element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] 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', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:24:32 1713.657915 19.3121 BFGS: 1 17:24:32 1710.239322 19.2699 BFGS: 2 17:24:33 1706.865030 19.2279 BFGS: 3 17:24:33 1703.528573 19.1860 BFGS: 4 17:24:33 1700.225203 19.1441 BFGS: 5 17:24:33 1696.951332 19.1023 BFGS: 6 17:24:33 1693.704091 19.0607 BFGS: 7 17:24:33 1690.481646 19.0191 BFGS: 8 17:24:33 1687.284892 18.9778 BFGS: 9 17:24:34 1684.112020 18.9368 BFGS: 10 17:24:34 1680.961447 18.8959 BFGS: 11 17:24:34 1677.831819 18.8554 BFGS: 12 17:24:34 1674.721912 18.8151 BFGS: 13 17:24:35 1671.630628 18.7751 BFGS: 14 17:24:35 1668.557019 18.7352 BFGS: 15 17:24:35 1665.500231 18.6954 BFGS: 16 17:24:35 1662.459492 18.6558 BFGS: 17 17:24:35 1659.434100 18.6164 BFGS: 18 17:24:36 1656.423416 18.5771 BFGS: 19 17:24:36 1653.426853 18.5379 BFGS: 20 17:24:36 1650.443861 18.4991 BFGS: 21 17:24:37 1647.473926 18.4604 BFGS: 22 17:24:37 1644.516587 18.4218 BFGS: 23 17:24:38 1641.571414 18.3835 BFGS: 24 17:24:38 1638.637880 18.3456 BFGS: 25 17:24:38 1635.715563 18.3078 BFGS: 26 17:24:38 1632.804112 18.2702 BFGS: 27 17:24:39 1629.903225 18.2327 BFGS: 28 17:24:39 1627.012621 18.1953 BFGS: 29 17:24:39 1624.132054 18.1580 BFGS: 30 17:24:40 1621.261270 18.1208 BFGS: 31 17:24:40 1618.400025 18.0838 BFGS: 32 17:24:40 1615.548090 18.0468 BFGS: 33 17:24:40 1612.705249 18.0100 BFGS: 34 17:24:41 1609.871300 17.9732 BFGS: 35 17:24:41 1607.046050 17.9365 BFGS: 36 17:24:41 1604.229318 17.8999 BFGS: 37 17:24:41 1601.420932 17.8634 BFGS: 38 17:24:42 1598.620730 17.8270 BFGS: 39 17:24:42 1595.828558 17.7907 BFGS: 40 17:24:42 1593.044266 17.7545 BFGS: 41 17:24:42 1590.267699 17.7185 BFGS: 42 17:24:42 1587.498770 17.6825 BFGS: 43 17:24:43 1584.737349 17.6472 BFGS: 44 17:24:43 1581.983134 17.6124 BFGS: 45 17:24:43 1579.235858 17.5778 BFGS: 46 17:24:43 1576.495346 17.5433 BFGS: 47 17:24:43 1573.761485 17.5088 BFGS: 48 17:24:44 1571.034169 17.4744 BFGS: 49 17:24:44 1568.313349 17.4401 BFGS: 50 17:24:45 1565.598930 17.4060 BFGS: 51 17:24:45 1562.890814 17.3719 BFGS: 52 17:24:45 1560.188911 17.3379 BFGS: 53 17:24:45 1557.493133 17.3039 BFGS: 54 17:24:46 1554.803395 17.2700 BFGS: 55 17:24:46 1552.119618 17.2362 BFGS: 56 17:24:47 1549.441722 17.2024 BFGS: 57 17:24:47 1546.769632 17.1686 BFGS: 58 17:24:47 1544.103275 17.1349 BFGS: 59 17:24:48 1541.442582 17.1013 BFGS: 60 17:24:48 1538.787483 17.0677 BFGS: 61 17:24:48 1536.137913 17.0342 BFGS: 62 17:24:49 1533.493807 17.0007 BFGS: 63 17:24:49 1530.855103 16.9673 BFGS: 64 17:24:49 1528.221740 16.9339 BFGS: 65 17:24:49 1525.593658 16.9007 BFGS: 66 17:24:50 1522.970800 16.8677 BFGS: 67 17:24:50 1520.353149 16.8349 BFGS: 68 17:24:50 1517.740591 