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_NakanoKaliaVashishta_1994_SiO__SM_503555646986_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 16:57:29 1550.221194 21.315317 BFGS: 1 16:57:29 1545.803846 21.246598 BFGS: 2 16:57:30 1541.645782 21.181071 BFGS: 3 16:57:30 1537.653143 21.117553 BFGS: 4 16:57:31 1533.778863 21.058500 BFGS: 5 16:57:32 1529.995480 21.001822 BFGS: 6 16:57:32 1526.283263 20.947085 BFGS: 7 16:57:33 1522.630272 20.893049 BFGS: 8 16:57:33 1519.027695 20.839617 BFGS: 9 16:57:34 1515.471994 20.786765 BFGS: 10 16:57:35 1511.958288 20.734905 BFGS: 11 16:57:35 1508.481269 20.683854 BFGS: 12 16:57:37 1505.037660 20.633226 BFGS: 13 16:57:38 1501.624461 20.582994 BFGS: 14 16:57:38 1498.239105 20.533137 BFGS: 15 16:57:38 1494.879318 20.483889 BFGS: 16 16:57:39 1491.542454 20.434972 BFGS: 17 16:57:39 1488.226741 20.387502 BFGS: 18 16:57:40 1484.929871 20.340370 BFGS: 19 16:57:40 1481.649946 20.293551 BFGS: 20 16:57:41 1478.385523 20.247042 BFGS: 21 16:57:41 1475.135350 20.200832 BFGS: 22 16:57:42 1471.898246 20.154907 BFGS: 23 16:57:42 1468.673056 20.109373 BFGS: 24 16:57:43 1465.458320 20.064201 BFGS: 25 16:57:44 1462.252779 20.019351 BFGS: 26 16:57:45 1459.055147 19.974787 BFGS: 27 16:57:45 1455.864387 19.930495 BFGS: 28 16:57:46 1452.679667 19.886448 BFGS: 29 16:57:47 1449.500076 19.842629 BFGS: 30 16:57:47 1446.324644 19.799025 BFGS: 31 16:57:48 1443.152435 19.755627 BFGS: 32 16:57:48 1439.982543 19.712822 BFGS: 33 16:57:49 1436.813997 19.670468 BFGS: 34 16:57:49 1433.645944 19.628306 BFGS: 35 16:57:50 1430.477667 19.586319 BFGS: 36 16:57:50 1427.308529 19.544615 BFGS: 37 16:57:51 1424.137840 19.503591 BFGS: 38 16:57:52 1420.964856 19.463497 BFGS: 39 16:57:52 1417.789073 19.423492 BFGS: 40 16:57:53 1414.610407 19.383633 BFGS: 41 16:57:53 1411.428977 19.344332 BFGS: 42 16:57:54 1408.245611 19.305421 BFGS: 43 16:57:54 1405.061187 19.266563 BFGS: 44 16:57:55 1401.875834 19.227752 BFGS: 45 16:57:55 1398.689720 19.188980 BFGS: 46 16:57:56 1395.503008 19.150245 BFGS: 47 16:57:56 1392.315839 19.111542 BFGS: 48 16:57:57 1389.128328 19.072869 BFGS: 49 16:57:57 1385.940575 19.034224 BFGS: 50 16:57:58 1382.752668 18.995607 BFGS: 51 16:57:58 1379.564690 18.957015 BFGS: 52 16:57:59 1376.376720 18.918448 BFGS: 53 16:57:59 1373.188831 18.879928 BFGS: 54 16:58:00 1370.001068 18.841940 BFGS: 55 16:58:00 1366.813940 18.804000 BFGS: 56 16:58:01 1363.627463 18.766095 BFGS: 57 16:58:01 1360.441658 18.728221 BFGS: 58 16:58:02 1357.256542 18.690372 BFGS: 59 16:58:02 1354.072128 18.652544 BFGS: 60 16:58:03 1350.888425 18.614735 BFGS: 61 16:58:04 1347.705434 18.576943 BFGS: 62 16:58:04 1344.523147 18.539167 BFGS: 63 16:58:05 1341.341548 18.501405 BFGS: 64 16:58:05 1338.160612 18.463655 BFGS: 65 16:58:06 1334.980304 18.425918 BFGS: 66 16:58:06 1331.800579 18.388191 BFGS: 67 16:58:07 1328.621383 18.350473 BFGS: 68 16:58:07 1325.442654 18.312763 BFGS: 69 16:58:08 1322.264321 18.275059 BFGS: 70 16:58:08 1319.086303 18.238419 BFGS: 71 16:58:09 1315.908517 18.201951 BFGS: 72 16:58:09 1312.730868 18.165512 BFGS: 73 16:58:10 1309.553263 18.129102 BFGS: 74 16:58:10 1306.375600 18.092718 BFGS: 75 16:58:11 1303.197782 18.056356 BFGS: 76 16:58:11 1300.019707 18.020013 BFGS: 77 16:58:12 1296.841280 17.983685 BFGS: 78 16:58:12 1293.662408 17.947367 BFGS: 79 16:58:13 1290.483007 17.911055 BFGS: 80 16:58:13 1287.303000 17.874743 BFGS: 81 16:58:13 1284.122321 17.838426 BFGS: 82 16:58:14 1280.940915 17.802112 BFGS: 83 16:58:14 1277.758724 17.765814 BFGS: 84 16:58:15 1274.575842 17.729500 BFGS: 85 16:58:15 1271.392264 17.693131 BFGS: 86 16:58:15 1268.207936 17.656713 BFGS: 87 16:58:16 1265.022809 17.620285 BFGS: 88 16:58:16 1261.836632 17.583853 BFGS: 89 16:58:16 1258.649364 17.547525 BFGS: 90 16:58:17 1255.460561 17.511239 BFGS: 91 16:58:17 1252.269861 17.474800 BFGS: 92 16:58:18 1249.077313 17.438235 BFGS: 93 16:58:18 1245.882995 17.401559 BFGS: 94 16:58:18 1242.687005 17.364786 BFGS: 95 16:58:19 1239.489448 17.327923 BFGS: 96 16:58:19 1236.290436 17.290975 BFGS: 97 16:58:19 1233.090085 17.253947 BFGS: 98 16:58:20 1229.888512 17.216841 BFGS: 99 16:58:20 1226.685833 17.179661 BFGS: 100 16:58:20 1223.482167 17.142407 BFGS: 101 16:58:21 1220.277689 17.106197 BFGS: 102 16:58:21 1217.073066 17.070079 BFGS: 103 16:58:22 1213.868686 17.033727 BFGS: 104 16:58:22 1210.664682 16.997244 BFGS: 105 16:58:22 1207.461386 16.960745 BFGS: 106 16:58:23 1204.259120 16.925957 BFGS: 107 16:58:23 1201.057007 16.891142 BFGS: 108 16:58:23 1197.854996 16.856164 BFGS: 109 16:58:24 1194.653097 16.821029 BFGS: 110 16:58:24 1191.451328 16.785741 BFGS: 111 16:58:24 1188.249716 16.750303 BFGS: 112 16:58:25 1185.048293 16.714717 BFGS: 113 16:58:25 1181.847099 16.678986 BFGS: 114 16:58:25 1178.646067 16.643133 BFGS: 115 16:58:26 1175.444817 16.607137 BFGS: 116 16:58:26 1172.243403 16.570997 BFGS: 117 16:58:26 1169.041888 16.534713 BFGS: 118 16:58:27 1165.840338 16.498286 BFGS: 119 16:58:27 1162.638826 16.461715 BFGS: 