element(s): ['Si'] AFLOW prototype label: A_oC92_63_ce2f2g3h Parameter names: ['a', 'b/a', 'c/a', 'y1', 'x2', 'y3', 'z3', 'y4', 'z4', 'x5', 'y5', 'x6', 'y6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.8175', '0.76472127', '0.59618255', '0.14451121', '0.3989819', '0.75155355', '0.56020189', '0.57865634', '0.63103039', '0.61588756', '0.5449893', '0.92923425', '0.87216844', '0.11899988', '0.78738309', '0.44063684', '0.17613844', '0.62454305', '0.37329271', '0.3077052', '0.58172809', '0.44099105'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0.14451121 0.25 ] [0.3989819 0. 0. ] [0. 0.75155355 0.56020189] [0. 0.57865634 0.63103039] [0.11588756 0.0449893 0.25 ] [0.42923425 0.37216844 0.25 ] [0.61899988 0.28738309 0.44063684] [0.67613844 0.12454305 0.37329271] [0.8077052 0.08172809 0.44099105]] spacegroup = 63 cell = [[16.8175, 0, 0], [0, 12.8607, 0], [0, 0, 10.0263]] ========================================= Step Time Energy fmax BFGS: 0 16:49:06 1492.375669 19.2379 BFGS: 1 16:49:06 1489.028198 19.1881 BFGS: 2 16:49:06 1485.748021 19.1387 BFGS: 3 16:49:06 1482.522496 19.0938 BFGS: 4 16:49:06 1479.341931 19.0496 BFGS: 5 16:49:06 1476.199360 19.0060 BFGS: 6 16:49:06 1473.089649 18.9627 BFGS: 7 16:49:06 1470.010047 18.9196 BFGS: 8 16:49:06 1466.957459 18.8768 BFGS: 9 16:49:06 1463.929259 18.8342 BFGS: 10 16:49:06 1460.923268 18.7920 BFGS: 11 16:49:07 1457.937673 18.7499 BFGS: 12 16:49:07 1454.970977 18.7079 BFGS: 13 16:49:07 1452.021905 18.6661 BFGS: 14 16:49:07 1449.089332 18.6244 BFGS: 15 16:49:08 1446.172254 18.5828 BFGS: 16 16:49:08 1443.269841 18.5413 BFGS: 17 16:49:08 1440.381223 18.5000 BFGS: 18 16:49:08 1437.505685 18.4592 BFGS: 19 16:49:09 1434.642512 18.4186 BFGS: 20 16:49:09 1431.791264 18.3780 BFGS: 21 16:49:09 1428.951332 18.3376 BFGS: 22 16:49:09 1426.122209 18.2972 BFGS: 23 16:49:09 1423.303542 18.2570 BFGS: 24 16:49:09 1420.494880 18.2168 BFGS: 25 16:49:10 1417.695886 18.1767 BFGS: 26 16:49:10 1414.906305 18.1367 BFGS: 27 16:49:10 1412.125906 18.0968 BFGS: 28 16:49:11 1409.354476 18.0570 BFGS: 29 16:49:11 1406.591812 18.0173 BFGS: 30 16:49:11 1403.837654 17.9776 BFGS: 31 16:49:11 1401.091829 17.9380 BFGS: 32 16:49:11 1398.354181 17.8985 BFGS: 33 16:49:11 1395.624568 17.8591 BFGS: 34 16:49:12 1392.902839 17.8197 BFGS: 35 16:49:12 1390.188828 17.7804 BFGS: 36 16:49:12 1387.482408 17.7412 BFGS: 37 16:49:12 1384.783354 17.7021 BFGS: 38 16:49:12 1382.091546 17.6630 BFGS: 39 16:49:13 1379.406921 17.6240 BFGS: 40 16:49:13 1376.729391 17.5852 BFGS: 41 16:49:13 1374.058849 17.5467 BFGS: 42 16:49:14 1371.395182 17.5083 BFGS: 43 16:49:14 1368.738318 17.4699 BFGS: 44 16:49:14 1366.088192 17.4316 BFGS: 45 16:49:15 1363.444741 17.3933 BFGS: 46 16:49:15 1360.807906 17.3551 BFGS: 47 16:49:15 1358.177629 17.3170 BFGS: 48 16:49:15 1355.553789 17.2790 BFGS: 49 16:49:15 1352.936309 17.2410 BFGS: 50 16:49:16 1350.325141 17.2031 BFGS: 51 16:49:16 1347.720239 17.1653 BFGS: 52 16:49:16 1345.121561 17.1275 BFGS: 53 16:49:16 1342.529065 17.0897 BFGS: 54 16:49:17 1339.942710 17.0521 BFGS: 55 16:49:17 1337.362459 17.0144 BFGS: 56 16:49:17 1334.788275 16.9769 BFGS: 57 16:49:18 1332.220121 16.9394 BFGS: 58 16:49:18 1329.657950 16.9023 BFGS: 59 16:49:18 1327.101690 16.8653 BFGS: 60 16:49:19 1324.551257 16.8284 BFGS: 61 16:49:19 1322.006613 16.7916 BFGS: 62 16:49:19 1319.467721 16.7548 BFGS: 63 16:49:20 1316.934545 16.7181 BFGS: 64 16:49:20 1314.407051 16.6815 BFGS: 65 16:49:20 1311.885205 16.6449 BFGS: 66 16:49:20 1309.368965 16.6085 BFGS: 67 16:49:20 1306.858204 16.5723 BFGS: 68 16:49:21 1304.352868 16.5361 BFGS: 69 16:49:21 1301.852929 16.4999 BFGS: 70 16:49:21 1299.358361 16.4639 BFGS: 71 16:49:21 1296.869130 16.4279 BFGS: 72 16:49:21 1294.385270 16.3921 BFGS: 73 16:49:21 1291.906772 16.3563 BFGS: 74 16:49:22 1289.433608 16.3206 BFGS: 75 16:49:22 1286.965750 16.2850 BFGS: 76 16:49:22 1284.503169 16.2494 BFGS: 77 16:49:22 1282.045837 16.2138 BFGS: 78 16:49:22 1279.593728 16.1783 BFGS: 79 16:49:22 1277.146814 16.1429 BFGS: 80 16:49:23 1274.705067 16.1075 BFGS: 81 16:49:23 1272.268461 16.0722 BFGS: 82 16:49:23 1269.836968 16.0369 BFGS: 83 16:49:23 1267.410562 16.0017 BFGS: 84 16:49:23 1264.989497 15.9665 BFGS: 85 16:49:23 1262.573778 15.9314 BFGS: 86 16:49:24 1260.163375 15.8963 BFGS: 87 16:49:24 1257.758257 15.8613 BFGS: 88 16:49:24 1255.358393 15.8263 BFGS: 89 16:49:24 1252.963753 15.7914 BFGS: 90 16:49:24 1250.574305 15.7566 BFGS: 91 16:49:24 1248.190020 15.7218 BFGS: 92 16:49:24 1245.810864 15.6870 BFGS: 93 16:49:25 1243.436807 15.6524 BFGS: 94 16:49:25 1241.067816 15.6177 BFGS: 95 16:49:25 1238.703834 15.5831 BFGS: 96 16:49:25 1236.344765 15.5487 BFGS: 97 16:49:25 1233.990512 15.5144 BFGS: 98 16:49:25 1231.641021 15.4801 BFGS: 99 16:49:25 1229.296255 15.4459 BFGS: 100 16:49:25 1226.956178 15.4117 BFGS: 101 16:49:25 1224.620756 15.3776 BFGS: 102 16:49:26 1222.289949 15.3435 BFGS: 103 16:49:26 1219.963689 15.3095 BFGS: 104 16:49:26 1217.641921 15.2755 BFGS: 105 16:49:26 1215.324613 15.2416 BFGS: 106 16:49:26 1213.011719 15.2077 BFGS: 107 16:49:27 1210.703204 15.1739 BFGS: 108 16:49:27 1208.399030 15.1402 BFGS: 109 16:49:27 1206.099156 15.1065 BFGS: 110 16:49:27 1203.803535 15.0730 BFGS: 111 16:49:27 1201.512224 15.0396 BFGS: 112 16:49:28 1199.225209 15.0063 BFGS: 113 16:49:28 1196.942448 14.9730 BFGS: 114 16:49:28 1194.663883 14.9398 BFGS: 115 16:49:28 1192.389430 14.9066 BFGS: 116 16:49:29 1190.119048 14.8734 BFGS: 117 16:49:29 1187.852699 14.8403 BFGS: 118 16:49:29 1185.590342 14.8073 BFGS: 119 16:49:29 1183.331939 14.7742 BFGS: 120 16:49:29 1181.077450 14.7412 BFGS: 121 16:49:29 1178.826837 14.7083 BFGS: 122 16:49:30 1176.580057 14.6755 BFGS: 123 16:49:30 1174.337048 14.6434 BFGS: 124 16:49:30 1172.097936 14.6114 BFGS: 125 16:49:30 1169.862719 14.5795 BFGS: 126 16:49:30 1167.631356 14.5476 BFGS: 127 16:49:31 1165.403699 14.5158 BFGS: 128 16:49:31 1163.179477 14.4840 BFGS: 129 16:49:31 1160.958625 14.4522 BFGS: 130 16:49:31 1158.741078 14.4204 BFGS: 131 16:49:31 1156.526775 14.3887 BFGS: 132 16:49:32 1154.315656 14.3570 BFGS: 133 16:49:32 1152.107623 14.3256 BFGS: 134 16:49:32 1149.902633 14.2943 BFGS: 135 16:49:32 1147.700651 14.2632 BFGS: 136 16:49:32 1145.501627 14.2320 BFGS: 137 16:49:32 1143.305493 14.2010 BFGS: 138 16:49:32 1141.112231 14.1702 BFGS: 139 16:49:32 1138.921813 14.1394 BFGS: 140 16:49:32 1136.734107 14.1087 BFGS: 141 16:49:32 1134.548826 14.0783 BFGS: 142 16:49:33 1132.365830 14.0479 BFGS: 143 16:49:33 1130.185076 14.0175 BFGS: 144 16:49:33 1128.006517 13.9872 BFGS: 145 16:49:33 1125.830114 13.9568 BFGS: 146 16:49:33 1123.655819 13.9265 BFGS: 147 16:49:33 1121.483526 13.8961 BFGS: 148 16:49:33 1119.313181 13.8658 BFGS: 149 16:49:33 1117.144743 13.8355 BFGS: 150 16:49:33 1114.978175 13.8052 BFGS: 151 16:49:33 1112.813441 13.7749 BFGS: 152 16:49:33 1110.650510 13.7446 BFGS: 153 16:49:33 1108.489352 13.7143 BFGS: 154 16:49:34 1106.329940 13.6840 BFGS: 155 16:49:34 1104.172252 13.6537 BFGS: 156 16:49:34 1102.016267 13.6234 BFGS: 157 16:49:34 1099.861967 13.5931 BFGS: 158 16:49:34 1097.709334 13.5629 BFGS: 159 16:49:34 1095.558403 13.5327 BFGS: 160 16:49:34 1093.409162 13.5024 BFGS: 161 16:49:35 1091.261605 13.4722 BFGS: 162 16:49:35 1089.115727 13.4420 BFGS: 163 16:49:35 1086.971489 13.4120 BFGS: 164 16:49:35 1084.828799 13.3821 BFGS: 165 16:49:35 1082.687648 13.3522 BFGS: 166 16:49:35 1080.548041 13.3223 BFGS: 167 16:49:35 1078.409987 13.2923 BFGS: 168 16:49:36 1076.273500 13.2623 BFGS: 169 16:49:36 1074.138598 13.2324 BFGS: 170 16:49:36 1072.005293 13.2026 BFGS: 171 16:49:36 1069.873641 13.1730 BFGS: 172 16:49:36 1067.743719 13.1434 BFGS: 173 16:49:36 1065.615555 13.1137 BFGS: 174 16:49:37 1063.489178 13.0841 BFGS: 175 16:49:37 1061.364623 13.0544 BFGS: 176 16:49:37 1059.241928 13.0247 BFGS: 177 16:49:37 1057.121134 12.9950 