16.8022 BFGS: 69 17:24:51 1515.133044 16.7696 BFGS: 70 17:24:51 1512.530459 16.7370 BFGS: 71 17:24:51 1509.932782 16.7046 BFGS: 72 17:24:51 1507.339979 16.6722 BFGS: 73 17:24:51 1504.752007 16.6399 BFGS: 74 17:24:52 1502.168815 16.6076 BFGS: 75 17:24:52 1499.590331 16.5755 BFGS: 76 17:24:52 1497.016380 16.5436 BFGS: 77 17:24:52 1494.446915 16.5117 BFGS: 78 17:24:53 1491.881883 16.4800 BFGS: 79 17:24:53 1489.321190 16.4484 BFGS: 80 17:24:53 1486.764775 16.4168 BFGS: 81 17:24:53 1484.212622 16.3854 BFGS: 82 17:24:53 1481.664697 16.3540 BFGS: 83 17:24:54 1479.120940 16.3228 BFGS: 84 17:24:54 1476.581263 16.2916 BFGS: 85 17:24:54 1474.045620 16.2605 BFGS: 86 17:24:54 1471.513967 16.2295 BFGS: 87 17:24:54 1468.986258 16.1985 BFGS: 88 17:24:55 1466.462450 16.1675 BFGS: 89 17:24:55 1463.942494 16.1367 BFGS: 90 17:24:55 1461.426343 16.1058 BFGS: 91 17:24:55 1458.913954 16.0751 BFGS: 92 17:24:55 1456.405283 16.0443 BFGS: 93 17:24:55 1453.900286 16.0136 BFGS: 94 17:24:56 1451.398919 15.9829 BFGS: 95 17:24:56 1448.901138 15.9522 BFGS: 96 17:24:57 1446.406899 15.9216 BFGS: 97 17:24:57 1443.916157 15.8910 BFGS: 98 17:24:57 1441.428854 15.8606 BFGS: 99 17:24:57 1438.944882 15.8302 BFGS: 100 17:24:57 1436.464178 15.8000 BFGS: 101 17:24:58 1433.986707 15.7697 BFGS: 102 17:24:58 1431.512384 15.7396 BFGS: 103 17:24:58 1429.041088 15.7096 BFGS: 104 17:24:58 1426.572770 15.6795 BFGS: 105 17:24:58 1424.107375 15.6495 BFGS: 106 17:24:58 1421.644851 15.6194 BFGS: 107 17:24:59 1419.185147 15.5894 BFGS: 108 17:24:59 1416.728187 15.5597 BFGS: 109 17:24:59 1414.273635 15.5302 BFGS: 110 17:24:59 1411.821248 15.5008 BFGS: 111 17:24:59 1409.370968 15.4714 BFGS: 112 17:24:59 1406.922698 15.4423 BFGS: 113 17:24:59 1404.476307 15.4132 BFGS: 114 17:24:59 1402.031733 15.3842 BFGS: 115 17:25:00 1399.588850 15.3554 BFGS: 116 17:25:00 1397.147471 15.3268 BFGS: 117 17:25:00 1394.707566 15.2982 BFGS: 118 17:25:00 1392.269067 15.2697 BFGS: 119 17:25:00 1389.831889 15.2412 BFGS: 120 17:25:00 1387.395964 15.2127 BFGS: 121 17:25:00 1384.961229 15.1842 BFGS: 122 17:25:00 1382.527612 15.1559 BFGS: 123 17:25:00 1380.094976 15.1278 BFGS: 124 17:25:00 1377.663242 15.0996 BFGS: 125 17:25:00 1375.232365 15.0715 BFGS: 126 17:25:00 1372.802287 15.0436 BFGS: 127 17:25:01 1370.372884 15.0157 BFGS: 128 17:25:01 1367.944099 14.9879 BFGS: 129 17:25:01 1365.515898 14.9600 BFGS: 130 17:25:01 1363.088255 14.9322 BFGS: 131 17:25:01 1360.661144 14.9044 BFGS: 132 17:25:01 1358.234546 14.8765 BFGS: 133 17:25:01 1355.808447 14.8487 BFGS: 134 17:25:02 1353.382836 14.8209 BFGS: 135 17:25:02 1350.957690 14.7933 BFGS: 136 17:25:02 1348.533037 14.7658 BFGS: 137 17:25:02 1346.108726 14.7386 BFGS: 138 17:25:02 1343.684621 14.7114 BFGS: 139 17:25:02 1341.260731 14.6842 BFGS: 140 17:25:03 