120 16:58:27 1159.437426 16.425002 BFGS: 121 16:58:28 1156.236183 16.389119 BFGS: 122 16:58:28 1153.034938 16.353698 BFGS: 123 16:58:28 1149.833684 16.318197 BFGS: 124 16:58:29 1146.632489 16.282614 BFGS: 125 16:58:29 1143.431424 16.246947 BFGS: 126 16:58:29 1140.230560 16.211195 BFGS: 127 16:58:30 1137.029965 16.175381 BFGS: 128 16:58:30 1133.829577 16.139477 BFGS: 129 16:58:30 1130.628899 16.103475 BFGS: 130 16:58:31 1127.425782 16.067447 BFGS: 131 16:58:31 1124.220449 16.031364 BFGS: 132 16:58:31 1121.013122 15.995207 BFGS: 133 16:58:32 1117.804023 15.958960 BFGS: 134 16:58:32 1114.593378 15.922610 BFGS: 135 16:58:33 1111.381413 15.886148 BFGS: 136 16:58:33 1108.168356 15.849565 BFGS: 137 16:58:33 1104.954438 15.812856 BFGS: 138 16:58:34 1101.739891 15.776015 BFGS: 139 16:58:34 1098.524947 15.739039 BFGS: 140 16:58:34 1095.309838 15.701926 BFGS: 141 16:58:35 1092.094797 15.664671 BFGS: 142 16:58:36 1088.880056 15.627275 BFGS: 143 16:58:36 1085.665844 15.589736 BFGS: 144 16:58:37 1082.452393 15.552054 BFGS: 145 16:58:38 1079.239929 15.514227 BFGS: 146 16:58:38 1076.028667 15.476257 BFGS: 147 16:58:38 1072.819034 15.438134 BFGS: 148 16:58:39 1069.613762 15.399868 BFGS: 149 16:58:39 1066.412984 15.361919 BFGS: 150 16:58:39 1063.216520 15.323956 BFGS: 151 16:58:40 1060.024359 15.286061 BFGS: 152 16:58:40 1056.836806 15.249239 BFGS: 153 16:58:40 1053.654130 15.212325 BFGS: 154 16:58:41 1050.476217 15.175321 BFGS: 155 16:58:41 1047.302980 15.138226 BFGS: 156 16:58:41 1044.134354 15.101040 BFGS: 157 16:58:42 1040.970283 15.063765 BFGS: 158 16:58:42 1037.810723 15.026400 BFGS: 159 16:58:42 1034.655636 14.988946 BFGS: 160 16:58:42 1031.504986 14.951402 BFGS: 161 16:58:43 1028.358835 14.913767 BFGS: 162 16:58:43 1025.218989 14.876083 BFGS: 163 16:58:43 1022.086443 14.838370 BFGS: 164 16:58:44 1018.961222 14.800616 BFGS: 165 16:58:44 1015.843362 14.762814 BFGS: 166 16:58:44 1012.732902 14.724959 BFGS: 167 16:58:44 1009.629881 14.687046 BFGS: 168 16:58:45 1006.534338 14.649072 BFGS: 169 16:58:45 1003.445928 14.611036 BFGS: 170 16:58:46 1000.364626 14.572901 BFGS: 171 16:58:46 997.290495 14.534673 BFGS: 172 16:58:47 994.223470 14.496364 BFGS: 173 16:58:47 991.163486 14.457985 BFGS: 174 16:58:47 988.110496 14.419825 BFGS: 175 16:58:48 985.064721 14.381890 BFGS: 176 16:58:48 982.026417 14.343896 BFGS: 177 16:58:49 978.995636 14.305842 BFGS: 178 16:58:49 975.972395 14.267731 BFGS: 179 16:58:49 972.956708 14.229566 BFGS: 180 16:58:50 969.948584 14.191347 BFGS: 181 16:58:50 966.948033 14.153077 BFGS: 182 16:58:51 963.955062 14.114754 BFGS: 183 16:58:51 960.969678 14.076381 BFGS: 184 16:58:51 957.991888 14.037957 BFGS: 185 16:58:52 955.021699 13.999482 BFGS: 186 16:58:52 952.059190 13.960958 BFGS: 187 16:58:52 949.104591 13.922388 BFGS: 188 16:58:52 946.157905 13.883771 BFGS: 189 16:58:52 943.219132 13.845107 BFGS: 190 16:58:53 940.288275 13.806395 BFGS: 191 16:58:53 937.365337 13.767634 BFGS: 192 16:58:53 934.450321 13.728823 BFGS: 193 16:58:53 931.543229 13.689965 BFGS: 194 16:58:54 928.643828 13.652903 BFGS: 195 16:58:54 925.750542 13.615784 BFGS: 196 16:58:54 922.863390 13.578755 BFGS: 197 16:58:55 919.982629 13.541649 BFGS: 198 16:58:55 917.108343 13.504444 BFGS: 199 16:58:55 914.240599 13.467840 BFGS: 200 16:58:56 911.379696 13.431611 BFGS: 201 16:58:56 908.525785 13.395332 BFGS: 202 16:58:56 905.678884 13.359003 BFGS: 203 16:58:56 902.839017 13.322624 BFGS: 204 16:58:57 900.006207 13.286193 BFGS: 205 16:58:57 897.180480 13.249709 BFGS: 206 16:58:57 894.361860 13.213171 BFGS: 207 16:58:57 891.550374 13.176667 BFGS: 208 16:58:58 888.746103 13.140107 BFGS: 209 16:58:58 885.949074 13.103486 BFGS: 210 16:58:58 883.159313 13.066844 BFGS: 211 16:58:58 880.376610 13.030698 BFGS: 212 16:58:58 877.600168 12.994468 BFGS: 213 16:58:59 874.830111 12.958154 BFGS: 214 16:58:59 872.066558 12.921758 BFGS: 215 16:58:59 869.309625 12.885279 BFGS: 216 16:58:59 866.559422 12.848715 BFGS: 217 16:58:59 863.816060 12.812064 BFGS: 218 16:58:59 861.079644 12.775326 BFGS: 219 16:58:59 858.350279 12.738497 BFGS: 220 16:58:59 855.628068 12.701575 BFGS: 221 16:59:00 852.912889 12.666514 BFGS: 222 16:59:00 850.204857 12.631430 BFGS: 223 16:59:00 847.504081 12.596215 BFGS: 224 16:59:00 844.810658 12.560869 BFGS: 225 16:59:00 842.124690 12.525393 BFGS: 226 16:59:01 839.446276 12.489810 BFGS: 227 16:59:01 836.775529 12.454198 BFGS: 228 16:59:01 834.112591 12.418446 BFGS: 229 16:59:01 831.457542 12.382550 BFGS: 230 16:59:01 828.810466 12.346507 BFGS: 231 16:59:02 826.171447 12.310313 BFGS: 232 16:59:02 823.540568 12.273966 BFGS: 233 16:59:02 820.917910 12.237462 BFGS: 234 16:59:02 818.303554 12.200796 BFGS: 235 16:59:03 815.697579 12.163965 BFGS: 236 16:59:03 813.100063 12.126965 BFGS: 237 16:59:03 810.510981 12.091785 BFGS: 238 16:59:03 807.929456 12.056804 BFGS: 239 16:59:03 805.359449 12.021711 BFGS: 240 16:59:03 802.801164 11.986520 BFGS: 241 16:59:03 800.254246 11.952150 BFGS: 242 16:59:03 797.718027 11.921079 