BFGS: 178 16:49:37 1055.002287 12.9653 BFGS: 179 16:49:37 1052.885432 12.9356 BFGS: 180 16:49:37 1050.770525 12.9062 BFGS: 181 16:49:37 1048.657421 12.8769 BFGS: 182 16:49:37 1046.546080 12.8482 BFGS: 183 16:49:38 1044.436615 12.8195 BFGS: 184 16:49:38 1042.329120 12.7908 BFGS: 185 16:49:38 1040.223639 12.7622 BFGS: 186 16:49:38 1038.120118 12.7335 BFGS: 187 16:49:38 1036.018585 12.7049 BFGS: 188 16:49:38 1033.919055 12.6766 BFGS: 189 16:49:38 1031.821549 12.6483 BFGS: 190 16:49:38 1029.726150 12.6200 BFGS: 191 16:49:38 1027.632922 12.5917 BFGS: 192 16:49:38 1025.541934 12.5634 BFGS: 193 16:49:38 1023.453259 12.5351 BFGS: 194 16:49:39 1021.366973 12.5067 BFGS: 195 16:49:39 1019.283152 12.4783 BFGS: 196 16:49:39 1017.201873 12.4498 BFGS: 197 16:49:39 1015.123216 12.4213 BFGS: 198 16:49:39 1013.047272 12.3933 BFGS: 199 16:49:39 1010.974258 12.3663 BFGS: 200 16:49:39 1008.904330 12.3393 BFGS: 201 16:49:39 1006.837449 12.3122 BFGS: 202 16:49:39 1004.773669 12.2850 BFGS: 203 16:49:39 1002.713056 12.2578 BFGS: 204 16:49:39 1000.655680 12.2305 BFGS: 205 16:49:39 998.601607 12.2032 BFGS: 206 16:49:39 996.550905 12.1758 BFGS: 207 16:49:39 994.503642 12.1483 BFGS: 208 16:49:40 992.459883 12.1207 BFGS: 209 16:49:40 990.419675 12.0931 BFGS: 210 16:49:40 988.382910 12.0655 BFGS: 211 16:49:40 986.349620 12.0380 BFGS: 212 16:49:40 984.319776 12.0108 BFGS: 213 16:49:40 982.293485 11.9837 BFGS: 214 16:49:40 980.270916 11.9566 BFGS: 215 16:49:40 978.252146 11.9298 BFGS: 216 16:49:40 976.237175 11.9033 BFGS: 217 16:49:40 974.226103 11.8767 BFGS: 218 16:49:40 972.218987 11.8500 BFGS: 219 16:49:40 970.215877 11.8233 BFGS: 220 16:49:40 968.216816 11.7966 BFGS: 221 16:49:40 966.221840 11.7698 BFGS: 222 16:49:40 964.230986 11.7430 BFGS: 223 16:49:40 962.244056 11.7174 BFGS: 224 16:49:40 960.261210 11.6918 BFGS: 225 16:49:41 958.282438 11.6661 BFGS: 226 16:49:41 956.307747 11.6404 BFGS: 227 16:49:41 954.337140 11.6148 BFGS: 228 16:49:41 952.370648 11.5891 BFGS: 229 16:49:41 950.408292 11.5633 BFGS: 230 16:49:41 948.450097 11.5374 BFGS: 231 16:49:41 946.496082 11.5115 BFGS: 232 16:49:41 944.546265 11.4854 BFGS: 233 16:49:41 942.600663 11.4593 BFGS: 234 16:49:42 940.659281 11.4331 BFGS: 235 16:49:42 938.722128 11.4068 BFGS: 236 16:49:42 936.789214 11.3804 BFGS: 237 16:49:42 934.860550 11.3539 BFGS: 238 16:49:42 932.936128 11.3278 BFGS: 239 16:49:42 931.015867 11.3025 BFGS: 240 16:49:42 929.099941 11.2771 BFGS: 241 16:49:42 927.188340 11.2516 BFGS: 242 16:49:42 925.281056 11.2260 BFGS: 243 16:49:43 923.378084 11.2003 BFGS: 244 16:49:43 921.479421 11.1746 BFGS: 245 16:49:43 919.585061 11.1487 BFGS: 246 16:49:43 917.695006 11.1227 BFGS: 247 16:49:43 915.809254 11.0967 BFGS: 248 16:49:43 913.927808 11.0716 BFGS: 249 16:49:43 912.050672 11.0465 BFGS: 250 16:49:43 910.177852 11.0215 BFGS: 251 16:49:44 908.309328 10.9968 BFGS: 252 16:49:44 906.444980 10.9723 BFGS: 253 16:49:44 904.584611 10.9483 BFGS: 254 16:49:44 902.728110 10.9244 BFGS: 255 16:49:44 900.875585 10.9008 BFGS: 256 16:49:44 899.027190 10.8773 BFGS: 257 16:49:44 897.183000 10.8538 BFGS: 258 16:49:44 895.343066 10.8302 BFGS: 259 16:49:44 893.507366 10.8067 BFGS: 260 16:49:45 891.675782 10.7831 BFGS: 261 16:49:45 889.848376 10.7595 BFGS: 262 16:49:45 888.025103 10.7359 BFGS: 263 16:49:45 886.206253 10.7125 BFGS: 264 16:49:45 884.391971 10.6891 BFGS: 265 16:49:46 882.582326 10.6657 BFGS: 266 16:49:46 880.777366 10.6423 BFGS: 267 16:49:46 878.977160 10.6189 BFGS: 268 16:49:46 877.181778 10.5955 BFGS: 269 16:49:46 875.391286 10.5720 BFGS: 270 16:49:46 873.605745 10.5488 BFGS: 271 16:49:46 871.825054 10.5260 BFGS: 272 16:49:46 870.049131 10.5033 BFGS: 273 16:49:46 868.278015 10.4805 BFGS: 274 16:49:47 866.511813 10.4577 BFGS: 275 16:49:47 864.751000 10.4349 BFGS: 276 16:49:47 862.995686 10.4121 BFGS: 277 16:49:47 861.245917 10.3893 BFGS: 278 16:49:47 859.501737 10.3664 BFGS: 279 16:49:47 857.763185 10.3436 BFGS: 280 16:49:47 856.030298 10.3207 BFGS: 281 16:49:47 854.303108 10.2978 BFGS: 282 16:49:48 852.581597 10.2752 BFGS: 283 16:49:48 850.865769 10.2526 BFGS: 284 16:49:48 849.155615 10.2300 BFGS: 285 16:49:48 847.451071 10.2074 BFGS: 286 16:49:48 845.752155 10.1848 BFGS: 287 16:49:48 844.058869 10.1623 BFGS: 288 16:49:48 842.371202 10.1399 BFGS: 289 16:49:48 840.689061 10.1176 BFGS: 290 16:49:48 839.012392 10.0955 BFGS: 291 16:49:48 837.341148 10.0733 BFGS: 292 16:49:49 835.675187 10.0515 BFGS: 293 16:49:49 834.014168 10.0307 BFGS: 294 16:49:49 832.358027 10.0100 BFGS: 295 16:49:49 830.706558 9.9903 BFGS: 296 16:49:49 829.059494 9.9709 BFGS: 297 16:49:49 827.416674 9.9514 BFGS: 298 16:49:49 825.778016 9.9320 BFGS: 299 16:49:49 824.143438 9.9129 BFGS: 300 16:49:50 822.512684 9.8939 BFGS: 301 16:49:50 820.885454 9.8751 BFGS: 302 16:49:50 819.261767 9.8563 BFGS: 303 16:49:50 817.641574 9.8374 BFGS: 304 16:49:50 816.024710 9.8188 BFGS: 305 16:49:50 814.411234 9.8002 BFGS: 306 16:49:50 812.801169 9.7817 BFGS: 307 16:49:51 811.194468 9.7630 BFGS: 308 16:49:51 809.591043 9.7444 BFGS: 309 16:49:51 807.990769 9.7257 BFGS: 310 16:49:51 806.393588 9.7070 BFGS: 311 16:49:51 804.799440 9.6882 BFGS: 312 16:49:52 803.208250 9.6694 BFGS: 313 16:49:52 801.619918 9.6506 BFGS: 314 16:49:52 800.034383 9.6317 BFGS: 315 16:49:52 798.451551 9.6128 BFGS: 316 16:49:52 796.871286 9.5940 BFGS: 317 16:49:52 795.293476 9.5753 BFGS: 318 16:49:52 793.718106 9.5566 BFGS: 319 16:49:53 792.144980 9.5382 BFGS: 320 16:49:53 790.573773 9.5198 BFGS: 321 16:49:53 789.004392 9.5015 BFGS: 322 16:49:53 787.436750 9.4832 BFGS: 323 16:49:53 785.870804 9.4649 BFGS: 324 16:49:53 784.306496 9.4465 BFGS: 325 16:49:53 782.743744 9.4281 BFGS: 326 16:49:53 781.182358 9.4097 BFGS: 327 16:49:54 779.622220 9.3913 BFGS: 328 16:49:54 778.063249 9.3744 BFGS: 329 16:49:54 776.505375 9.3574 BFGS: 330 16:49:54 774.948557 9.3405 BFGS: 331 16:49:54 773.392757 9.3235 BFGS: 332 16:49:54 771.837946 9.3066 BFGS: 333 16:49:54 770.284098 9.2896 BFGS: 334 16:49:54 768.731192 9.2727 BFGS: 335 16:49:54 767.179212 9.2558 BFGS: 336 16:49:54 765.628148 9.2388 BFGS: 337 16:49:55 764.077992 9.2219 BFGS: 338 16:49:55 762.528726 9.2050 BFGS: 339 16:49:55 760.980627 9.1883 BFGS: 340 16:49:55 759.433300 9.1715 BFGS: 341 16:49:55 757.886779 9.1547 BFGS: 342 16:49:55 756.341073 9.1379 BFGS: 343 16:49:55 754.796151 9.1211 BFGS: 344 16:49:55 753.252059 9.1043 BFGS: 345 16:49:55 751.708846 9.0874 BFGS: 346 16:49:56 750.166556 9.0707 BFGS: 347 16:49:56 748.625105 9.0543 BFGS: 348 16:49:56 747.084458 9.0379 BFGS: 349 16:49:56 745.544501 9.0219 BFGS: 350 16:49:56 744.005329 9.0059 BFGS: 351 16:49:56 742.467024 8.9899 BFGS: 352 16:49:56 740.929665 8.9738 BFGS: 353 16:49:56 739.393336 8.9577 BFGS: 354 16:49:56 737.858124 8.9416 BFGS: 355 16:49:56 736.324120 8.9255 BFGS: 356 16:49:57 734.791415 8.9095 BFGS: 357 16:49:57 733.259994 8.8939 BFGS: 358 16:49:57 731.729883 8.8783 BFGS: 359 16:49:57 730.201183 8.8627 BFGS: 360 16:49:57 728.674054 8.8477 BFGS: 361 16:49:57 727.148972 8.8328 BFGS: 362 16:49:57 725.626055 8.8179 BFGS: 363 16:49:57 724.105395 8.8034 BFGS: 364 16:49:57 722.587148 8.7890 BFGS: 365 16:49:58 721.071470 8.7747 BFGS: 366 16:49:58 719.558476 8.7604 BFGS: 367 16:49:58 718.048281 8.7460 BFGS: 368 16:49:58 716.541004 8.7316 BFGS: 369 16:49:58 715.036761 8.7173 BFGS: 370 16:49:58 713.535673 8.7029 BFGS: 371 16:49:58 712.037857 8.6885 BFGS: 372 16:49:58 710.543437 8.6742 BFGS: 373 16:49:58 709.052511 8.6598 BFGS: 374 16:49:58 707.565196 8.6455 BFGS: 375 16:49:59 706.081568 8.6311 BFGS: 376 16:49:59 704.601666 8.6171 BFGS: 377 16:49:59 703.125581 8.6034 BFGS: 378 16:49:59 701.653446 8.5896 BFGS: 379 16:49:59 700.185382 8.5758 BFGS: 380 16:49:59 698.721519 8.5621 BFGS: 381 16:49:59 697.261973 8.5483 BFGS: 382 16:49:59 695.806861 8.5345 BFGS: 383 16:49:59 694.356296 8.5207 BFGS: 384 