1338.837071 14.6571 BFGS: 141 17:25:03 1336.413663 14.6299 BFGS: 142 17:25:03 1333.990536 14.6027 BFGS: 143 17:25:03 1331.567723 14.5755 BFGS: 144 17:25:03 1329.145250 14.5485 BFGS: 145 17:25:03 1326.723077 14.5217 BFGS: 146 17:25:03 1324.301244 14.4949 BFGS: 147 17:25:03 1321.879804 14.4681 BFGS: 148 17:25:03 1319.458818 14.4412 BFGS: 149 17:25:03 1317.038352 14.4144 BFGS: 150 17:25:04 1314.618480 14.3875 BFGS: 151 17:25:04 1312.199278 14.3607 BFGS: 152 17:25:04 1309.780830 14.3338 BFGS: 153 17:25:04 1307.363223 14.3069 BFGS: 154 17:25:04 1304.946583 14.2801 BFGS: 155 17:25:04 1302.531016 14.2532 BFGS: 156 17:25:04 1300.116623 14.2263 BFGS: 157 17:25:04 1297.703507 14.1994 BFGS: 158 17:25:04 1295.291776 14.1725 BFGS: 159 17:25:04 1292.881545 14.1455 BFGS: 160 17:25:04 1290.472931 14.1186 BFGS: 161 17:25:04 1288.066066 14.0918 BFGS: 162 17:25:04 1285.661153 14.0649 BFGS: 163 17:25:04 1283.258323 14.0381 BFGS: 164 17:25:05 1280.857710 14.0112 BFGS: 165 17:25:05 1278.459438 13.9845 BFGS: 166 17:25:05 1276.063639 13.9581 BFGS: 167 17:25:05 1273.670422 13.9317 BFGS: 168 17:25:05 1271.279955 13.9054 BFGS: 169 17:25:05 1268.892396 13.8791 BFGS: 170 17:25:05 1266.507796 13.8530 BFGS: 171 17:25:05 1264.126240 13.8270 BFGS: 172 17:25:05 1261.747709 13.8011 BFGS: 173 17:25:05 1259.372222 13.7751 BFGS: 174 17:25:05 1256.999859 13.7492 BFGS: 175 17:25:05 1254.630665 13.7234 BFGS: 176 17:25:05 1252.264680 13.6976 BFGS: 177 17:25:06 1249.901887 13.6718 BFGS: 178 17:25:06 1247.542246 13.6461 BFGS: 179 17:25:06 1245.185927 13.6203 BFGS: 180 17:25:06 1242.833104 13.5944 BFGS: 181 17:25:06 1240.483953 13.5686 BFGS: 182 17:25:06 1238.138651 13.5427 BFGS: 183 17:25:06 1235.797374 13.5169 BFGS: 184 17:25:06 1233.460244 13.4912 BFGS: 185 17:25:06 1231.127417 13.4654 BFGS: 186 17:25:06 1228.799074 13.4397 BFGS: 187 17:25:06 1226.475397 13.4139 BFGS: 188 17:25:06 1224.156564 13.3883 BFGS: 189 17:25:06 1221.842800 13.3626 BFGS: 190 17:25:06 1219.534321 13.3371 BFGS: 191 17:25:07 1217.231366 13.3116 BFGS: 192 17:25:07 1214.934111 13.2861 BFGS: 193 17:25:07 1212.642724 13.2606 BFGS: 194 17:25:07 1210.357368 13.2352 BFGS: 195 17:25:07 1208.078229 13.2098 BFGS: 196 17:25:07 1205.805465 13.1845 BFGS: 197 17:25:07 1203.539226 13.1592 BFGS: 198 17:25:07 1201.279671 13.1339 BFGS: 199 17:25:07 1199.026955 13.1086 BFGS: 200 17:25:07 1196.781232 13.0833 BFGS: 201 17:25:07 1194.542704 13.0581 BFGS: 202 17:25:07 1192.311556 13.0330 BFGS: 203 17:25:07 1190.087889 13.0081 BFGS: 204 17:25:08 1187.871702 12.9839 BFGS: 205 17:25:08 1185.662871 12.9598 BFGS: 206 17:25:08 1183.461452 12.9358 BFGS: 207 17:25:08 1181.267422 12.9119 BFGS: 208 17:25:08 1179.080845 12.8879 BFGS: 209 17:25:08 1176.901829 12.8639 BFGS: 210 17:25:08 1174.730348 12.8403 BFGS: 211 17:25:08 