BFGS: 243 16:59:04 795.192250 11.890011 BFGS: 244 16:59:04 792.676728 11.858805 BFGS: 245 16:59:04 790.171573 11.827462 BFGS: 246 16:59:04 787.676902 11.795982 BFGS: 247 16:59:04 785.192836 11.764365 BFGS: 248 16:59:04 782.719502 11.732702 BFGS: 249 16:59:04 780.257190 11.701353 BFGS: 250 16:59:04 777.806270 11.669845 BFGS: 251 16:59:04 775.366565 11.640389 BFGS: 252 16:59:05 772.939861 11.611199 BFGS: 253 16:59:05 770.525798 11.581946 BFGS: 254 16:59:05 768.124014 11.552650 BFGS: 255 16:59:05 765.733748 11.523275 BFGS: 256 16:59:05 763.355002 11.493806 BFGS: 257 16:59:05 760.987783 11.466110 BFGS: 258 16:59:06 758.632468 11.443631 BFGS: 259 16:59:06 756.291938 11.421404 BFGS: 260 16:59:06 753.966327 11.401133 BFGS: 261 16:59:06 751.656010 11.381489 BFGS: 262 16:59:06 749.360991 11.361888 BFGS: 263 16:59:06 747.081165 11.342326 BFGS: 264 16:59:06 744.816456 11.322798 BFGS: 265 16:59:06 742.566814 11.303342 BFGS: 266 16:59:07 740.331865 11.285130 BFGS: 267 16:59:07 738.111956 11.267012 BFGS: 268 16:59:07 735.906716 11.248980 BFGS: 269 16:59:07 733.714700 11.231081 BFGS: 270 16:59:08 731.535509 11.213314 BFGS: 271 16:59:08 729.369117 11.195644 BFGS: 272 16:59:08 727.215529 11.178043 BFGS: 273 16:59:08 725.074770 11.160484 BFGS: 274 16:59:09 722.946883 11.142947 BFGS: 275 16:59:09 720.831920 11.125412 BFGS: 276 16:59:09 718.729938 11.108167 BFGS: 277 16:59:09 716.640878 11.091369 BFGS: 278 16:59:09 714.564709 11.074597 BFGS: 279 16:59:10 712.500750 11.059087 BFGS: 280 16:59:10 710.446464 11.043509 BFGS: 281 16:59:10 708.402007 11.027842 BFGS: 282 16:59:10 706.367520 11.012068 BFGS: 283 16:59:10 704.343132 10.996173 BFGS: 284 16:59:10 702.328927 10.980145 BFGS: 285 16:59:11 700.324608 10.963970 BFGS: 286 16:59:11 698.330041 10.947636 BFGS: 287 16:59:11 696.345240 10.931141 BFGS: 288 16:59:11 694.370632 10.914474 BFGS: 289 16:59:11 692.406743 10.897615 BFGS: 290 16:59:11 690.453547 10.880558 BFGS: 291 16:59:12 688.511021 10.863442 BFGS: 292 16:59:12 686.579081 10.846523 BFGS: 293 16:59:12 684.657807 10.829388 BFGS: 294 16:59:12 682.747163 10.812034 BFGS: 295 16:59:12 680.847122 10.794459 BFGS: 296 16:59:12 678.957670 10.776662 BFGS: 297 16:59:13 677.078795 10.758644 BFGS: 298 16:59:13 675.210492 10.740725 BFGS: 299 16:59:13 673.353090 10.723931 BFGS: 300 16:59:13 671.507532 10.706885 BFGS: 301 16:59:13 669.673690 10.689585 BFGS: 302 16:59:13 667.851437 10.672032 BFGS: 303 16:59:13 666.040652 10.654225 BFGS: 304 16:59:14 664.241218 10.636167 BFGS: 305 16:59:14 662.453016 10.617859 BFGS: 306 16:59:14 660.675931 10.599304 BFGS: 307 16:59:14 658.909848 10.580505 BFGS: 308 16:59:14 657.154653 10.561465 BFGS: 309 16:59:15 655.409966 10.546326 BFGS: 310 16:59:15 653.676445 10.532163 BFGS: 311 16:59:15 651.953989 10.517777 BFGS: 312 16:59:15 650.242368 10.503161 BFGS: 313 16:59:15 648.541375 10.488311 BFGS: 314 16:59:15 646.850818 10.473223 BFGS: 315 16:59:16 645.170203 10.458079 BFGS: 316 16:59:16 643.498553 10.442673 BFGS: 317 16:59:16 641.835728 10.426995 BFGS: 318 16:59:16 640.181625 10.411054 BFGS: 319 16:59:16 638.536137 10.394856 BFGS: 320 16:59:16 636.899160 10.378405 BFGS: 321 16:59:17 635.270585 10.361708 BFGS: 322 16:59:17 633.650305 10.344769 BFGS: 323 16:59:17 632.038211 10.327594 BFGS: 324 16:59:17 630.434175 10.310496 BFGS: 325 16:59:17 628.837784 10.293481 BFGS: 326 16:59:17 627.248748 10.276260 BFGS: 327 16:59:17 625.666990 10.258835 BFGS: 328 16:59:17 624.092436 10.241207 BFGS: 329 16:59:18 622.525006 10.223380 BFGS: 330 16:59:18 620.964624 10.205356 BFGS: 331 16:59:18 619.411212 10.187137 BFGS: 332 16:59:18 617.864693 10.168728 BFGS: 333 16:59:18 616.324991 10.150131 BFGS: 334 16:59:18 614.792052 10.131351 BFGS: 335 16:59:19 613.266572 10.112394 BFGS: 336 16:59:19 611.749193 10.094514 BFGS: 337 16:59:19 610.240722 10.076586 BFGS: 338 16:59:19 608.741075 10.058498 BFGS: 339 16:59:19 607.250130 10.040250 BFGS: 340 16:59:19 605.767700 10.022580 BFGS: 341 16:59:19 604.293209 10.005642 BFGS: 342 16:59:19 602.826536 9.988558 BFGS: 343 16:59:20 601.367586 9.971328 BFGS: 344 16:59:20 599.916274 9.953954 BFGS: 345 16:59:20 598.472517 9.936436 BFGS: 346 16:59:20 597.036239 9.918777 BFGS: 347 16:59:20 595.607364 9.900980 BFGS: 348 16:59:20 594.185824 9.883048 BFGS: 349 16:59:20 592.771550 9.864982 BFGS: 350 16:59:20 591.364477 9.846787 BFGS: 351 16:59:20 589.964544 9.828463 BFGS: 352 16:59:21 588.571689 9.810014 BFGS: 353 16:59:21 587.185856 9.791443 BFGS: 354 16:59:21 585.806989 9.772752 BFGS: 355 16:59:21 584.435035 9.753942 BFGS: 356 16:59:21 583.069942 9.735018 BFGS: 357 16:59:21 581.711662 9.715980 BFGS: 358 16:59:21 580.360109 9.697188 BFGS: 359 16:59:21 579.015352 9.678313 BFGS: 360 16:59:22 577.677357 9.659321 BFGS: 361 16:59:22 576.346057 9.640271 BFGS: 362 16:59:22 575.020777 9.621296 BFGS: 363 16:59:22 573.700760 9.602220 BFGS: 364 16:59:22 572.385959 9.583044 BFGS: 365 16:59:22 571.076335 9.563768 BFGS: 366 16:59:22 569.771858 9.544395 BFGS: 367 16:59:23 568.472502 