16:49:59 692.910391 8.5069 BFGS: 385 16:50:00 691.469256 8.4930 BFGS: 386 16:50:00 690.032998 8.4792 BFGS: 387 16:50:00 688.601724 8.4654 BFGS: 388 16:50:00 687.175535 8.4515 BFGS: 389 16:50:00 685.754226 8.4380 BFGS: 390 16:50:00 684.337343 8.4248 BFGS: 391 16:50:00 682.925016 8.4115 BFGS: 392 16:50:00 681.517336 8.3983 BFGS: 393 16:50:00 680.114271 8.3852 BFGS: 394 16:50:00 678.715920 8.3720 BFGS: 395 16:50:01 677.322392 8.3588 BFGS: 396 16:50:01 675.933790 8.3456 BFGS: 397 16:50:01 674.550311 8.3326 BFGS: 398 16:50:01 673.172280 8.3197 BFGS: 399 16:50:01 671.799813 8.3068 BFGS: 400 16:50:01 670.432991 8.2939 BFGS: 401 16:50:01 669.071891 8.2810 BFGS: 402 16:50:01 667.716577 8.2681 BFGS: 403 16:50:01 666.366869 8.2552 BFGS: 404 16:50:01 665.022550 8.2423 BFGS: 405 16:50:02 663.683691 8.2294 BFGS: 406 16:50:02 662.350362 8.2165 BFGS: 407 16:50:02 661.022627 8.2036 BFGS: 408 16:50:02 659.700550 8.1907 BFGS: 409 16:50:02 658.384186 8.1778 BFGS: 410 16:50:02 657.073591 8.1649 BFGS: 411 16:50:02 655.768815 8.1519 BFGS: 412 16:50:02 654.469897 8.1391 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BFGS: 440 16:50:05 620.440526 7.7789 BFGS: 441 16:50:05 619.306376 7.7662 BFGS: 442 16:50:05 618.177019 7.7534 BFGS: 443 16:50:05 617.052340 7.7407 BFGS: 444 16:50:05 615.932301 7.7279 BFGS: 445 16:50:05 614.816864 7.7151 BFGS: 446 16:50:05 613.705990 7.7023 BFGS: 447 16:50:05 612.599636 7.6895 BFGS: 448 16:50:06 611.497761 7.6766 BFGS: 449 16:50:06 610.400321 7.6638 BFGS: 450 16:50:06 609.307272 7.6509 BFGS: 451 16:50:06 608.218568 7.6380 BFGS: 452 16:50:06 607.134163 7.6251 BFGS: 453 16:50:06 606.054009 7.6122 BFGS: 454 16:50:06 604.978060 7.5993 BFGS: 455 16:50:06 603.906265 7.5864 BFGS: 456 16:50:06 602.838577 7.5735 BFGS: 457 16:50:06 601.774946 7.5605 BFGS: 458 16:50:07 600.715322 7.5476 BFGS: 459 16:50:07 599.659654 7.5346 BFGS: 460 16:50:07 598.607894 7.5217 BFGS: 461 16:50:07 597.559993 7.5087 BFGS: 462 16:50:07 596.515964 7.4958 BFGS: 463 16:50:07 595.475795 7.4829 BFGS: 464 16:50:07 594.439425 7.4700 BFGS: 465 16:50:07 593.406795 7.4571 BFGS: 466 16:50:07 592.377845 7.4442 BFGS: 467 16:50:07 591.352517 7.4313 BFGS: 468 16:50:08 590.330714 7.4184 BFGS: 469 16:50:08 589.312328 7.4056 BFGS: 470 16:50:08 588.297250 7.3928 BFGS: 471 16:50:08 587.285438 7.3800 BFGS: 472 16:50:08 586.276836 7.3673 BFGS: 473 16:50:08 585.271339 7.3546 BFGS: 474 16:50:08 584.268861 7.3419 BFGS: 475 16:50:08 583.269359 7.3292 BFGS: 476 16:50:08 582.272791 7.3165 BFGS: 477 16:50:09 581.279113 7.3038 BFGS: 478 16:50:09 580.288283 7.2912 BFGS: 479 16:50:09 579.300259 7.2785 BFGS: 480 16:50:09 578.315001 7.2658 BFGS: 481 16:50:09 577.332468 7.2531 BFGS: 482 16:50:09 576.352620 7.2404 BFGS: 483 16:50:09 575.375419 7.2277 BFGS: 484 16:50:09 574.400825 7.2151 BFGS: 485 16:50:09 573.428706 7.2024 BFGS: 486 16:50:10 572.458861 7.1898 BFGS: 487 16:50:10 571.491257 7.1771 BFGS: 488 16:50:10 570.525864 7.1645 BFGS: 489 16:50:10 569.562654 7.1519 BFGS: 490 16:50:10 568.601576 7.1394 BFGS: 491 16:50:10 567.642574 7.1270 BFGS: 492 16:50:10 566.685624 7.1145 BFGS: 493 16:50:10 565.730703 7.1021 BFGS: 494 16:50:10 564.777788 7.0896 BFGS: 495 16:50:11 563.826854 7.0772 BFGS: 496 16:50:11 562.877878 7.0648 BFGS: 497 16:50:11 561.930837 7.0524 BFGS: 498 16:50:11 560.985707 7.0400 BFGS: 499 16:50:11 560.042452 7.0276 BFGS: 500 16:50:11 559.101014 7.0152 BFGS: 501 16:50:11 558.161369 7.0028 BFGS: 502 16:50:11 557.223493 6.9905 BFGS: 503 16:50:11 556.287363 6.9781 BFGS: 504 16:50:12 555.352956 6.9657 BFGS: 505 16:50:12 554.420247 6.9534 BFGS: 506 16:50:12 553.489112 6.9410 BFGS: 507 16:50:12 552.559352 6.9286 BFGS: 508 16:50:12 551.630946 6.9162 BFGS: 509 16:50:12 550.703873 6.9038 BFGS: 510 16:50:12 549.778112 6.8914 BFGS: 511 16:50:12 548.853645 6.8790 BFGS: 512 16:50:12 547.930454 6.8666 BFGS: 513 16:50:13 547.008522 6.8542 BFGS: 514 16:50:13 546.087828 6.8418 BFGS: 515 16:50:13 545.168340 6.8297 BFGS: 516 16:50:13 544.250039 6.8179 BFGS: 517 16:50:13 543.332948 6.8061 BFGS: 518 16:50:13 542.417046 6.7943 BFGS: 519 16:50:13 541.502312 6.7824 BFGS: 520 16:50:13 540.588727 6.7706 BFGS: 521 16:50:13 539.676270 6.7587 BFGS: 522 16:50:14 538.764914 6.7469 BFGS: 523 16:50:14 537.854590 6.7351 BFGS: 524 16:50:14 536.945267 6.7233 BFGS: 525 16:50:14 536.036889 6.7116 BFGS: 526 16:50:14 535.129411 6.6998 BFGS: 527 16:50:14 534.222817 6.6881 BFGS: 528 16:50:14 533.317096 6.6763 BFGS: 529 16:50:14 532.412234 6.6645 BFGS: 530 16:50:14 531.508221 6.6527 BFGS: 531 16:50:14 530.605044 6.6409 BFGS: 532 16:50:15 529.702693 6.6291 BFGS: 533 16:50:15 528.801157 6.6173 BFGS: 534 16:50:15 527.900429 6.6054 BFGS: 535 16:50:15 527.000498 6.5935 BFGS: 536 16:50:15 526.101357 6.5816 BFGS: 537 16:50:15 525.202918 6.5698 BFGS: 538 16:50:15 524.305023 6.5579 BFGS: 539 16:50:15 523.407657 6.5460 BFGS: 540 16:50:15 522.510812 6.5341 BFGS: 541 16:50:15 521.614497 6.5222 BFGS: 542 16:50:15 520.718698 6.5102 BFGS: 543 16:50:16 519.823413 6.4983 BFGS: 544 16:50:16 518.928637 6.4863 BFGS: 545 16:50:16 518.034369 6.4743 BFGS: 546 16:50:16 517.140607 6.4622 BFGS: 547 16:50:16 516.247350 6.4502 BFGS: 548 16:50:16 515.354588 6.4381 BFGS: 549 16:50:16 514.462318 6.4260 BFGS: 550 16:50:16 513.570541 6.4139 BFGS: 551 16:50:16 512.679262 6.4017 BFGS: 552 16:50:16 511.788484 6.3895 BFGS: 553 16:50:16 510.898213 6.3773 BFGS: 554 16:50:16 510.008455 6.3651 BFGS: 555 16:50:17 509.119216 6.3529 BFGS: 556 16:50:17 508.230492 6.3406 BFGS: 557 16:50:17 507.342264 6.3284 BFGS: 558 16:50:17 506.454538 6.3162 BFGS: 559 16:50:17 505.567322 6.3039 BFGS: 560 16:50:17 504.680627 6.2916 BFGS: 561 16:50:17 503.794464 6.2792 BFGS: 562 16:50:17 502.908837 6.2670 BFGS: 563 16:50:17 502.023771 6.2549 BFGS: 564 16:50:17 501.139285 6.2427 BFGS: 565 16:50:17 500.255396 6.2306 BFGS: 566 16:50:17 499.372119 6.2183 BFGS: 567 16:50:18 498.489472 6.2061 BFGS: 568 16:50:18 497.607475 6.1938 BFGS: 569 16:50:18 496.726143 6.1815 BFGS: 570 16:50:18 495.845497 6.1692 BFGS: 571 16:50:18 494.965554 6.1569 BFGS: 572 16:50:18 494.086337 6.1445 BFGS: 573 16:50:18 493.207864 6.1321 BFGS: 574 16:50:18 492.330154 6.1197 BFGS: 575 16:50:18 491.453189 6.1075 BFGS: 576 16:50:18 490.576991 6.0952 BFGS: 577 16:50:18 489.701586 6.0829 BFGS: 578 16:50:19 488.827000 6.0705 BFGS: 579 16:50:19 487.953253 6.0583 BFGS: 580 16:50:19 487.080401 6.0461 BFGS: 581 16:50:19 486.208473 6.0338 BFGS: 582 16:50:19 485.337494 6.0216 BFGS: 583 16:50:19 484.467488 6.0093 BFGS: 584 16:50:19 483.598481 5.9969 BFGS: 585 16:50:19 482.730499 5.9846 BFGS: 586 16:50:19 481.863568 5.9722 BFGS: 587 16:50:19 480.997713 5.9598 BFGS: 588 16:50:19 480.132961 5.9474 BFGS: 589 16:50:19 479.269336 5.9350 BFGS: 590 16:50:20 478.406864 5.9226 BFGS: 591 16:50:20 477.545570 5.9102 BFGS: 592 16:50:20 476.685490 5.8978 BFGS: 593 16:50:20 475.826659 5.8854 BFGS: 594 16:50:20 474.969103 5.8730 BFGS: 595 16:50:20 474.112843 5.8607 BFGS: 596 16:50:20 473.257895 5.8484 BFGS: 597 16:50:20 472.404282 5.8362 BFGS: 598 16:50:20 471.552028 5.8239 BFGS: 599 16:50:20 470.701156 5.8116 BFGS: 600 16:50:20 469.851689 5.7993 BFGS: 601 16:50:20 469.003649 5.7870 BFGS: 602 16:50:20 468.157056 5.7747 BFGS: 603 16:50:20 467.311933 5.7624 BFGS: 604 16:50:20 466.468299 5.7501 BFGS: 605 16:50:20 465.626175 5.7377 BFGS: 606 16:50:20 464.785578 5.7254 BFGS: 607 16:50:20 463.946529 5.7131 BFGS: 608 16:50:20 463.109043 5.7008 BFGS: 609 16:50:20 462.273133 5.6887 BFGS: 610 16:50:20 461.438830 5.6765 BFGS: 611 16:50:20 460.606152 5.6644 BFGS: 612 16:50:21 459.775113 5.6522 BFGS: 613 16:50:21 458.945728 5.6401 BFGS: 614 16:50:21 458.118016 5.6281 BFGS: 615 16:50:21 457.292004 5.6160 BFGS: 616 16:50:21 456.467706 5.6040 BFGS: 617 16:50:21 455.645133 5.5920 BFGS: 618 16:50:21 454.824296 5.5799 BFGS: 619 16:50:21 454.005207 5.5679 BFGS: 