1172.566340 12.8166 BFGS: 212 17:25:08 1170.409912 12.7929 BFGS: 213 17:25:08 1168.261165 12.7693 BFGS: 214 17:25:08 1166.120199 12.7456 BFGS: 215 17:25:08 1163.987113 12.7220 BFGS: 216 17:25:08 1161.861997 12.6984 BFGS: 217 17:25:08 1159.744931 12.6748 BFGS: 218 17:25:08 1157.635991 12.6512 BFGS: 219 17:25:09 1155.535225 12.6278 BFGS: 220 17:25:09 1153.442669 12.6045 BFGS: 221 17:25:09 1151.358289 12.5816 BFGS: 222 17:25:09 1149.282021 12.5589 BFGS: 223 17:25:09 1147.213631 12.5363 BFGS: 224 17:25:09 1145.153125 12.5136 BFGS: 225 17:25:09 1143.100515 12.4910 BFGS: 226 17:25:09 1141.055801 12.4684 BFGS: 227 17:25:09 1139.018985 12.4458 BFGS: 228 17:25:09 1136.990066 12.4232 BFGS: 229 17:25:09 1134.969036 12.4007 BFGS: 230 17:25:09 1132.955885 12.3781 BFGS: 231 17:25:10 1130.950487 12.3557 BFGS: 232 17:25:10 1128.952623 12.3333 BFGS: 233 17:25:10 1126.962273 12.3108 BFGS: 234 17:25:10 1124.979418 12.2884 BFGS: 235 17:25:10 1123.004029 12.2660 BFGS: 236 17:25:10 1121.036007 12.2436 BFGS: 237 17:25:10 1119.075095 12.2212 BFGS: 238 17:25:10 1117.121240 12.1988 BFGS: 239 17:25:10 1115.174396 12.1764 BFGS: 240 17:25:10 1113.234508 12.1541 BFGS: 241 17:25:10 1111.301506 12.1320 BFGS: 242 17:25:10 1109.375332 12.1098 BFGS: 243 17:25:10 1107.455920 12.0876 BFGS: 244 17:25:10 1105.543202 12.0655 BFGS: 245 17:25:10 1103.637102 12.0433 BFGS: 246 17:25:10 1101.737529 12.0214 BFGS: 247 17:25:11 1099.844357 11.9996 BFGS: 248 17:25:11 1097.957507 11.9777 BFGS: 249 17:25:11 1096.076898 11.9559 BFGS: 250 17:25:11 1094.202455 11.9341 BFGS: 251 17:25:11 1092.334113 11.9123 BFGS: 252 17:25:11 1090.471782 11.8905 BFGS: 253 17:25:11 1088.615356 11.8688 BFGS: 254 17:25:11 1086.764710 11.8472 BFGS: 255 17:25:11 1084.919735 11.8256 BFGS: 256 17:25:11 1083.080349 11.8041 BFGS: 257 17:25:12 1081.246405 11.7827 BFGS: 258 17:25:12 1079.417658 11.7613 BFGS: 259 17:25:12 1077.593974 11.7398 BFGS: 260 17:25:12 1075.775239 11.7184 BFGS: 261 17:25:12 1073.961335 11.6970 BFGS: 262 17:25:12 1072.152146 11.6756 BFGS: 263 17:25:12 1070.347554 11.6542 BFGS: 264 17:25:12 1068.547440 11.6328 BFGS: 265 17:25:13 1066.751685 11.6114 BFGS: 266 17:25:13 1064.960170 11.5899 BFGS: 267 17:25:13 1063.172717 11.5685 BFGS: 268 17:25:13 1061.388839 11.5472 BFGS: 269 17:25:13 1059.608290 11.5260 BFGS: 270 17:25:13 1057.830847 11.5050 BFGS: 271 17:25:13 1056.056325 11.4840 BFGS: 272 17:25:13 1054.284463 11.4630 BFGS: 273 17:25:13 1052.515067 11.4420 BFGS: 274 17:25:14 1050.748031 11.4210 BFGS: 275 17:25:14 1048.983251 11.4000 BFGS: 276 17:25:14 1047.220604 11.3790 BFGS: 277 17:25:14 1045.459872 11.3581 BFGS: 278 17:25:14 1043.700912 11.3372 BFGS: 279 17:25:14 1041.943611 11.3164 BFGS: 280 17:25:14 1040.187883 11.2958 BFGS: 281 17:25:14 1038.433527 11.2751 BFGS: 282 17:25:14 