9.524925 BFGS: 368 16:59:23 567.178203 9.506485 BFGS: 369 16:59:23 565.889166 9.488431 BFGS: 370 16:59:23 564.605462 9.470360 BFGS: 371 16:59:23 563.327038 9.452269 BFGS: 372 16:59:23 562.053844 9.434155 BFGS: 373 16:59:23 560.785837 9.416015 BFGS: 374 16:59:23 559.522974 9.397846 BFGS: 375 16:59:24 558.265216 9.379738 BFGS: 376 16:59:24 557.012289 9.362714 BFGS: 377 16:59:24 555.764125 9.345686 BFGS: 378 16:59:24 554.520629 9.328650 BFGS: 379 16:59:24 553.281676 9.312700 BFGS: 380 16:59:24 552.046699 9.298475 BFGS: 381 16:59:24 550.814889 9.284584 BFGS: 382 16:59:24 549.584448 9.271258 BFGS: 383 16:59:25 548.354999 9.258117 BFGS: 384 16:59:25 547.126524 9.244984 BFGS: 385 16:59:25 545.898978 9.231851 BFGS: 386 16:59:25 544.672332 9.218709 BFGS: 387 16:59:25 543.446567 9.205550 BFGS: 388 16:59:25 542.221676 9.192369 BFGS: 389 16:59:25 540.997655 9.179159 BFGS: 390 16:59:25 539.774508 9.165914 BFGS: 391 16:59:26 538.552240 9.152629 BFGS: 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16:59:52 346.477846 6.400227 BFGS: 597 16:59:52 345.814038 6.383428 BFGS: 598 16:59:52 345.154223 6.366689 BFGS: 599 16:59:52 344.498256 6.350604 BFGS: 600 16:59:52 343.846094 6.334431 BFGS: 601 16:59:53 343.197789 6.318174 BFGS: 602 16:59:53 342.553394 6.301837 BFGS: 603 16:59:53 341.912958 6.285422 BFGS: 604 16:59:53 341.276530 6.268934 BFGS: 605 16:59:53 340.644269 6.252375 BFGS: 606 16:59:53 340.016360 6.235745 BFGS: 607 16:59:53 339.392845 6.219047 BFGS: 608 16:59:54 338.773689 6.202824 BFGS: 609 16:59:54 338.158489 6.186920 BFGS: 610 16:59:54 337.547191 6.170963 BFGS: 611 16:59:54 336.939843 6.154954 BFGS: 612 16:59:54 336.336496 6.138895 BFGS: 613 16:59:54 335.737201 6.122787 BFGS: 614 16:59:54 335.142010 6.106632 BFGS: 615 16:59:54 334.550997 6.091129 BFGS: 616 16:59:55 333.964358 6.075726 BFGS: 617 16:59:55 333.382144 6.060269 BFGS: 618 16:59:55 332.804376 6.044760 BFGS: 619 16:59:55 332.231077 6.029199 BFGS: 620 16:59:55 331.662263 6.013590 BFGS: 621 16:59:55 331.097951 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17:02:20 4.917722 0.545203 BFGS: 1822 17:02:20 4.878087 0.541639 BFGS: 1823 17:02:20 4.838641 0.538070 BFGS: 1824 17:02:20 4.799386 0.534498 BFGS: 1825 17:02:20 4.760320 0.530921 BFGS: 1826 17:02:20 4.721446 0.527340 BFGS: 1827 17:02:20 4.682762 0.523755 BFGS: 1828 17:02:20 4.644269 0.520165 BFGS: 1829 17:02:20 4.605968 0.516570 BFGS: 1830 17:02:20 4.567858 0.512972 BFGS: 1831 17:02:20 4.529941 0.509369 BFGS: 1832 17:02:20 4.492216 0.505762 BFGS: 1833 17:02:20 4.454685 0.502150 BFGS: 1834 17:02:20 4.417346 0.498534 BFGS: 1835 17:02:20 4.380201 0.494913 BFGS: 1836 17:02:20 4.343250 0.491288 BFGS: 1837 17:02:20 4.306493 0.487659 BFGS: 1838 17:02:21 4.269931 0.484025 BFGS: 1839 17:02:21 4.233564 0.480387 BFGS: 1840 17:02:21 4.197391 0.476745 BFGS: 1841 17:02:21 4.161415 0.473098 BFGS: 1842 17:02:21 4.125672 0.469449 BFGS: 1843 17:02:21 4.090245 0.465822 BFGS: 1844 17:02:21 4.055116 0.462207 BFGS: 1845 17:02:21 4.020272 0.458599 BFGS: 1846 17:02:21 3.985706 0.454994 BFGS: 1847 17:02:21 3.951410 0.451390 BFGS: 1848 17:02:21 3.917380 0.447783 BFGS: 1849 17:02:21 3.883612 0.444174 BFGS: 1850 17:02:21 3.850101 0.440561 BFGS: 1851 17:02:21 3.816847 0.436944 BFGS: 1852 17:02:21 3.783846 0.433321 BFGS: 1853 17:02:21 3.751098 0.429694 BFGS: 1854 17:02:22 3.718600 0.426062 BFGS: 1855 17:02:22 3.686350 0.422425 BFGS: 1856 17:02:22 3.654349 0.418783 BFGS: 1857 17:02:22 3.622594 0.415136 BFGS: 1858 17:02:22 3.591085 0.411484 BFGS: 1859 17:02:22 3.559820 0.407828 BFGS: 1860 17:02:22 3.528799 0.404167 BFGS: 1861 17:02:22 3.498021 0.400502 BFGS: 1862 17:02:22 3.467484 0.396833 BFGS: 1863 17:02:22 3.437189 0.393160 BFGS: 1864 17:02:22 3.407135 0.389483 BFGS: 1865 17:02:22 3.377320 0.385802 BFGS: 1866 17:02:22 3.347744 0.382118 BFGS: 1867 17:02:22 3.318406 0.378430 BFGS: 1868 17:02:22 3.289306 0.374740 BFGS: 1869 17:02:22 3.260443 0.371046 BFGS: 1870 17:02:22 3.231816 0.367351 BFGS: 1871 17:02:22 3.203427 0.363661 BFGS: 1872 17:02:23 3.175275 0.359976 BFGS: 1873 17:02:23 3.147361 0.356295 BFGS: 1874 17:02:23 3.119683 0.352618 BFGS: 1875 17:02:23 3.092241 0.348945 BFGS: 1876 17:02:23 3.065034 0.345274 BFGS: 1877 17:02:23 3.038062 0.341606 BFGS: 1878 17:02:23 3.011323 0.337941 BFGS: 1879 17:02:23 2.984817 0.334278 BFGS: 1880 17:02:23 2.958543 0.330617 BFGS: 1881 17:02:23 2.932501 0.326958 BFGS: 1882 17:02:23 2.906689 0.323301 BFGS: 1883 17:02:23 2.881106 0.319646 BFGS: 1884 17:02:23 2.855752 0.315992 BFGS: 1885 17:02:23 2.830626 0.312340 BFGS: 1886 17:02:23 2.805727 0.308690 BFGS: 1887 17:02:23 2.781054 0.305041 BFGS: 1888 17:02:23 2.756606 0.301394 BFGS: 1889 17:02:24 2.732382 0.297749 BFGS: 1890 17:02:24 2.708381 0.294106 BFGS: 1891 17:02:24 2.684602 0.290464 BFGS: 1892 17:02:24 2.661044 0.286824 BFGS: 1893 17:02:24 2.637706 0.283186 BFGS: 1894 17:02:24 2.614587 0.279550 BFGS: 1895 17:02:24 2.591687 0.275916 BFGS: 1896 17:02:24 2.569003 0.272285 BFGS: 1897 17:02:24 2.546535 