33393112e-10] [ 8.14460829e-11 3.01353684e-10 4.33393112e-10] [ 8.14460829e-11 -3.01353684e-10 -4.33393112e-10] [-4.33393112e-10 3.01353684e-10 -8.14460829e-11] [ 4.33393112e-10 -3.01353684e-10 -8.14460829e-11] [ 4.33393112e-10 3.01353684e-10 8.14460829e-11] [-4.33393112e-10 -3.01353684e-10 8.14460829e-11] [-8.14460829e-11 -4.33393112e-10 3.01353684e-10] [-8.14460829e-11 4.33393112e-10 -3.01353684e-10] [ 8.14460829e-11 4.33393112e-10 3.01353684e-10] [ 8.14460829e-11 -4.33393112e-10 -3.01353684e-10] [ 3.01353684e-10 -8.14460829e-11 -4.33393112e-10] [-3.01353684e-10 -8.14460829e-11 4.33393112e-10] [ 3.01353684e-10 8.14460829e-11 4.33393112e-10] [-3.01353684e-10 8.14460829e-11 -4.33393112e-10] [ 3.01353684e-10 -4.33393112e-10 -8.14460829e-11] [-3.01353684e-10 4.33393112e-10 -8.14460829e-11] [ 3.01353684e-10 4.33393112e-10 8.14460829e-11] [-3.01353684e-10 -4.33393112e-10 8.14460829e-11] [-4.33393112e-10 -8.14460829e-11 3.01353684e-10] [ 4.33393112e-10 -8.14460829e-11 -3.01353684e-10] [ 4.33393112e-10 8.14460829e-11 3.01353684e-10] [-4.33393112e-10 8.14460829e-11 -3.01353684e-10] [-8.14460829e-11 3.01353684e-10 -4.33393112e-10] [-8.14460829e-11 -3.01353684e-10 4.33393112e-10] [ 8.14460829e-11 3.01353684e-10 4.33393112e-10] [ 8.14460829e-11 -3.01353684e-10 -4.33393112e-10]] stress = [-1.72435275e-12 -1.72435275e-12 -1.72435275e-12 -8.27788410e-29 -7.47801127e-36 -7.38096413e-53] 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