620 16:50:21 453.187876 5.5559 BFGS: 621 16:50:21 452.372313 5.5439 BFGS: 622 16:50:21 451.558528 5.5319 BFGS: 623 16:50:21 450.746529 5.5199 BFGS: 624 16:50:21 449.936326 5.5080 BFGS: 625 16:50:21 449.127902 5.4963 BFGS: 626 16:50:21 448.321277 5.4846 BFGS: 627 16:50:21 447.516458 5.4729 BFGS: 628 16:50:21 446.713451 5.4612 BFGS: 629 16:50:21 445.912265 5.4495 BFGS: 630 16:50:21 445.112904 5.4379 BFGS: 631 16:50:22 444.315373 5.4264 BFGS: 632 16:50:22 443.519693 5.4150 BFGS: 633 16:50:22 442.725905 5.4037 BFGS: 634 16:50:22 441.934011 5.3924 BFGS: 635 16:50:22 441.144015 5.3811 BFGS: 636 16:50:22 440.355919 5.3698 BFGS: 637 16:50:22 439.569724 5.3586 BFGS: 638 16:50:22 438.785432 5.3474 BFGS: 639 16:50:22 438.003013 5.3361 BFGS: 640 16:50:22 437.222451 5.3249 BFGS: 641 16:50:22 436.443749 5.3138 BFGS: 642 16:50:22 435.666909 5.3026 BFGS: 643 16:50:22 434.891932 5.2914 BFGS: 644 16:50:22 434.118819 5.2804 BFGS: 645 16:50:22 433.347577 5.2693 BFGS: 646 16:50:22 432.578208 5.2582 BFGS: 647 16:50:22 431.810710 5.2472 BFGS: 648 16:50:22 431.045086 5.2362 BFGS: 649 16:50:22 430.281333 5.2252 BFGS: 650 16:50:22 429.519453 5.2142 BFGS: 651 16:50:22 428.759444 5.2032 BFGS: 652 16:50:22 428.001292 5.1924 BFGS: 653 16:50:22 427.244995 5.1817 BFGS: 654 16:50:23 426.490497 5.1712 BFGS: 655 16:50:23 425.737709 5.1608 BFGS: 656 16:50:23 424.986632 5.1504 BFGS: 657 16:50:23 424.237270 5.1401 BFGS: 658 16:50:23 423.489625 5.1297 BFGS: 659 16:50:23 422.743700 5.1193 BFGS: 660 16:50:23 421.999496 5.1090 BFGS: 661 16:50:23 421.257016 5.0987 BFGS: 662 16:50:23 420.516261 5.0884 BFGS: 663 16:50:23 419.777234 5.0781 BFGS: 664 16:50:23 419.039935 5.0678 BFGS: 665 16:50:23 418.304365 5.0575 BFGS: 666 16:50:23 417.570526 5.0473 BFGS: 667 16:50:23 416.838417 5.0370 BFGS: 668 16:50:23 416.108041 5.0268 BFGS: 669 16:50:23 415.379396 5.0166 BFGS: 670 16:50:23 414.652483 5.0064 BFGS: 671 16:50:23 413.927301 4.9962 BFGS: 672 16:50:23 413.203850 4.9861 BFGS: 673 16:50:23 412.482104 4.9760 BFGS: 674 16:50:24 411.762046 4.9659 BFGS: 675 16:50:24 411.043674 4.9558 BFGS: 676 16:50:24 410.326986 4.9458 BFGS: 677 16:50:24 409.611980 4.9357 BFGS: 678 16:50:24 408.898655 4.9257 BFGS: 679 16:50:24 408.187010 4.9157 BFGS: 680 16:50:24 407.477041 4.9057 BFGS: 681 16:50:24 406.768746 4.8958 BFGS: 682 16:50:24 406.062120 4.8859 BFGS: 683 16:50:24 405.357156 4.8761 BFGS: 684 16:50:24 404.653797 4.8663 BFGS: 685 16:50:24 403.952014 4.8565 BFGS: 686 16:50:24 403.251809 4.8468 BFGS: 687 16:50:24 402.553180 4.8370 BFGS: 688 16:50:24 401.856128 4.8273 BFGS: 689 16:50:24 401.160652 4.8176 BFGS: 690 16:50:24 400.466752 4.8079 BFGS: 691 16:50:24 399.774427 4.7982 BFGS: 692 16:50:24 399.083677 4.7885 BFGS: 693 16:50:25 398.394500 4.7788 BFGS: 694 16:50:25 397.706896 4.7691 BFGS: 695 16:50:25 397.020841 4.7597 BFGS: 696 16:50:25 396.336227 4.7504 BFGS: 697 16:50:25 395.653031 4.7411 BFGS: 698 16:50:25 394.971251 4.7318 BFGS: 699 16:50:25 394.290889 4.7226 BFGS: 700 16:50:25 393.611943 4.7133 BFGS: 701 16:50:25 392.934413 4.7041 BFGS: 702 16:50:25 392.258300 4.6949 BFGS: 703 16:50:25 391.583603 4.6857 BFGS: 704 16:50:25 390.910322 4.6765 BFGS: 705 16:50:25 390.238407 4.6675 BFGS: 706 16:50:25 389.567816 4.6585 BFGS: 707 16:50:25 388.898546 4.6495 BFGS: 708 16:50:26 388.230597 4.6405 BFGS: 709 16:50:26 387.563968 4.6315 BFGS: 710 16:50:26 386.898657 4.6226 BFGS: 711 16:50:26 386.234663 4.6136 BFGS: 712 16:50:26 385.571986 4.6047 BFGS: 713 16:50:26 384.910625 4.5957 BFGS: 714 16:50:26 384.250580 4.5868 BFGS: 715 16:50:26 383.591849 4.5779 BFGS: 716 16:50:26 382.934433 4.5690 BFGS: 717 16:50:26 382.278331 4.5601 BFGS: 718 16:50:26 381.623543 4.5512 BFGS: 719 16:50:26 380.970069 4.5424 BFGS: 720 16:50:26 380.317909 4.5335 BFGS: 721 16:50:26 379.667063 4.5247 BFGS: 722 16:50:27 379.017531 4.5158 BFGS: 723 16:50:27 378.369314 4.5070 BFGS: 724 16:50:27 377.722410 4.4982 BFGS: 725 16:50:27 377.076820 4.4894 BFGS: 726 16:50:27 376.432546 4.4806 BFGS: 727 16:50:27 375.789585 4.4719 BFGS: 728 16:50:27 375.147940 4.4631 BFGS: 729 16:50:27 374.507610 4.4544 BFGS: 730 16:50:27 373.868550 4.4457 BFGS: 731 16:50:27 373.230629 4.4370 BFGS: 732 16:50:27 372.593842 4.4283 BFGS: 733 16:50:27 371.958189 4.4196 BFGS: 734 16:50:27 371.323673 4.4110 BFGS: 735 16:50:27 370.690294 4.4023 BFGS: 736 16:50:27 370.058037 4.3938 BFGS: 737 16:50:27 369.426908 4.3852 BFGS: 738 16:50:27 368.796894 4.3766 BFGS: 739 16:50:27 368.167901 4.3681 BFGS: 740 16:50:27 367.539891 4.3596 BFGS: 741 16:50:27 366.912866 4.3511 BFGS: 742 16:50:27 366.286828 4.3426 BFGS: 743 16:50:27 365.661773 4.3341 BFGS: 744 16:50:28 365.037704 4.3256 BFGS: 745 16:50:28 364.414621 4.3172 BFGS: 746 16:50:28 363.792519 4.3089 BFGS: 747 16:50:28 363.171417 4.3007 BFGS: 748 16:50:28 362.551332 4.2926 BFGS: 749 16:50:28 361.932260 4.2847 BFGS: 750 16:50:28 361.314223 4.2768 BFGS: 751 16:50:28 360.697222 4.2689 BFGS: 752 16:50:28 360.081257 4.2610 BFGS: 753 16:50:28 359.466330 4.2531 BFGS: 754 16:50:28 358.852440 4.2452 BFGS: 755 16:50:28 358.239589 4.2374 BFGS: 756 16:50:28 357.627778 4.2295 BFGS: 757 16:50:28 357.017006 4.2217 BFGS: 758 16:50:28 356.407275 4.2138 BFGS: 759 16:50:28 355.798585 4.2060 BFGS: 760 16:50:28 355.190934 4.1982 BFGS: 761 16:50:28 354.584274 4.1904 BFGS: 762 16:50:28 353.978576 4.1827 BFGS: 763 16:50:28 353.373828 4.1750 BFGS: 764 16:50:28 352.770033 4.1673 BFGS: 765 16:50:29 352.167191 4.1596 BFGS: 766 16:50:29 351.565305 4.1519 BFGS: 767 16:50:29 350.964376 4.1442 BFGS: 768 16:50:29 350.364405 4.1366 BFGS: 769 16:50:29 349.765394 4.1289 BFGS: 770 16:50:29 349.167345 4.1213 BFGS: 771 16:50:29 348.570259 4.1136 BFGS: 772 16:50:29 347.974137 4.1060 BFGS: 773 16:50:29 347.378982 4.0984 BFGS: 774 16:50:29 346.784795 4.0908 BFGS: 775 16:50:29 346.191562 4.0834 BFGS: 776 16:50:29 345.599227 4.0760 BFGS: 777 16:50:29 345.007793 4.0686 BFGS: 778 16:50:29 344.417217 4.0614 BFGS: 779 16:50:29 343.827494 4.0542 BFGS: 780 16:50:29 343.238618 4.0471 BFGS: 781 16:50:29 342.650574 4.0400 BFGS: 782 16:50:29 342.063363 4.0330 BFGS: 783 16:50:29 341.476988 4.0259 BFGS: 784 16:50:29 340.891451 4.0188 BFGS: 785 16:50:29 340.306756 4.0118 BFGS: 786 16:50:29 339.722905 4.0047 BFGS: 787 16:50:29 339.139900 3.9977 BFGS: 788 16:50:30 338.557743 3.9908 BFGS: 789 16:50:30 337.976420 3.9840 BFGS: 790 16:50:30 337.395919 3.9773 BFGS: 791 16:50:30 336.816239 3.9706 BFGS: 792 16:50:30 336.237389 3.9639 BFGS: 793 16:50:30 335.659372 3.9572 BFGS: 794 16:50:30 335.082190 3.9505 BFGS: 795 16:50:30 334.505844 3.9438 BFGS: 796 16:50:30 333.930339 3.9371 BFGS: 797 16:50:30 333.355674 3.9305 BFGS: 798 16:50:30 332.781854 3.9238 BFGS: 799 16:50:30 332.208879 3.9171 BFGS: 800 16:50:30 331.636753 3.9105 BFGS: 801 16:50:30 331.065476 3.9039 BFGS: 802 16:50:30 330.495034 3.8972 BFGS: 803 16:50:30 329.925336 3.8906 BFGS: 804 16:50:30 329.356370 3.8840 BFGS: 805 16:50:30 328.788138 3.8774 BFGS: 806 16:50:30 328.220642 3.8708 BFGS: 807 16:50:30 327.653885 3.8642 BFGS: 808 16:50:30 327.087875 3.8576 BFGS: 809 16:50:30 326.522670 3.8511 BFGS: 810 16:50:30 325.958292 3.8448 BFGS: 811 16:50:30 325.394691 3.8385 BFGS: 812 16:50:31 324.831848 3.8322 BFGS: 813 16:50:31 324.269762 3.8259 BFGS: 814 16:50:31 323.708433 3.8197 BFGS: 815 16:50:31 323.147859 3.8134 BFGS: 816 16:50:31 322.588042 3.8072 BFGS: 817 16:50:31 322.028980 3.8009 BFGS: 818 16:50:31 321.470674 3.7947 BFGS: 819 16:50:31 320.913123 3.7884 BFGS: 820 16:50:31 320.356332 3.7822 BFGS: 821 16:50:31 319.800322 3.7760 BFGS: 822 16:50:31 319.245105 3.7698 BFGS: 823 16:50:31 318.690682 3.7637 BFGS: 824 16:50:31 318.137055 3.7576 BFGS: 825 16:50:31 317.584224 3.7516 BFGS: 826 16:50:31 317.032201 3.7456 BFGS: 827 16:50:31 316.480987 3.7396 BFGS: 828 16:50:31 315.930583 3.7337 BFGS: 829 16:50:31 315.380991 3.7277 BFGS: 830 16:50:31 