0.268656 BFGS: 1898 17:02:24 2.524282 0.265029 BFGS: 1899 17:02:24 2.502243 0.261404 BFGS: 1900 17:02:24 2.480416 0.257782 BFGS: 1901 17:02:24 2.458802 0.254163 BFGS: 1902 17:02:24 2.437397 0.250547 BFGS: 1903 17:02:25 2.416202 0.246933 BFGS: 1904 17:02:25 2.395216 0.243323 BFGS: 1905 17:02:25 2.374436 0.239716 BFGS: 1906 17:02:25 2.353857 0.236113 BFGS: 1907 17:02:25 2.333484 0.232528 BFGS: 1908 17:02:25 2.313315 0.229420 BFGS: 1909 17:02:25 2.293346 0.228159 BFGS: 1910 17:02:25 2.273574 0.226907 BFGS: 1911 17:02:25 2.253997 0.225663 BFGS: 1912 17:02:25 2.234613 0.224427 BFGS: 1913 17:02:25 2.215418 0.223198 BFGS: 1914 17:02:25 2.196412 0.221975 BFGS: 1915 17:02:25 2.177592 0.220760 BFGS: 1916 17:02:25 2.158957 0.219551 BFGS: 1917 17:02:25 2.140504 0.218348 BFGS: 1918 17:02:26 2.122232 0.217151 BFGS: 1919 17:02:26 2.104139 0.215960 BFGS: 1920 17:02:26 2.086224 0.214774 BFGS: 1921 17:02:26 2.068484 0.213594 BFGS: 1922 17:02:26 2.050919 0.212420 BFGS: 1923 17:02:26 2.033526 0.211251 BFGS: 1924 17:02:26 2.016304 0.210087 BFGS: 1925 17:02:26 1.999252 0.208927 BFGS: 1926 17:02:26 1.982369 0.207773 BFGS: 1927 17:02:26 1.965652 0.206624 BFGS: 1928 17:02:26 1.949100 0.205480 BFGS: 1929 17:02:26 1.932713 0.204340 BFGS: 1930 17:02:26 1.916488 0.203204 BFGS: 1931 17:02:26 1.900424 0.202073 BFGS: 1932 17:02:26 1.884520 0.200947 BFGS: 1933 17:02:27 1.868774 0.199824 BFGS: 1934 17:02:27 1.853186 0.198706 BFGS: 1935 17:02:27 1.837753 0.197592 BFGS: 1936 17:02:27 1.822475 0.196481 BFGS: 1937 17:02:27 1.807350 0.195375 BFGS: 1938 17:02:27 1.792377 0.194272 BFGS: 1939 17:02:27 1.777555 0.193173 BFGS: 1940 17:02:27 1.762882 0.192077 BFGS: 1941 17:02:27 1.748358 0.190985 BFGS: 1942 17:02:27 1.733980 0.189897 BFGS: 1943 17:02:27 1.719748 0.188812 BFGS: 1944 17:02:27 1.705660 0.187729 BFGS: 1945 17:02:27 1.691716 0.186651 BFGS: 1946 17:02:27 1.677914 0.185575 BFGS: 1947 17:02:27 1.664252 0.184502 BFGS: 1948 17:02:27 1.650730 0.183432 BFGS: 1949 17:02:28 1.637347 0.182365 BFGS: 1950 17:02:28 1.624100 0.181300 BFGS: 1951 17:02:28 1.610990 0.180239 BFGS: 1952 17:02:28 1.598015 0.179179 BFGS: 1953 17:02:28 1.585173 0.178123 BFGS: 1954 17:02:28 1.572464 0.177068 BFGS: 1955 17:02:28 1.559886 0.176016 BFGS: 1956 17:02:28 1.547438 0.174967 BFGS: 1957 17:02:28 1.535119 0.173919 BFGS: 1958 17:02:28 1.522928 0.172873 BFGS: 1959 17:02:28 1.510864 0.171830 BFGS: 1960 17:02:28 1.498922 0.170788 BFGS: 1961 17:02:28 1.487095 0.169736 BFGS: 1962 17:02:28 1.475380 0.168671 BFGS: 1963 17:02:28 1.463775 0.167595 BFGS: 1964 17:02:29 1.452280 0.166508 BFGS: 1965 17:02:29 1.440892 0.165413 BFGS: 1966 17:02:29 1.429602 0.164309 BFGS: 1967 17:02:29 1.418405 0.163197 BFGS: 1968 17:02:29 1.407300 0.162079 BFGS: 1969 17:02:29 1.396284 0.160959 BFGS: 1970 17:02:29 1.385344 0.159840 BFGS: 1971 17:02:29 1.374476 0.158728 BFGS: 1972 17:02:29 1.363680 0.157621 BFGS: 1973 17:02:29 1.352954 0.156522 BFGS: 1974 17:02:29 1.342298 0.155429 BFGS: 1975 17:02:29 1.331710 0.154343 BFGS: 1976 17:02:29 1.321189 0.153265 BFGS: 1977 17:02:29 1.310735 0.152194 BFGS: 1978 17:02:29 1.300346 0.151130 BFGS: 1979 17:02:30 1.290028 0.151440 BFGS: 1980 17:02:30 1.279782 0.152300 BFGS: 1981 17:02:30 1.269606 0.153055 BFGS: 1982 17:02:30 1.259498 0.153719 BFGS: 1983 17:02:30 1.249459 0.154301 BFGS: 1984 17:02:30 1.239487 0.154810 BFGS: 1985 17:02:30 1.229582 0.155254 BFGS: 1986 17:02:30 1.219743 0.155637 BFGS: 1987 17:02:30 1.209964 0.155966 BFGS: 1988 17:02:30 1.200247 0.156247 BFGS: 1989 17:02:30 1.190592 0.156477 BFGS: 1990 17:02:30 1.180998 0.156656 BFGS: 1991 17:02:30 1.171464 0.156784 BFGS: 1992 17:02:30 1.161990 0.156860 BFGS: 1993 17:02:30 1.152574 0.156885 BFGS: 1994 17:02:31 1.143216 0.156861 BFGS: 1995 17:02:31 1.133917 0.156787 BFGS: 1996 17:02:31 1.124675 0.156667 BFGS: 1997 17:02:31 1.115489 0.156500 BFGS: 1998 17:02:31 1.106361 0.156290 BFGS: 1999 17:02:31 1.097288 0.156036 BFGS: 2000 17:02:31 1.088272 0.155742 BFGS: 2001 17:02:31 1.079311 0.155409 BFGS: 2002 17:02:31 1.070405 0.155037 BFGS: 2003 17:02:31 1.061555 0.154626 BFGS: 2004 17:02:31 1.052759 0.154180 BFGS: 2005 17:02:31 1.044018 0.153697 BFGS: 2006 17:02:31 1.035331 0.153179 BFGS: 2007 17:02:31 1.026699 0.152628 BFGS: 2008 17:02:31 1.018120 0.152046 BFGS: 2009 17:02:32 1.009595 0.151435 BFGS: 2010 17:02:32 1.001123 0.150798 BFGS: 2011 17:02:32 0.992705 0.150135 BFGS: 2012 17:02:32 0.984339 0.149450 BFGS: 2013 17:02:32 0.976026 0.148741 BFGS: 2014 17:02:32 0.967766 0.148012 BFGS: 2015 17:02:32 0.959558 0.147264 BFGS: 2016 17:02:32 0.951403 0.146496 BFGS: 2017 17:02:32 0.943300 0.145711 BFGS: 2018 17:02:32 0.935248 0.144909 BFGS: 2019 17:02:32 0.927249 0.144091 BFGS: 2020 17:02:32 0.919301 0.143259 BFGS: 2021 17:02:32 0.911405 0.142411 BFGS: 2022 17:02:32 0.903561 0.141551 BFGS: 2023 17:02:32 0.895768 0.140677 BFGS: 2024 17:02:33 0.888026 0.139791 BFGS: 2025 17:02:33 0.880335 0.138894 BFGS: 2026 17:02:33 0.872695 0.137985 BFGS: 2027 17:02:33 0.865107 0.137066 BFGS: 2028 17:02:33 0.857569 0.136137 BFGS: 2029 17:02:33 0.850082 0.135198 BFGS: 2030 17:02:33 0.842645 0.134251 BFGS: 2031 17:02:33 0.835259 0.133295 BFGS: 2032 17:02:33 0.827923 0.132331 BFGS: 2033 17:02:33 0.820638 0.131359 BFGS: 2034 17:02:33 0.813403 0.130380 BFGS: 2035 17:02:33 0.806218 0.129394 BFGS: 2036 17:02:33 0.799081 0.128401 BFGS: 2037 17:02:33 0.791987 0.127365 BFGS: 2038 17:02:33 0.784935 0.126282 BFGS: 2039 17:02:33 0.777926 0.125166 BFGS: 2040 17:02:34 0.770956 0.124025 BFGS: 2041 17:02:34 0.764026 0.122865 BFGS: 2042 17:02:34 0.757135 0.121694 BFGS: 2043 17:02:34 0.750283 0.120512 BFGS: 2044 17:02:34 0.743469 0.119322 BFGS: 2045 17:02:34 0.736693 0.118131 BFGS: 2046 17:02:34 0.729955 0.116939 BFGS: 2047 17:02:34 0.723254 0.115751 BFGS: 2048 17:02:34 0.716589 0.114569 BFGS: 2049 17:02:34 0.709961 0.113394 BFGS: 2050 17:02:34 0.703368 0.112227 BFGS: 2051 17:02:34 0.696810 0.111071 BFGS: 2052 17:02:34 0.690287 0.109925 BFGS: 2053 17:02:34 0.683799 0.108790 BFGS: 2054 17:02:34 0.677346 0.107667 BFGS: 2055 17:02:35 0.670926 0.106555 BFGS: 2056 17:02:35 0.664540 0.105456 BFGS: 2057 17:02:35 0.658188 0.104369 BFGS: 2058 17:02:35 0.651869 0.103294 BFGS: 2059 17:02:35 0.645583 0.102232 BFGS: 2060 17:02:35 0.639330 0.101181 BFGS: 2061 17:02:35 0.633110 0.100142 BFGS: 2062 17:02:35 0.626923 0.099116 BFGS: 2063 17:02:35 0.620768 0.098100 BFGS: 2064 17:02:35 0.614646 0.097096 BFGS: 2065 17:02:35 0.608555 0.096103 BFGS: 2066 17:02:35 0.602497 0.095121 BFGS: 2067 17:02:35 0.596471 0.094543 BFGS: 2068 17:02:35 0.590477 0.093987 BFGS: 2069 17:02:35 0.584514 0.093432 BFGS: 2070 17:02:36 0.578583 0.092876 BFGS: 2071 17:02:36 0.572684 0.092321 BFGS: 2072 17:02:36 0.566818 0.091765 BFGS: 2073 17:02:36 0.560982 0.091210 BFGS: 2074 17:02:36 0.555179 0.090654 BFGS: 2075 17:02:36 0.549408 0.090099 BFGS: 2076 17:02:36 0.543668 0.089544 BFGS: 2077 17:02:36 0.537959 0.088989 BFGS: 2078 17:02:36 0.532283 0.088434 BFGS: 2079 17:02:36 0.526637 0.087879 BFGS: 2080 17:02:36 0.521023 0.087324 BFGS: 2081 17:02:36 0.515441 0.086770 BFGS: 2082 17:02:36 0.509890 0.086216 BFGS: 2083 17:02:36 0.504370 0.085662 BFGS: 2084 17:02:36 0.498882 0.085108 BFGS: 2085 17:02:36 0.493424 0.084555 BFGS: 2086 17:02:37 0.487999 0.084001 BFGS: 2087 17:02:37 0.482604 0.083449 BFGS: 2088 17:02:37 0.477240 0.082896 BFGS: 2089 17:02:37 0.471908 0.082344 BFGS: 2090 17:02:37 0.466607 0.081792 BFGS: 2091 17:02:37 0.461336 0.081240 BFGS: 2092 17:02:37 0.456097 0.080689 BFGS: 2093 17:02:37 0.450889 0.080138 BFGS: 2094 17:02:37 0.445713 0.079588 BFGS: 2095 17:02:37 0.440567 0.079038 BFGS: 2096 17:02:37 0.435452 0.078488 BFGS: 2097 17:02:37 0.430368 0.077939 BFGS: 2098 17:02:37 0.425316 0.077390 BFGS: 2099 17:02:37 0.420294 0.076842 BFGS: 2100 17:02:37 0.415303 0.076294 BFGS: 2101 17:02:38 0.410343 0.075746 BFGS: 2102 17:02:38 0.405414 0.075199 BFGS: 2103 17:02:38 0.400517 0.074653 BFGS: 2104 17:02:38 0.395650 0.074107 BFGS: 2105 17:02:38 0.390814 0.073561 BFGS: 2106 17:02:38 0.386009 0.073016 BFGS: 2107 17:02:38 0.381235 0.072471 BFGS: 2108 17:02:38 0.376491 0.071927 BFGS: 2109 17:02:38 0.371779 0.071383 BFGS: 2110 17:02:38 0.367098 0.070840 BFGS: 2111 17:02:38 0.362447 0.070297 BFGS: 2112 17:02:38 0.357827 0.069755 BFGS: 2113 17:02:38 0.353239 0.069214 BFGS: 2114 17:02:38 0.348681 0.068673 BFGS: 2115 17:02:38 0.344154 0.068132 BFGS: 2116 17:02:38 0.339657 0.067592 BFGS: 2117 17:02:39 0.335192 0.067053 BFGS: 2118 17:02:39 0.330757 0.066514 BFGS: 2119 17:02:39 0.326354 0.065976 BFGS: 2120 17:02:39 0.321981 0.065438 BFGS: 2121 17:02:39 0.317638 0.064931 BFGS: 2122 17:02:39 0.313327 0.064445 BFGS: 2123 17:02:39 0.309046 0.063960 BFGS: 2124 17:02:39 0.304797 0.063475 BFGS: 2125 17:02:39 0.300579 0.062991 BFGS: 2126 17:02:39 0.296392 0.062507 BFGS: 2127 17:02:39 0.292236 0.062023 BFGS: 2128 17:02:39 0.288111 0.061539 BFGS: 2129 17:02:39 0.284016 0.061056 BFGS: 2130 17:02:39 0.279953 0.060573 BFGS: 2131 17:02:39 0.275920 0.060091 BFGS: 2132 17:02:39 0.271917 0.059609 BFGS: 2133 17:02:40 0.267946 0.059127 BFGS: 2134 17:02:40 0.264004 0.058646 BFGS: 2135 17:02:40 0.260093 0.058166 BFGS: 2136 17:02:40 0.256210 0.057686 BFGS: 2137 17:02:40 0.252356 0.057207 BFGS: 2138 17:02:40 0.248530 0.056728 BFGS: 2139 17:02:40 0.244733 0.056251 BFGS: 2140 17:02:40 0.240965 0.055775 BFGS: 2141 17:02:40 0.237225 0.055301 BFGS: 2142 17:02:40 0.233513 0.054828 BFGS: 2143 17:02:40 0.229829 0.054357 BFGS: 2144 17:02:40 0.226173 0.053886 BFGS: 2145 17:02:40 0.222545 0.053417 BFGS: 2146 17:02:40 0.218946 0.052948 BFGS: 2147 17:02:40 0.215374 0.052481 BFGS: 2148 17:02:41 0.211830 0.052015 BFGS: 2149 17:02:41 0.208314 0.051549 BFGS: 2150 17:02:41 0.204826 0.051085 BFGS: 2151 17:02:41 0.201366 0.050621 BFGS: 2152 17:02:41 0.197934 0.050158 BFGS: 2153 17:02:41 0.194530 0.049696 BFGS: 2154 17:02:41 0.191154 0.049234 BFGS: 2155 17:02:41 0.187806 0.048773 BFGS: 2156 17:02:41 0.184486 0.048313 BFGS: 2157 17:02:41 0.181194 0.047853 BFGS: 2158 17:02:41 0.177930 0.047394 BFGS: 