314.832212 3.7218 BFGS: 831 16:50:31 314.284248 3.7158 BFGS: 832 16:50:31 313.737100 3.7099 BFGS: 833 16:50:31 313.190770 3.7039 BFGS: 834 16:50:31 312.645260 3.6980 BFGS: 835 16:50:31 312.100572 3.6921 BFGS: 836 16:50:31 311.556706 3.6862 BFGS: 837 16:50:31 311.013666 3.6803 BFGS: 838 16:50:31 310.471453 3.6744 BFGS: 839 16:50:31 309.930059 3.6686 BFGS: 840 16:50:31 309.389477 3.6628 BFGS: 841 16:50:32 308.849711 3.6571 BFGS: 842 16:50:32 308.310762 3.6513 BFGS: 843 16:50:32 307.772630 3.6456 BFGS: 844 16:50:32 307.235308 3.6399 BFGS: 845 16:50:32 306.698797 3.6341 BFGS: 846 16:50:32 306.163098 3.6284 BFGS: 847 16:50:32 305.628210 3.6227 BFGS: 848 16:50:32 305.094136 3.6170 BFGS: 849 16:50:32 304.560876 3.6113 BFGS: 850 16:50:32 304.028430 3.6056 BFGS: 851 16:50:32 303.496801 3.5999 BFGS: 852 16:50:32 302.965990 3.5943 BFGS: 853 16:50:32 302.435996 3.5886 BFGS: 854 16:50:32 301.906822 3.5829 BFGS: 855 16:50:32 301.378469 3.5773 BFGS: 856 16:50:32 300.850938 3.5716 BFGS: 857 16:50:32 300.324230 3.5660 BFGS: 858 16:50:32 299.798346 3.5603 BFGS: 859 16:50:32 299.273288 3.5547 BFGS: 860 16:50:32 298.749057 3.5491 BFGS: 861 16:50:32 298.225654 3.5435 BFGS: 862 16:50:32 297.703081 3.5379 BFGS: 863 16:50:32 297.181339 3.5323 BFGS: 864 16:50:32 296.660427 3.5268 BFGS: 865 16:50:32 296.140355 3.5213 BFGS: 866 16:50:32 295.621122 3.5158 BFGS: 867 16:50:32 295.102733 3.5103 BFGS: 868 16:50:32 294.585186 3.5048 BFGS: 869 16:50:32 294.068485 3.4994 BFGS: 870 16:50:32 293.552629 3.4939 BFGS: 871 16:50:32 293.037621 3.4884 BFGS: 872 16:50:32 292.523461 3.4830 BFGS: 873 16:50:32 292.010152 3.4776 BFGS: 874 16:50:33 291.497694 3.4721 BFGS: 875 16:50:33 290.986088 3.4667 BFGS: 876 16:50:33 290.475337 3.4613 BFGS: 877 16:50:33 289.965441 3.4558 BFGS: 878 16:50:33 289.456401 3.4504 BFGS: 879 16:50:33 288.948219 3.4450 BFGS: 880 16:50:33 288.440896 3.4396 BFGS: 881 16:50:33 287.934434 3.4342 BFGS: 882 16:50:33 287.428833 3.4288 BFGS: 883 16:50:33 286.924095 3.4234 BFGS: 884 16:50:33 286.420221 3.4181 BFGS: 885 16:50:33 285.917213 3.4127 BFGS: 886 16:50:33 285.415072 3.4073 BFGS: 887 16:50:33 284.913798 3.4019 BFGS: 888 16:50:33 284.413394 3.3966 BFGS: 889 16:50:33 283.913870 3.3913 BFGS: 890 16:50:33 283.415233 3.3861 BFGS: 891 16:50:33 282.917502 3.3809 BFGS: 892 16:50:33 282.420679 3.3757 BFGS: 893 16:50:33 281.924762 3.3705 BFGS: 894 16:50:33 281.429752 3.3653 BFGS: 895 16:50:33 280.935649 3.3601 BFGS: 896 16:50:33 280.442449 3.3550 BFGS: 897 16:50:33 279.950120 3.3500 BFGS: 898 16:50:33 279.458641 3.3450 BFGS: 899 16:50:33 278.968011 3.3400 BFGS: 900 16:50:33 278.478228 3.3349 BFGS: 901 16:50:33 277.989291 3.3299 BFGS: 902 16:50:33 277.501199 3.3249 BFGS: 903 16:50:33 277.013951 3.3199 BFGS: 904 16:50:33 276.527546 3.3149 BFGS: 905 16:50:33 276.041984 3.3099 BFGS: 906 16:50:34 275.557264 3.3050 BFGS: 907 16:50:34 275.073385 3.3000 BFGS: 908 16:50:34 274.590340 3.2950 BFGS: 909 16:50:34 274.108105 3.2900 BFGS: 910 16:50:34 273.626674 3.2850 BFGS: 911 16:50:34 273.146047 3.2800 BFGS: 912 16:50:34 272.666216 3.2751 BFGS: 913 16:50:34 272.187194 3.2701 BFGS: 914 16:50:34 271.708980 3.2651 BFGS: 915 16:50:34 271.231574 3.2602 BFGS: 916 16:50:34 270.754975 3.2552 BFGS: 917 16:50:34 270.279182 3.2503 BFGS: 918 16:50:34 269.804195 3.2453 BFGS: 919 16:50:34 269.330012 3.2404 BFGS: 920 16:50:34 268.856635 3.2355 BFGS: 921 16:50:34 268.384061 3.2305 BFGS: 922 16:50:34 267.912292 3.2256 BFGS: 923 16:50:34 267.441326 3.2207 BFGS: 924 16:50:34 266.971163 3.2157 BFGS: 925 16:50:34 266.501804 3.2108 BFGS: 926 16:50:34 266.033249 3.2059 BFGS: 927 16:50:35 265.565496 3.2010 BFGS: 928 16:50:35 265.098546 3.1960 BFGS: 929 16:50:35 264.632400 3.1911 BFGS: 930 16:50:35 264.167056 3.1863 BFGS: 931 16:50:35 263.702495 3.1815 BFGS: 932 16:50:35 263.238700 3.1767 BFGS: 933 16:50:35 262.775672 3.1719 BFGS: 934 16:50:35 262.313410 3.1671 BFGS: 935 16:50:35 261.851915 3.1624 BFGS: 936 16:50:35 261.391175 3.1576 BFGS: 937 16:50:35 260.931184 3.1529 BFGS: 938 16:50:35 260.471936 3.1482 BFGS: 939 16:50:35 260.013435 3.1436 BFGS: 940 16:50:35 259.555679 3.1390 BFGS: 941 16:50:35 259.098670 3.1344 BFGS: 942 16:50:35 258.642405 3.1298 BFGS: 943 16:50:35 258.186884 3.1252 BFGS: 944 16:50:35 257.732107 3.1206 BFGS: 945 16:50:35 257.278074 3.1160 BFGS: 946 16:50:36 256.824785 3.1114 BFGS: 947 16:50:36 256.372238 3.1068 BFGS: 948 16:50:36 255.920434 3.1022 BFGS: 949 16:50:36 255.469372 3.0976 BFGS: 950 16:50:36 255.019053 3.0930 BFGS: 951 16:50:36 254.569476 3.0884 BFGS: 952 16:50:36 254.120641 3.0838 BFGS: 953 16:50:36 253.672548 3.0793 BFGS: 954 16:50:36 253.225197 3.0747 BFGS: 955 16:50:36 252.778587 3.0701 BFGS: 956 16:50:36 252.332719 3.0655 BFGS: 957 16:50:36 251.887593 3.0610 BFGS: 958 16:50:36 251.443208 3.0564 BFGS: 959 16:50:36 250.999564 3.0518 BFGS: 960 16:50:36 250.556662 3.0473 BFGS: 961 16:50:36 250.114500 3.0427 BFGS: 962 16:50:36 249.673080 3.0382 BFGS: 963 16:50:37 249.232402 3.0336 BFGS: 964 16:50:37 248.792464 3.0291 BFGS: 965 16:50:37 248.353267 3.0245 BFGS: 966 16:50:37 247.914812 3.0200 BFGS: 967 16:50:37 247.477097 3.0154 BFGS: 968 16:50:37 247.040123 3.0109 BFGS: 969 16:50:37 246.603890 3.0063 BFGS: 970 16:50:37 246.168398 3.0018 BFGS: 971 16:50:37 245.733646 2.9973 BFGS: 972 16:50:37 245.299635 2.9927 BFGS: 973 16:50:37 244.866365 2.9882 BFGS: 974 16:50:37 244.433835 2.9837 BFGS: 975 16:50:37 244.002046 2.9792 BFGS: 976 16:50:37 243.570997 2.9747 BFGS: 977 16:50:37 243.140688 2.9701 BFGS: 978 16:50:37 242.711120 2.9656 BFGS: 979 16:50:37 242.282291 2.9611 BFGS: 980 16:50:38 241.854203 2.9566 BFGS: 981 16:50:38 241.426854 2.9521 BFGS: 982 16:50:38 241.000245 2.9476 BFGS: 983 16:50:38 240.574362 2.9433 BFGS: 984 16:50:38 240.149217 2.9389 BFGS: 985 16:50:38 239.724810 2.9346 BFGS: 986 16:50:38 239.301138 2.9302 BFGS: 987 16:50:38 238.878202 2.9258 BFGS: 988 16:50:38 238.456001 2.9215 BFGS: 989 16:50:38 238.034534 2.9172 BFGS: 990 16:50:38 237.613801 2.9128 BFGS: 991 16:50:38 237.193801 2.9085 BFGS: 992 16:50:38 236.774534 2.9041 BFGS: 993 16:50:38 236.355998 2.8998 BFGS: 994 16:50:38 235.938193 2.8955 BFGS: 995 16:50:38 235.521120 2.8912 BFGS: 996 16:50:38 235.104776 2.8869 BFGS: 997 16:50:38 234.689162 2.8825 BFGS: 998 16:50:38 234.274277 2.8782 BFGS: 999 16:50:38 233.860121 2.8739 BFGS: 1000 16:50:38 233.446693 2.8696 BFGS: 1001 16:50:39 233.033993 2.8653 BFGS: 1002 16:50:39 232.622019 2.8610 BFGS: 1003 16:50:39 232.210772 2.8567 BFGS: 1004 16:50:39 231.800251 2.8524 BFGS: 1005 16:50:39 231.390455 2.8481 BFGS: 1006 16:50:39 230.981385 2.8438 BFGS: 1007 16:50:39 230.573039 2.8396 BFGS: 1008 16:50:39 230.165416 2.8353 BFGS: 1009 16:50:39 229.758517 2.8310 BFGS: 1010 16:50:39 229.352341 2.8267 BFGS: 1011 16:50:39 228.946886 2.8225 BFGS: 1012 16:50:39 228.542151 2.8182 BFGS: 1013 16:50:39 228.138136 2.8140 BFGS: 1014 16:50:39 227.734841 2.8098 BFGS: 1015 16:50:39 227.332264 2.8055 BFGS: 1016 16:50:39 226.930405 2.8013 BFGS: 1017 16:50:39 226.529263 2.7971 BFGS: 1018 16:50:39 226.128839 2.7928 BFGS: 1019 16:50:39 225.729131 2.7886 BFGS: 1020 16:50:39 225.330139 2.7844 BFGS: 1021 16:50:39 224.931863 2.7802 BFGS: 1022 16:50:39 224.534301 2.7760 BFGS: 1023 16:50:39 224.137454 2.7718 BFGS: 1024 16:50:39 223.741320 2.7676 BFGS: 1025 16:50:39 223.345899 2.7634 BFGS: 1026 16:50:39 222.951192 2.7592 BFGS: 1027 16:50:39 222.557196 2.7550 BFGS: 1028 16:50:39 222.163912 2.7508 BFGS: 1029 16:50:40 221.771339 2.7466 BFGS: 1030 16:50:40 221.379476 2.7424 BFGS: 1031 16:50:40 220.988323 2.7382 BFGS: 1032 16:50:40 220.597879 2.7341 BFGS: 1033 16:50:40 220.208145 2.7299 BFGS: 1034 16:50:40 219.819118 2.7257 BFGS: 1035 16:50:40 219.430800 2.7216 BFGS: 1036 16:50:40 219.043188 2.7174 BFGS: 1037 16:50:40 218.656283 2.7132 BFGS: 1038 16:50:40 218.270084 2.7091 BFGS: 1039 16:50:40 