2159 17:02:41 0.174695 0.046935 BFGS: 2160 17:02:41 0.171487 0.046477 BFGS: 2161 17:02:41 0.168308 0.046019 BFGS: 2162 17:02:42 0.165158 0.045562 BFGS: 2163 17:02:42 0.162035 0.045106 BFGS: 2164 17:02:42 0.158941 0.044649 BFGS: 2165 17:02:42 0.155875 0.044194 BFGS: 2166 17:02:42 0.152838 0.043738 BFGS: 2167 17:02:42 0.149829 0.043283 BFGS: 2168 17:02:42 0.146849 0.042828 BFGS: 2169 17:02:42 0.143897 0.042374 BFGS: 2170 17:02:42 0.140974 0.041920 BFGS: 2171 17:02:42 0.138080 0.041466 BFGS: 2172 17:02:42 0.135214 0.041013 BFGS: 2173 17:02:42 0.132377 0.040560 BFGS: 2174 17:02:42 0.129569 0.040107 BFGS: 2175 17:02:42 0.126790 0.039655 BFGS: 2176 17:02:42 0.124040 0.039203 BFGS: 2177 17:02:43 0.121319 0.038751 BFGS: 2178 17:02:43 0.118626 0.038299 BFGS: 2179 17:02:43 0.115963 0.037848 BFGS: 2180 17:02:43 0.113329 0.037397 BFGS: 2181 17:02:43 0.110724 0.036946 BFGS: 2182 17:02:43 0.108148 0.036496 BFGS: 2183 17:02:43 0.105601 0.036045 BFGS: 2184 17:02:43 0.103083 0.035595 BFGS: 2185 17:02:43 0.100595 0.035146 BFGS: 2186 17:02:43 0.098136 0.034696 BFGS: 2187 17:02:43 0.095707 0.034247 BFGS: 2188 17:02:43 0.093307 0.033798 BFGS: 2189 17:02:43 0.090936 0.033349 BFGS: 2190 17:02:43 0.088595 0.032900 BFGS: 2191 17:02:44 0.086283 0.032452 BFGS: 2192 17:02:44 0.084001 0.032004 BFGS: 2193 17:02:44 0.081749 0.031556 BFGS: 2194 17:02:44 0.079526 0.031108 BFGS: 2195 17:02:44 0.077333 0.030660 BFGS: 2196 17:02:44 0.075170 0.030213 BFGS: 2197 17:02:44 0.073037 0.029766 BFGS: 2198 17:02:44 0.070933 0.029319 BFGS: 2199 17:02:44 0.068860 0.028873 BFGS: 2200 17:02:44 0.066816 0.028426 BFGS: 2201 17:02:44 0.064802 0.027980 BFGS: 2202 17:02:44 0.062819 0.027534 BFGS: 2203 17:02:44 0.060865 0.027088 BFGS: 2204 17:02:44 0.058941 0.026643 BFGS: 2205 17:02:44 0.057048 0.026197 BFGS: 2206 17:02:44 0.055184 0.025752 BFGS: 2207 17:02:45 0.053351 0.025307 BFGS: 2208 17:02:45 0.051549 0.024863 BFGS: 2209 17:02:45 0.049776 0.024418 BFGS: 2210 17:02:45 0.048034 0.023974 BFGS: 2211 17:02:45 0.046322 0.023530 BFGS: 2212 17:02:45 0.044640 0.023086 BFGS: 2213 17:02:45 0.042989 0.022642 BFGS: 2214 17:02:45 0.041369 0.022199 BFGS: 2215 17:02:45 0.039779 0.021756 BFGS: 2216 17:02:45 0.038220 0.021313 BFGS: 2217 17:02:45 0.036691 0.020870 BFGS: 2218 17:02:45 0.035193 0.020428 BFGS: 2219 17:02:45 0.033725 0.019986 BFGS: 2220 17:02:45 0.032288 0.019544 BFGS: 2221 17:02:45 0.030882 0.019102 BFGS: 2222 17:02:45 0.029507 0.018660 BFGS: 2223 17:02:46 0.028163 0.018219 BFGS: 2224 17:02:46 0.026850 0.017783 BFGS: 2225 17:02:46 0.025567 0.017348 BFGS: 2226 17:02:46 0.024316 0.016914 BFGS: 2227 17:02:46 0.023095 0.016480 BFGS: 2228 17:02:46 0.021906 0.016046 BFGS: 2229 17:02:46 0.020748 0.015611 BFGS: 2230 17:02:46 0.019620 0.015177 BFGS: 2231 17:02:46 0.018524 0.014743 BFGS: 2232 17:02:46 0.017459 0.014309 BFGS: 2233 17:02:46 0.016425 0.013875 BFGS: 2234 17:02:46 0.015423 0.013441 BFGS: 2235 17:02:46 0.014451 0.013008 BFGS: 2236 17:02:46 0.013511 0.012574 BFGS: 2237 17:02:46 0.012603 0.012140 BFGS: 2238 17:02:46 0.011725 0.011707 BFGS: 2239 17:02:47 0.010879 0.011273 BFGS: 2240 17:02:47 0.010065 0.010840 BFGS: 2241 17:02:47 0.009281 0.010406 BFGS: 2242 17:02:47 0.008530 0.009973 BFGS: 2243 17:02:47 0.007810 0.009540 BFGS: 2244 17:02:47 0.007121 0.009225 BFGS: 2245 17:02:47 0.006464 0.008906 BFGS: 2246 17:02:47 0.005838 0.008580 BFGS: 2247 17:02:47 0.005245 0.008249 BFGS: 2248 17:02:47 0.004683 0.007912 BFGS: 2249 17:02:47 0.004152 0.007569 BFGS: 2250 17:02:47 0.003653 0.007219 BFGS: 2251 17:02:47 0.003187 0.006863 BFGS: 2252 17:02:47 0.002752 0.006501 BFGS: 2253 17:02:47 0.002348 0.006132 BFGS: 2254 17:02:47 0.001977 0.005756 BFGS: 2255 17:02:48 0.001638 0.005372 BFGS: 2256 17:02:48 0.001330 0.004981 BFGS: 2257 17:02:48 0.001055 0.004582 BFGS: 2258 17:02:48 0.000811 0.004174 BFGS: 2259 17:02:48 0.000600 0.003757 BFGS: 2260 17:02:48 0.000420 0.003329 BFGS: 2261 17:02:48 0.000273 0.002888 BFGS: 2262 17:02:48 0.000158 0.002434 BFGS: 2263 17:02:48 0.000075 0.001961 BFGS: 2264 17:02:48 0.000024 0.001513 BFGS: 2265 17:02:48 0.000005 0.001450 BFGS: 2266 17:02:48 0.000003 0.001208 BFGS: 2267 17:02:48 0.000000 0.000000 BFGS: 2268 17:02:48 0.000000 0.000000 BFGS: 2269 17:02:48 0.000000 0.000000 Minimization converged after 2269 steps. Maximum force component: 5.248327025500761e-15 eV/Angstrom Maximum stress component: 5.579555531261973e-18 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 = [[1.11056151e-33 3.31214639e-01 2.50000000e-01] [0.00000000e+00 6.68785361e-01 7.50000000e-01] [5.00000000e-01 8.31214639e-01 2.50000000e-01] [5.00000000e-01 1.68785361e-01 7.50000000e-01] [4.21665883e-01 1.38122874e-16 0.00000000e+00] [5.78334117e-01 1.38122874e-16 5.00000000e-01] [9.21665883e-01 5.00000000e-01 0.00000000e+00] [7.83341171e-02 5.00000000e-01 5.00000000e-01] [5.78334117e-01 1.38122874e-16 7.59225100e-34] [4.21665883e-01 1.38122874e-16 5.00000000e-01] [7.83341171e-02 5.00000000e-01 7.56251811e-34] [9.21665883e-01 5.00000000e-01 