217.884590 2.7049 BFGS: 1040 16:50:40 217.499801 2.7008 BFGS: 1041 16:50:40 217.115717 2.6966 BFGS: 1042 16:50:40 216.732336 2.6925 BFGS: 1043 16:50:40 216.349659 2.6883 BFGS: 1044 16:50:40 215.967684 2.6842 BFGS: 1045 16:50:40 215.586411 2.6801 BFGS: 1046 16:50:40 215.205839 2.6759 BFGS: 1047 16:50:40 214.825969 2.6718 BFGS: 1048 16:50:40 214.446785 2.6679 BFGS: 1049 16:50:40 214.068276 2.6640 BFGS: 1050 16:50:40 213.690433 2.6601 BFGS: 1051 16:50:40 213.313254 2.6563 BFGS: 1052 16:50:40 212.936727 2.6524 BFGS: 1053 16:50:40 212.560848 2.6486 BFGS: 1054 16:50:40 212.185618 2.6448 BFGS: 1055 16:50:40 211.811036 2.6409 BFGS: 1056 16:50:41 211.437101 2.6371 BFGS: 1057 16:50:41 211.063814 2.6333 BFGS: 1058 16:50:41 210.691175 2.6295 BFGS: 1059 16:50:41 210.319182 2.6257 BFGS: 1060 16:50:41 209.947836 2.6218 BFGS: 1061 16:50:41 209.577137 2.6180 BFGS: 1062 16:50:41 209.207084 2.6142 BFGS: 1063 16:50:41 208.837677 2.6104 BFGS: 1064 16:50:41 208.468916 2.6066 BFGS: 1065 16:50:41 208.100800 2.6028 BFGS: 1066 16:50:41 207.733329 2.5990 BFGS: 1067 16:50:41 207.366503 2.5952 BFGS: 1068 16:50:41 207.000323 2.5915 BFGS: 1069 16:50:41 206.634786 2.5877 BFGS: 1070 16:50:41 206.269894 2.5839 BFGS: 1071 16:50:41 205.905646 2.5801 BFGS: 1072 16:50:41 205.542042 2.5763 BFGS: 1073 16:50:41 205.179081 2.5725 BFGS: 1074 16:50:41 204.816763 2.5688 BFGS: 1075 16:50:41 204.455088 2.5650 BFGS: 1076 16:50:41 204.094056 2.5612 BFGS: 1077 16:50:41 203.733666 2.5575 BFGS: 1078 16:50:41 203.373918 2.5537 BFGS: 1079 16:50:41 203.014811 2.5499 BFGS: 1080 16:50:42 202.656346 2.5462 BFGS: 1081 16:50:42 202.298515 2.5424 BFGS: 1082 16:50:42 201.941285 2.5387 BFGS: 1083 16:50:42 201.584653 2.5349 BFGS: 1084 16:50:42 201.228621 2.5312 BFGS: 1085 16:50:42 200.873187 2.5274 BFGS: 1086 16:50:42 200.518353 2.5237 BFGS: 1087 16:50:42 200.164119 2.5200 BFGS: 1088 16:50:42 199.810484 2.5162 BFGS: 1089 16:50:42 199.457448 2.5125 BFGS: 1090 16:50:42 199.105013 2.5088 BFGS: 1091 16:50:42 198.753178 2.5051 BFGS: 1092 16:50:42 198.401943 2.5013 BFGS: 1093 16:50:42 198.051308 2.4976 BFGS: 1094 16:50:42 197.701274 2.4939 BFGS: 1095 16:50:42 197.351840 2.4902 BFGS: 1096 16:50:42 197.003006 2.4865 BFGS: 1097 16:50:42 196.654769 2.4828 BFGS: 1098 16:50:42 196.307096 2.4791 BFGS: 1099 16:50:42 195.959976 2.4754 BFGS: 1100 16:50:42 195.613411 2.4717 BFGS: 1101 16:50:42 195.267402 2.4680 BFGS: 1102 16:50:42 194.921948 2.4643 BFGS: 1103 16:50:42 194.577051 2.4606 BFGS: 1104 16:50:42 194.232706 2.4570 BFGS: 1105 16:50:42 193.888917 2.4533 BFGS: 1106 16:50:42 193.545683 2.4497 BFGS: 1107 16:50:42 193.203002 2.4461 BFGS: 1108 16:50:42 192.860831 2.4425 BFGS: 1109 16:50:43 192.519142 2.4389 BFGS: 1110 16:50:43 192.177937 2.4353 BFGS: 1111 16:50:43 191.837216 2.4317 BFGS: 1112 16:50:43 191.496980 2.4281 BFGS: 1113 16:50:43 191.157231 2.4245 BFGS: 1114 16:50:43 190.817963 2.4210 BFGS: 1115 16:50:43 190.479171 2.4175 BFGS: 1116 16:50:43 190.140862 2.4140 BFGS: 1117 16:50:43 189.803036 2.4105 BFGS: 1118 16:50:43 189.465691 2.4070 BFGS: 1119 16:50:43 189.128829 2.4035 BFGS: 1120 16:50:43 188.792449 2.4001 BFGS: 1121 16:50:43 188.456552 2.3966 BFGS: 1122 16:50:43 188.121129 2.3933 BFGS: 1123 16:50:43 187.786176 2.3899 BFGS: 1124 16:50:43 187.451692 2.3866 BFGS: 1125 16:50:43 187.117677 2.3833 BFGS: 1126 16:50:43 186.784130 2.3800 BFGS: 1127 16:50:43 186.451050 2.3767 BFGS: 1128 16:50:43 186.118437 2.3734 BFGS: 1129 16:50:43 185.786290 2.3701 BFGS: 1130 16:50:43 185.454608 2.3669 BFGS: 1131 16:50:43 185.123392 2.3636 BFGS: 1132 16:50:43 184.792641 2.3603 BFGS: 1133 16:50:43 184.462355 2.3570 BFGS: 1134 16:50:43 184.132533 2.3537 BFGS: 1135 16:50:43 183.803175 2.3504 BFGS: 1136 16:50:43 183.474281 2.3472 BFGS: 1137 16:50:43 183.145851 2.3439 BFGS: 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2020 16:51:19 25.438149 0.5469 BFGS: 2021 16:51:19 25.360651 0.5458 BFGS: 2022 16:51:19 25.283306 0.5447 BFGS: 2023 16:51:19 25.206114 0.5437 BFGS: 2024 16:51:19 25.129076 0.5426 BFGS: 2025 16:51:19 25.052189 0.5415 BFGS: 2026 16:51:19 24.975454 0.5405 BFGS: 2027 16:51:19 24.898871 0.5394 BFGS: 2028 16:51:19 24.822441 0.5383 BFGS: 2029 16:51:19 24.746161 0.5372 BFGS: 2030 16:51:19 24.670034 0.5362 BFGS: 2031 16:51:19 24.594058 0.5351 BFGS: 2032 16:51:19 24.518233 0.5340 BFGS: 2033 16:51:19 24.442560 0.5330 BFGS: 2034 16:51:19 24.367037 0.5319 BFGS: 2035 16:51:19 24.291666 0.5308 BFGS: 2036 16:51:19 24.216446 0.5298 BFGS: 2037 16:51:19 24.141377 0.5287 BFGS: 2038 16:51:19 24.066459 0.5276 BFGS: 2039 16:51:19 23.991692 0.5266 BFGS: 2040 16:51:19 23.917075 0.5255 BFGS: 2041 16:51:19 23.842609 0.5245 BFGS: 2042 16:51:20 23.768293 0.5234 BFGS: 2043 16:51:20 23.694128 0.5223 BFGS: 2044 16:51:20 23.620113 0.5213 BFGS: 2045 16:51:20 23.546249 0.5202 BFGS: 2046 16:51:20 23.472534 0.5192 BFGS: 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6.660810 0.2333 BFGS: 2374 16:51:30 6.629289 0.2326 BFGS: 2375 16:51:30 6.597880 0.2320 BFGS: 2376 16:51:30 6.566580 0.2313 BFGS: 2377 16:51:30 6.535391 0.2306 BFGS: 2378 16:51:30 6.504313 0.2299 BFGS: 2379 16:51:30 6.473345 0.2292 BFGS: 2380 16:51:30 6.442487 0.2285 BFGS: 2381 16:51:30 6.411739 0.2279 BFGS: 2382 16:51:31 6.381101 0.2272 BFGS: 2383 16:51:31 6.350573 0.2265 BFGS: 2384 16:51:31 6.320155 0.2258 BFGS: 2385 16:51:31 6.289846 0.2252 BFGS: 2386 16:51:31 6.259647 0.2245 BFGS: 2387 16:51:31 6.229557 0.2238 BFGS: 2388 16:51:31 6.199576 0.2231 BFGS: 2389 16:51:31 6.169705 0.2225 BFGS: 2390 16:51:31 6.139943 0.2218 BFGS: 2391 16:51:31 6.110289 0.2211 BFGS: 2392 16:51:31 6.080745 0.2205 BFGS: 2393 16:51:31 6.051309 0.2198 BFGS: 2394 16:51:31 6.021982 0.2191 BFGS: 2395 16:51:31 5.992763 0.2185 BFGS: 2396 16:51:31 5.963653 0.2178 BFGS: 2397 16:51:31 5.934651 0.2171 BFGS: 2398 16:51:31 5.905757 0.2165 BFGS: 2399 16:51:31 5.876971 0.2158 BFGS: 2400 16:51:31 5.848292 0.2151 BFGS: 2401 16:51:31 5.819722 0.2145 BFGS: 2402 16:51:31 5.791259 0.2138 BFGS: 2403 16:51:31 5.762904 0.2132 BFGS: 2404 16:51:31 5.734656 0.2125 BFGS: 2405 16:51:31 5.706515 0.2118 BFGS: 2406 16:51:31 5.678482 0.2112 BFGS: 2407 16:51:31 5.650556 0.2105 BFGS: 2408 16:51:31 5.622736 0.2099 BFGS: 2409 16:51:31 5.595023 0.2092 BFGS: 2410 16:51:31 5.567417 0.2086 BFGS: 2411 16:51:31 5.539917 0.2079 BFGS: 2412 16:51:31 5.512524 0.2073 BFGS: 2413 16:51:31 5.485237 0.2066 BFGS: 2414 16:51:32 5.458056 0.2060 BFGS: 2415 16:51:32 5.430981 0.2053 BFGS: 2416 16:51:32 5.404012 0.2047 BFGS: 2417 16:51:32 5.377148 0.2040 BFGS: 2418 16:51:32 5.350391 0.2034 BFGS: 2419 16:51:32 5.323738 0.2027 BFGS: 2420 16:51:32 5.297191 0.2021 BFGS: 2421 16:51:32 5.270749 0.2014 BFGS: 2422 16:51:32 5.244413 0.2008 BFGS: 2423 16:51:32 5.218181 0.2001 BFGS: 2424 16:51:32 5.192054 0.1995 BFGS: 2425 16:51:32 5.166031 0.1988 BFGS: 2426 16:51:32 5.140113 0.1982 BFGS: 2427 16:51:32 5.114299 0.1976 BFGS: 2428 16:51:32 5.088590 0.1969 BFGS: 2429 16:51:32 5.062985 0.1963 BFGS: 2430 16:51:32 5.037483 0.1956 BFGS: 2431 16:51:32 5.012086 0.1950 BFGS: 2432 16:51:32 4.986792 0.1944 BFGS: 2433 16:51:32 4.961602 0.1937 BFGS: 2434 16:51:32 4.936515 0.1931 BFGS: 2435 16:51:32 4.911531 0.1925 BFGS: 2436 16:51:32 4.886650 0.1918 BFGS: 2437 16:51:32 4.861873 0.1912 BFGS: 2438 16:51:32 4.837198 0.1906 BFGS: 2439 16:51:32 4.812626 0.1899 BFGS: 2440 16:51:32 4.788156 0.1893 BFGS: 2441 16:51:32 4.763789 0.1887 BFGS: 2442 16:51:32 4.739524 0.1881 BFGS: 2443 16:51:32 4.715361 0.1874 BFGS: 2444 16:51:32 4.691299 0.1868 BFGS: 2445 16:51:32 4.667340 0.1862 BFGS: 2446 16:51:32 4.643483 0.1855 BFGS: 2447 16:51:32 4.619726 0.1849 BFGS: 2448 16:51:33 4.596072 0.1843 BFGS: 2449 16:51:33 4.572518 0.1837 BFGS: 2450 16:51:33 4.549065 0.1831 BFGS: 2451 16:51:33 4.525714 0.1824 BFGS: 2452 16:51:33 4.502463 0.1818 BFGS: 2453 16:51:33 4.479312 0.1812 BFGS: 2454 16:51:33 4.456262 0.1806 BFGS: 2455 16:51:33 4.433313 0.1800 BFGS: 2456 16:51:33 4.410463 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3.809897 0.1623 BFGS: 2485 16:51:34 3.789799 0.1618 BFGS: 2486 16:51:34 3.769792 0.1612 BFGS: 2487 16:51:34 3.749877 0.1606 BFGS: 2488 16:51:34 3.730051 0.1600 BFGS: 2489 16:51:34 3.710316 0.1594 BFGS: 2490 16:51:34 3.690670 0.1588 BFGS: 2491 16:51:34 3.671115 0.1582 BFGS: 2492 16:51:34 3.651649 0.1576 BFGS: 2493 16:51:34 3.632272 0.1570 BFGS: 2494 16:51:34 3.612985 0.1564 BFGS: 2495 16:51:34 3.593787 0.1558 BFGS: 2496 16:51:34 3.574677 0.1552 BFGS: 2497 16:51:34 3.555657 0.1547 BFGS: 2498 16:51:34 3.536724 0.1541 BFGS: 2499 16:51:34 3.517879 0.1535 BFGS: 2500 16:51:34 3.499119 0.1530 BFGS: 2501 16:51:34 3.480446 0.1524 BFGS: 2502 16:51:34 3.461858 0.1519 BFGS: 2503 16:51:34 3.443355 0.1513 BFGS: 2504 16:51:34 3.424938 0.1507 BFGS: 2505 16:51:34 3.406605 0.1502 BFGS: 2506 16:51:34 3.388357 0.1496 BFGS: 2507 16:51:34 3.370192 0.1491 BFGS: 2508 16:51:34 3.352106 0.1485 BFGS: 2509 16:51:34 3.334100 0.1480 BFGS: 2510 16:51:34 3.316174 0.1475 BFGS: 2511 16:51:34 3.298327 0.1469 BFGS: 2512 16:51:34 3.280559 0.1464 BFGS: 2513 16:51:34 3.262871 0.1458 BFGS: 2514 16:51:34 3.245261 0.1453 BFGS: 2515 16:51:34 3.227729 0.1447 BFGS: 2516 16:51:34 3.210277 0.1442 BFGS: 2517 16:51:34 3.192902 0.1436 BFGS: 2518 16:51:34 3.175605 0.1431 BFGS: 2519 16:51:34 3.158386 0.1426 BFGS: 2520 16:51:35 3.141245 0.1420 BFGS: 2521 16:51:35 3.124181 0.1415 BFGS: 2522 16:51:35 3.107194 0.1409 BFGS: 2523 16:51:35 3.090284 0.1404 BFGS: 2524 16:51:35 3.073451 0.1399 BFGS: 2525 16:51:35 3.056691 0.1394 BFGS: 2526 16:51:35 3.040006 0.1389 BFGS: 2527 16:51:35 3.023395 0.1384 BFGS: 2528 16:51:35 3.006857 0.1379 BFGS: 2529 16:51:35 2.990394 0.1374 BFGS: 2530 16:51:35 2.974004 0.1369 BFGS: 2531 16:51:35 2.957687 0.1365 BFGS: 2532 16:51:35 2.941444 0.1360 BFGS: 2533 16:51:35 2.925274 0.1355 BFGS: 2534 16:51:35 2.909178 0.1350 BFGS: 2535 16:51:35 2.893154 0.1345 BFGS: 2536 16:51:35 2.877203 0.1340 BFGS: 2537 16:51:35 2.861324 0.1336 BFGS: 2538 16:51:35 2.845518 0.1331 BFGS: 2539 16:51:35 2.829783 0.1326 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0.257203 0.0484 BFGS: 2929 16:51:46 0.255180 0.0483 BFGS: 2930 16:51:46 0.253163 0.0482 BFGS: 2931 16:51:46 0.251154 0.0482 BFGS: 2932 16:51:47 0.249152 0.0481 BFGS: 2933 16:51:47 0.247156 0.0480 BFGS: 2934 16:51:47 0.245168 0.0479 BFGS: 2935 16:51:47 0.243187 0.0478 BFGS: 2936 16:51:47 0.241213 0.0477 BFGS: 2937 16:51:47 0.239246 0.0476 BFGS: 2938 16:51:47 0.237286 0.0475 BFGS: 2939 16:51:47 0.235334 0.0474 BFGS: 2940 16:51:47 0.233388 0.0473 BFGS: 2941 16:51:47 0.231450 0.0472 BFGS: 2942 16:51:47 0.229518 0.0470 BFGS: 2943 16:51:47 0.227594 0.0469 BFGS: 2944 16:51:47 0.225677 0.0468 BFGS: 2945 16:51:47 0.223767 0.0467 BFGS: 2946 16:51:47 0.221864 0.0466 BFGS: 2947 16:51:47 0.219968 0.0465 BFGS: 2948 16:51:47 0.218079 0.0464 BFGS: 2949 16:51:47 0.216198 0.0463 BFGS: 2950 16:51:47 0.214323 0.0462 BFGS: 2951 16:51:47 0.212456 0.0460 BFGS: 2952 16:51:47 0.210596 0.0459 BFGS: 2953 16:51:47 0.208744 0.0458 BFGS: 2954 16:51:47 0.206898 0.0457 BFGS: 2955 16:51:47 0.205060 0.0456 BFGS: 2956 16:51:47 0.203229 0.0455 BFGS: 2957 16:51:47 0.201405 0.0453 BFGS: 2958 16:51:47 0.199588 0.0452 BFGS: 2959 16:51:47 0.197779 0.0451 BFGS: 2960 16:51:47 0.195977 0.0450 BFGS: 2961 16:51:47 0.194182 0.0448 BFGS: 2962 16:51:47 0.192395 0.0447 BFGS: 2963 16:51:47 0.190614 0.0446 BFGS: 2964 16:51:47 0.188842 0.0445 BFGS: 2965 16:51:47 0.187076 0.0443 BFGS: 2966 16:51:47 0.185318 0.0442 BFGS: 2967 16:51:47 0.183567 0.0441 BFGS: 2968 16:51:48 0.181823 0.0439 BFGS: 2969 16:51:48 0.180087 0.0438 BFGS: 2970 16:51:48 0.178358 0.0437 BFGS: 2971 16:51:48 0.176637 0.0435 BFGS: 2972 16:51:48 0.174923 0.0434 BFGS: 2973 16:51:48 0.173217 0.0432 BFGS: 2974 16:51:48 0.171517 0.0431 BFGS: 2975 16:51:48 0.169826 0.0430 BFGS: 2976 16:51:48 0.168142 0.0428 BFGS: 2977 16:51:48 0.166465 0.0427 BFGS: 2978 16:51:48 0.164796 0.0425 BFGS: 2979 16:51:48 0.163134 0.0424 BFGS: 2980 16:51:48 0.161480 0.0422 BFGS: 2981 16:51:48 0.159833 0.0421 BFGS: 2982 16:51:48 0.158194 0.0419 BFGS: 2983 16:51:48 0.156562 0.0418 BFGS: 2984 16:51:48 0.154938 0.0417 BFGS: 2985 16:51:48 0.153322 0.0415 BFGS: 2986 16:51:48 0.151713 0.0413 BFGS: 2987 16:51:48 0.150111 0.0412 BFGS: 2988 16:51:48 0.148518 0.0410 BFGS: 2989 16:51:48 0.146932 0.0409 BFGS: 2990 16:51:48 0.145353 0.0407 BFGS: 2991 16:51:48 0.143783 0.0406 BFGS: 2992 16:51:48 0.142220 0.0404 BFGS: 2993 16:51:48 0.140664 0.0403 BFGS: 2994 16:51:48 0.139117 0.0401 BFGS: 2995 16:51:48 0.137577 0.0399 BFGS: 2996 16:51:48 0.136045 0.0398 BFGS: 2997 16:51:48 0.134520 0.0396 BFGS: 2998 16:51:48 0.133004 0.0394 BFGS: 2999 16:51:48 0.131495 0.0393 BFGS: 3000 16:51:48 0.129994 0.0391 BFGS: 3001 16:51:48 0.128501 0.0389 BFGS: 3002 16:51:48 0.127015 0.0388 BFGS: 3003 16:51:48 0.125538 0.0386 BFGS: 3004 16:51:49 0.124068 0.0384 BFGS: 3005 16:51:49 0.122606 0.0383 BFGS: 3006 16:51:49 0.121152 0.0381 BFGS: 3007 16:51:49 0.119706 0.0379 BFGS: 3008 16:51:49 0.118268 0.0378 BFGS: 3009 16:51:49 0.116838 0.0376 BFGS: 3010 16:51:49 0.115416 0.0374 BFGS: 3011 16:51:49 0.114002 0.0372 BFGS: 3012 16:51:49 0.112595 0.0370 BFGS: 3013 16:51:49 0.111197 0.0369 BFGS: 3014 16:51:49 0.109807 0.0367 BFGS: 3015 16:51:49 0.108424 0.0365 BFGS: 3016 16:51:49 0.107050 0.0363 BFGS: 3017 16:51:49 0.105684 0.0361 BFGS: 3018 16:51:49 0.104326 0.0360 BFGS: 3019 16:51:49 0.102976 0.0358 BFGS: 3020 16:51:49 0.101634 0.0356 BFGS: 3021 16:51:49 0.100300 0.0354 BFGS: 3022 16:51:49 0.098975 0.0352 BFGS: 3023 16:51:49 0.097657 0.0350 BFGS: 3024 16:51:49 0.096348 0.0348 BFGS: 3025 16:51:49 0.095046 0.0347 BFGS: 3026 16:51:49 0.093753 0.0345 BFGS: 3027 16:51:49 0.092469 0.0343 BFGS: 3028 16:51:49 0.091192 0.0341 BFGS: 3029 16:51:49 0.089924 0.0339 BFGS: 3030 16:51:49 0.088664 0.0337 BFGS: 3031 16:51:49 0.087412 0.0335 BFGS: 3032 16:51:49 0.086168 0.0333 BFGS: 3033 16:51:49 0.084933 0.0331 BFGS: 3034 16:51:49 0.083706 0.0329 BFGS: 3035 16:51:49 0.082487 0.0327 BFGS: 3036 16:51:49 0.081277 0.0325 BFGS: 3037 16:51:49 0.080075 0.0323 BFGS: 3038 16:51:49 0.078882 0.0321 BFGS: 3039 16:51:50 0.077697 0.0319 BFGS: 3040 16:51:50 0.076520 0.0317 BFGS: 3041 16:51:50 0.075352 0.0315 BFGS: 3042 16:51:50 0.074192 0.0313 BFGS: 3043 16:51:50 0.073040 0.0311 BFGS: 3044 16:51:50 0.071897 0.0309 BFGS: 3045 16:51:50 0.070763 0.0307 BFGS: 3046 16:51:50 0.069637 0.0305 BFGS: 3047 16:51:50 0.068519 0.0302 BFGS: 3048 16:51:50 0.067410 0.0300 BFGS: 3049 16:51:50 0.066310 0.0298 BFGS: 3050 16:51:50 0.065218 0.0296 BFGS: 3051 16:51:50 0.064134 0.0294 BFGS: 3052 16:51:50 0.063059 0.0292 BFGS: 3053 16:51:50 0.061993 0.0290 BFGS: 3054 16:51:50 0.060936 0.0288 BFGS: 3055 16:51:50 0.059887 0.0285 BFGS: 3056 16:51:50 0.058846 0.0283 BFGS: 3057 16:51:50 0.057815 0.0281 BFGS: 3058 16:51:50 0.056792 0.0279 BFGS: 3059 16:51:50 0.055777 0.0277 BFGS: 3060 16:51:50 0.054771 0.0274 BFGS: 3061 16:51:50 0.053775 0.0272 BFGS: 3062 16:51:50 0.052786 0.0270 BFGS: 3063 16:51:50 0.051807 0.0268 BFGS: 3064 16:51:50 0.050836 0.0266 BFGS: 3065 16:51:50 0.049874 0.0263 BFGS: 3066 16:51:50 0.048921 0.0261 BFGS: 3067 16:51:50 0.047976 0.0259 BFGS: 3068 16:51:50 0.047041 0.0257 BFGS: 3069 16:51:50 0.046114 0.0254 BFGS: 3070 16:51:50 0.045196 0.0252 BFGS: 3071 16:51:50 0.044287 0.0250 BFGS: 3072 16:51:50 0.043386 0.0247 BFGS: 3073 16:51:50 0.042495 0.0245 BFGS: 3074 16:51:50 0.041612 0.0243 BFGS: 3075 16:51:51 0.040739 0.0240 BFGS: 3076 16:51:51 0.039874 0.0238 BFGS: 3077 16:51:51 0.039018 0.0236 BFGS: 3078 16:51:51 0.038171 0.0233 BFGS: 3079 16:51:51 0.037333 0.0231 BFGS: 3080 16:51:51 0.036504 0.0228 BFGS: 3081 16:51:51 0.035685 0.0226 BFGS: 3082 16:51:51 0.034874 0.0223 BFGS: 3083 16:51:51 0.034072 0.0221 BFGS: 3084 16:51:51 