5.00000000e-01] [2.17727455e-36 7.34826402e-02 4.04853335e-01] [1.79507096e-36 9.26517360e-01 9.04853335e-01] [1.90815525e-36 7.34826402e-02 9.51466646e-02] [0.00000000e+00 9.26517360e-01 5.95146665e-01] [5.00000000e-01 5.73482640e-01 4.04853335e-01] [5.00000000e-01 4.26517360e-01 9.04853335e-01] [5.00000000e-01 5.73482640e-01 9.51466646e-02] [5.00000000e-01 4.26517360e-01 5.95146665e-01] [6.63566884e-36 8.01719392e-01 3.88581858e-01] [0.00000000e+00 1.98280608e-01 8.88581858e-01] [1.58793062e-36 8.01719392e-01 1.11418142e-01] [5.00443187e-37 1.98280608e-01 6.11418142e-01] [5.00000000e-01 3.01719392e-01 3.88581858e-01] [5.00000000e-01 6.98280608e-01 8.88581858e-01] [5.00000000e-01 3.01719392e-01 1.11418142e-01] [5.00000000e-01 6.98280608e-01 6.11418142e-01] [2.22260034e-01 1.16481607e-01 2.50000000e-01] [7.77739966e-01 8.83518393e-01 7.50000000e-01] [7.77739966e-01 1.16481607e-01 2.50000000e-01] [2.22260034e-01 8.83518393e-01 7.50000000e-01] [7.22260034e-01 6.16481607e-01 2.50000000e-01] [2.77739966e-01 3.83518393e-01 7.50000000e-01] [2.77739966e-01 6.16481607e-01 2.50000000e-01] [7.22260034e-01 3.83518393e-01 7.50000000e-01] [1.10512809e-01 4.77459122e-01 2.50000000e-01] [8.89487191e-01 5.22540878e-01 7.50000000e-01] [8.89487191e-01 4.77459122e-01 2.50000000e-01] [1.10512809e-01 5.22540878e-01 7.50000000e-01] [6.10512809e-01 9.77459122e-01 2.50000000e-01] [3.89487191e-01 2.25408777e-02 7.50000000e-01] [3.89487191e-01 9.77459122e-01 2.50000000e-01] [6.10512809e-01 2.25408777e-02 7.50000000e-01] [6.16377411e-01 2.51745746e-01 6.14387350e-01] [3.83622589e-01 7.48254254e-01 1.14387350e-01] [3.83622589e-01 2.51745746e-01 8.85612650e-01] [6.16377411e-01 7.48254254e-01 3.85612650e-01] [1.16377411e-01 7.51745746e-01 6.14387350e-01] [8.83622589e-01 2.48254254e-01 1.14387350e-01] [8.83622589e-01 7.51745746e-01 8.85612650e-01] [1.16377411e-01 2.48254254e-01 3.85612650e-01] [3.83622589e-01 7.48254254e-01 3.85612650e-01] [6.16377411e-01 2.51745746e-01 8.85612650e-01] [6.16377411e-01 7.48254254e-01 1.14387350e-01] [3.83622589e-01 2.51745746e-01 6.14387350e-01] [8.83622589e-01 2.48254254e-01 3.85612650e-01] [1.16377411e-01 7.51745746e-01 8.85612650e-01] [1.16377411e-01 2.48254254e-01 1.14387350e-01] [8.83622589e-01 7.51745746e-01 6.14387350e-01] [7.23695216e-01 8.92085216e-02 5.94371983e-01] [2.76304784e-01 9.10791478e-01 9.43719825e-02] [2.76304784e-01 8.92085216e-02 9.05628017e-01] [7.23695216e-01 9.10791478e-01 4.05628017e-01] [2.23695216e-01 5.89208522e-01 5.94371983e-01] [7.76304784e-01 4.10791478e-01 9.43719825e-02] [7.76304784e-01 5.89208522e-01 9.05628017e-01] [2.23695216e-01 4.10791478e-01 4.05628017e-01] [2.76304784e-01 9.10791478e-01 4.05628017e-01] [7.23695216e-01 8.92085216e-02 9.05628017e-01] [7.23695216e-01 9.10791478e-01 9.43719825e-02] [2.76304784e-01 8.92085216e-02 5.94371983e-01] [7.76304784e-01 4.10791478e-01 4.05628017e-01] [2.23695216e-01 5.89208522e-01 9.05628017e-01] [2.23695216e-01 4.10791478e-01 9.43719825e-02] [7.76304784e-01 5.89208522e-01 5.94371983e-01] [8.79973362e-01 6.20432049e-02 6.19214630e-01] [1.20026638e-01 9.37956795e-01 1.19214630e-01] [1.20026638e-01 6.20432049e-02 8.80785370e-01] [8.79973362e-01 9.37956795e-01 3.80785370e-01] [3.79973362e-01 5.62043205e-01 6.19214630e-01] [6.20026638e-01 4.37956795e-01 1.19214630e-01] [6.20026638e-01 5.62043205e-01 8.80785370e-01] [3.79973362e-01 4.37956795e-01 3.80785370e-01] [1.20026638e-01 9.37956795e-01 3.80785370e-01] [8.79973362e-01 6.20432049e-02 8.80785370e-01] [8.79973362e-01 9.37956795e-01 1.19214630e-01] [1.20026638e-01 6.20432049e-02 6.19214630e-01] [6.20026638e-01 4.37956795e-01 3.80785370e-01] [3.79973362e-01 5.62043205e-01 8.80785370e-01] [3.79973362e-01 4.37956795e-01 1.19214630e-01] [6.20026638e-01 5.62043205e-01 6.19214630e-01]] cellpar = Cell([[35.10603171045638, 2.0695976868837434e-36, 0.0], [-1.5093607111554484e-35, 27.54878682966487, 0.0], [0.0, 0.0, 21.397336312650214]]) 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] [-5.24832703e-15 -3.09403397e-52 0.00000000e+00] [ 5.24832703e-15 3.09403397e-52 0.00000000e+00] [-5.24832703e-15 -3.09403397e-52 0.00000000e+00] [ 5.24832703e-15 3.09403397e-52 0.00000000e+00] [ 5.24832703e-15 3.09403397e-52 0.00000000e+00] [-5.24832703e-15 -3.09403397e-52 0.00000000e+00] [ 5.24832703e-15 3.09403397e-52 0.00000000e+00] [-5.24832703e-15 -3.09403397e-52 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 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 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 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 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 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 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 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 0.00000000e+00]] stress = [-5.57955553e-18 -3.34973711e-90 0.00000000e+00 0.00000000e+00 0.00000000e+00 -3.05696289e-54] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0