0.033279 0.0219 BFGS: 3085 16:51:51 0.032495 0.0216 BFGS: 3086 16:51:51 0.031721 0.0214 BFGS: 3087 16:51:51 0.030955 0.0211 BFGS: 3088 16:51:51 0.030199 0.0209 BFGS: 3089 16:51:51 0.029451 0.0206 BFGS: 3090 16:51:51 0.028713 0.0204 BFGS: 3091 16:51:51 0.027984 0.0201 BFGS: 3092 16:51:51 0.027264 0.0199 BFGS: 3093 16:51:51 0.026553 0.0196 BFGS: 3094 16:51:51 0.025851 0.0194 BFGS: 3095 16:51:51 0.025159 0.0191 BFGS: 3096 16:51:51 0.024475 0.0188 BFGS: 3097 16:51:51 0.023801 0.0186 BFGS: 3098 16:51:51 0.023136 0.0183 BFGS: 3099 16:51:51 0.022480 0.0181 BFGS: 3100 16:51:51 0.021834 0.0178 BFGS: 3101 16:51:51 0.021196 0.0176 BFGS: 3102 16:51:51 0.020568 0.0173 BFGS: 3103 16:51:51 0.019949 0.0171 BFGS: 3104 16:51:51 0.019340 0.0168 BFGS: 3105 16:51:51 0.018739 0.0165 BFGS: 3106 16:51:51 0.018148 0.0163 BFGS: 3107 16:51:51 0.017567 0.0160 BFGS: 3108 16:51:51 0.016994 0.0158 BFGS: 3109 16:51:51 0.016431 0.0155 BFGS: 3110 16:51:52 0.015877 0.0153 BFGS: 3111 16:51:52 0.015333 0.0150 BFGS: 3112 16:51:52 0.014797 0.0147 BFGS: 3113 16:51:52 0.014272 0.0145 BFGS: 3114 16:51:52 0.013755 0.0142 BFGS: 3115 16:51:52 0.013248 0.0139 BFGS: 3116 16:51:52 0.012750 0.0137 BFGS: 3117 16:51:52 0.012262 0.0134 BFGS: 3118 16:51:52 0.011783 0.0132 BFGS: 3119 16:51:52 0.011313 0.0129 BFGS: 3120 16:51:52 0.010853 0.0126 BFGS: 3121 16:51:52 0.010403 0.0124 BFGS: 3122 16:51:52 0.009961 0.0121 BFGS: 3123 16:51:52 0.009530 0.0118 BFGS: 3124 16:51:52 0.009107 0.0116 BFGS: 3125 16:51:52 0.008694 0.0113 BFGS: 3126 16:51:52 0.008291 0.0110 BFGS: 3127 16:51:52 0.007897 0.0108 BFGS: 3128 16:51:52 0.007512 0.0105 BFGS: 3129 16:51:52 0.007137 0.0102 BFGS: 3130 16:51:52 0.006772 0.0100 BFGS: 3131 16:51:52 0.006416 0.0097 BFGS: 3132 16:51:52 0.006069 0.0094 BFGS: 3133 16:51:52 0.005733 0.0092 BFGS: 3134 16:51:52 0.005405 0.0089 BFGS: 3135 16:51:52 0.005087 0.0086 BFGS: 3136 16:51:52 0.004779 0.0083 BFGS: 3137 16:51:52 0.004480 0.0081 BFGS: 3138 16:51:52 0.004191 0.0078 BFGS: 3139 16:51:52 0.003912 0.0075 BFGS: 3140 16:51:52 0.003642 0.0073 BFGS: 3141 16:51:52 0.003381 0.0070 BFGS: 3142 16:51:53 0.003131 0.0067 BFGS: 3143 16:51:53 0.002889 0.0064 BFGS: 3144 16:51:53 0.002658 0.0062 BFGS: 3145 16:51:53 0.002436 0.0059 BFGS: 3146 16:51:53 0.002224 0.0057 BFGS: 3147 16:51:53 0.002021 0.0055 BFGS: 3148 16:51:53 0.001828 0.0053 BFGS: 3149 16:51:53 0.001645 0.0052 BFGS: 3150 16:51:53 0.001471 0.0050 BFGS: 3151 16:51:53 0.001307 0.0048 BFGS: 3152 16:51:53 0.001153 0.0046 BFGS: 3153 16:51:53 0.001008 0.0044 BFGS: 3154 16:51:53 0.000874 0.0043 BFGS: 3155 16:51:53 0.000748 0.0041 BFGS: 3156 16:51:53 0.000633 0.0039 BFGS: 3157 16:51:53 0.000527 0.0037 BFGS: 3158 16:51:53 0.000431 0.0035 BFGS: 3159 16:51:53 0.000345 0.0033 BFGS: 3160 16:51:53 0.000268 0.0031 BFGS: 3161 16:51:53 0.000201 0.0029 BFGS: 3162 16:51:53 0.000144 0.0027 BFGS: 3163 16:51:53 0.000097 0.0025 BFGS: 3164 16:51:53 0.000059 0.0023 BFGS: 3165 16:51:53 0.000032 0.0020 BFGS: 3166 16:51:53 0.000013 0.0018 BFGS: 3167 16:51:53 0.000005 0.0015 BFGS: 3168 16:51:53 0.000004 0.0014 BFGS: 3169 16:51:53 0.000003 0.0012 BFGS: 3170 16:51:53 0.000001 0.0008 BFGS: 3171 16:51:53 0.000000 0.0004 BFGS: 3172 16:51:53 0.000000 0.0000 Minimization converged after 3172 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.07692739e-01 2.50000000e-01] [0.00000000e+00 7.92307261e-01 7.50000000e-01] [5.00000000e-01 7.07692739e-01 2.50000000e-01] [5.00000000e-01 2.92307261e-01 7.50000000e-01] [2.52405004e-01 1.38122874e-16 0.00000000e+00] [7.47594996e-01 1.38122874e-16 5.00000000e-01] [7.52405004e-01 5.00000000e-01 0.00000000e+00] [2.47594996e-01 5.00000000e-01 5.00000000e-01] [7.47594996e-01 1.38122874e-16 3.56531225e-37] [2.52405004e-01 1.38122874e-16 5.00000000e-01] [2.47594996e-01 5.00000000e-01 1.82246107e-37] [7.52405004e-01 5.00000000e-01 5.00000000e-01] [1.23175077e-37 7.98272925e-01 4.17634103e-01] [5.69839254e-38 2.01727075e-01 9.17634103e-01] [0.00000000e+00 7.98272925e-01 8.23658970e-02] [0.00000000e+00 2.01727075e-01 5.82365897e-01] [5.00000000e-01 2.98272925e-01 4.17634103e-01] [5.00000000e-01 7.01727075e-01 9.17634103e-01] [5.00000000e-01 2.98272925e-01 8.23658970e-02] [5.00000000e-01 7.01727075e-01 5.82365897e-01] [0.00000000e+00 5.97025849e-01 6.00065214e-01] [0.00000000e+00 4.02974151e-01 1.00065214e-01] [0.00000000e+00 5.97025849e-01 8.99934786e-01] [0.00000000e+00 4.02974151e-01 3.99934786e-01] [5.00000000e-01 9.70258494e-02 6.00065214e-01] [5.00000000e-01 9.02974151e-01 1.00065214e-01] [5.00000000e-01 9.70258494e-02 8.99934786e-01] [5.00000000e-01 9.02974151e-01 3.99934786e-01] [3.32747391e-01 9.33235188e-01 2.50000000e-01] [6.67252609e-01 6.67648119e-02 7.50000000e-01] [6.67252609e-01 9.33235188e-01 2.50000000e-01] [3.32747391e-01 6.67648119e-02 7.50000000e-01] [8.32747391e-01 4.33235188e-01 2.50000000e-01] [1.67252609e-01 5.66764812e-01 7.50000000e-01] [1.67252609e-01 4.33235188e-01 2.50000000e-01] [8.32747391e-01 5.66764812e-01 7.50000000e-01] [3.52169684e-01 3.19529683e-01 2.50000000e-01] [6.47830316e-01 6.80470317e-01 7.50000000e-01] [6.47830316e-01 3.19529683e-01 2.50000000e-01] [3.52169684e-01 6.80470317e-01 7.50000000e-01] [8.52169684e-01 8.19529683e-01 2.50000000e-01] [1.47830316e-01 1.80470317e-01 7.50000000e-01] [1.47830316e-01 8.19529683e-01 2.50000000e-01] [8.52169684e-01 1.80470317e-01 7.50000000e-01] [6.17082298e-01 1.32550978e-01 3.94056486e-01] [3.82917702e-01 8.67449022e-01 8.94056486e-01] [3.82917702e-01 1.32550978e-01 1.05943514e-01] [6.17082298e-01 8.67449022e-01 6.05943514e-01] [1.17082298e-01 6.32550978e-01 3.94056486e-01] [8.82917702e-01 3.67449022e-01 8.94056486e-01] [8.82917702e-01 6.32550978e-01 1.05943514e-01] [1.17082298e-01 3.67449022e-01 6.05943514e-01] [3.82917702e-01 8.67449022e-01 6.05943514e-01] [6.17082298e-01 1.32550978e-01 1.05943514e-01] [6.17082298e-01 8.67449022e-01 8.94056486e-01] [3.82917702e-01 1.32550978e-01 3.94056486e-01] [8.82917702e-01 3.67449022e-01 6.05943514e-01] [1.17082298e-01 6.32550978e-01 1.05943514e-01] [1.17082298e-01 3.67449022e-01 8.94056486e-01] [8.82917702e-01 6.32550978e-01 3.94056486e-01] [6.90467058e-01 7.35346315e-01 3.92208721e-01] [3.09532942e-01 2.64653685e-01 8.92208721e-01] [3.09532942e-01 7.35346315e-01 1.07791279e-01] [6.90467058e-01 2.64653685e-01 6.07791279e-01] [1.90467058e-01 2.35346315e-01 3.92208721e-01] [8.09532942e-01 7.64653685e-01 8.92208721e-01] [8.09532942e-01 2.35346315e-01 1.07791279e-01] [1.90467058e-01 7.64653685e-01 6.07791279e-01] [3.09532942e-01 2.64653685e-01 6.07791279e-01] [6.90467058e-01 7.35346315e-01 1.07791279e-01] [6.90467058e-01 2.64653685e-01 8.92208721e-01] [3.09532942e-01 7.35346315e-01 3.92208721e-01] [8.09532942e-01 7.64653685e-01 6.07791279e-01] [1.90467058e-01 2.35346315e-01 1.07791279e-01] [1.90467058e-01 7.64653685e-01 8.92208721e-01] [8.09532942e-01 2.35346315e-01 3.92208721e-01] [9.09554566e-01 5.74878359e-02 3.84926201e-01] [9.04454336e-02 9.42512164e-01 8.84926201e-01] [9.04454336e-02 5.74878359e-02 1.15073799e-01] [9.09554566e-01 9.42512164e-01 6.15073799e-01] [4.09554566e-01 5.57487836e-01 3.84926201e-01] [5.90445434e-01 4.42512164e-01 8.84926201e-01] [5.90445434e-01 5.57487836e-01 1.15073799e-01] [4.09554566e-01 4.42512164e-01 6.15073799e-01] [9.04454336e-02 9.42512164e-01 6.15073799e-01] [9.09554566e-01 5.74878359e-02 1.15073799e-01] [9.09554566e-01 9.42512164e-01 8.84926201e-01] [9.04454336e-02 5.74878359e-02 3.84926201e-01] [5.90445434e-01 4.42512164e-01 6.15073799e-01] [4.09554566e-01 5.57487836e-01 1.15073799e-01] [4.09554566e-01 4.42512164e-01 8.84926201e-01] [5.90445434e-01 5.57487836e-01 3.84926201e-01]] cellpar = Cell([[43.26382821418693, 1.5258474202383227e-36, 0.0], [5.657728957782127e-37, 33.39921436046016, 0.0], [0.0, 0.0, 27.275049328676314]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0