1036.680245 11.2545 BFGS: 283 17:25:14 1034.927984 11.2340 BFGS: 284 17:25:14 1033.176687 11.2134 BFGS: 285 17:25:15 1031.426294 11.1928 BFGS: 286 17:25:15 1029.676722 11.1722 BFGS: 287 17:25:15 1027.927842 11.1517 BFGS: 288 17:25:15 1026.179609 11.1312 BFGS: 289 17:25:15 1024.431938 11.1108 BFGS: 290 17:25:15 1022.684596 11.0906 BFGS: 291 17:25:15 1020.937510 11.0703 BFGS: 292 17:25:15 1019.190657 11.0500 BFGS: 293 17:25:15 1017.444020 11.0296 BFGS: 294 17:25:15 1015.697591 11.0092 BFGS: 295 17:25:15 1013.951371 10.9887 BFGS: 296 17:25:15 1012.205369 10.9682 BFGS: 297 17:25:16 1010.459610 10.9477 BFGS: 298 17:25:16 1008.714082 10.9272 BFGS: 299 17:25:16 1006.968779 10.9066 BFGS: 300 17:25:16 1005.223744 10.8861 BFGS: 301 17:25:16 1003.478926 10.8656 BFGS: 302 17:25:16 1001.734175 10.8451 BFGS: 303 17:25:16 999.989511 10.8247 BFGS: 304 17:25:16 998.244908 10.8043 BFGS: 305 17:25:16 996.499963 10.7838 BFGS: 306 17:25:16 994.754616 10.7633 BFGS: 307 17:25:16 993.009017 10.7428 BFGS: 308 17:25:16 991.263307 10.7222 BFGS: 309 17:25:16 989.517640 10.7017 BFGS: 310 17:25:17 987.772215 10.6813 BFGS: 311 17:25:17 986.027215 10.6609 BFGS: 312 17:25:17 984.282555 10.6406 BFGS: 313 17:25:17 982.538409 10.6201 BFGS: 314 17:25:17 980.794954 10.5996 BFGS: 315 17:25:17 979.052349 10.5793 BFGS: 316 17:25:17 977.310613 10.5591 BFGS: 317 17:25:17 975.569905 10.5389 BFGS: 318 17:25:18 973.830450 10.5187 BFGS: 319 17:25:18 972.092460 10.4984 BFGS: 320 17:25:18 970.356122 10.4783 BFGS: 321 17:25:18 968.621547 10.4583 BFGS: 322 17:25:18 966.889052 10.4382 BFGS: 323 17:25:18 965.158868 10.4180 BFGS: 324 17:25:18 963.431225 10.3979 BFGS: 325 17:25:18 961.706351 10.3777 BFGS: 326 17:25:19 959.984464 10.3576 BFGS: 327 17:25:19 958.265475 10.3378 BFGS: 328 17:25:19 956.549423 10.3180 BFGS: 329 17:25:19 954.836523 10.2981 BFGS: 330 17:25:19 953.126990 10.2783 BFGS: 331 17:25:19 951.421003 10.2585 BFGS: 332 17:25:19 949.718672 10.2388 BFGS: 333 17:25:19 948.020183 10.2192 BFGS: 334 17:25:19 946.325735 10.1996 BFGS: 335 17:25:20 944.635515 10.1800 BFGS: 336 17:25:20 942.949707 10.1603 BFGS: 337 17:25:20 941.268485 10.1407 BFGS: 338 17:25:20 939.592019 10.1210 BFGS: 339 17:25:20 937.920470 10.1014 BFGS: 340 17:25:20 936.253919 10.0821 BFGS: 341 17:25:20 934.592227 10.0629 BFGS: 342 17:25:21 932.935515 10.0438 BFGS: 343 17:25:21 931.283972 10.0247 BFGS: 344 17:25:21 929.637856 10.0058 BFGS: 345 17:25:21 927.997304 9.9868 BFGS: 346 17:25:21 926.362443 9.9679 BFGS: 347 17:25:21 924.733389 9.9489 BFGS: 348 17:25:21 923.110248 9.9300 BFGS: 349 17:25:21 921.493117 9.9111 BFGS: 350 17:25:22 919.882082 9.8923 BFGS: 351 17:25:22 918.277222 9.8734 BFGS: 352 17:25:22 916.678605 9.8546 BFGS: 353 17:25:22 915.086292 9.8358 BFGS: 354 17:25:22 913.500333 9.8171 BFGS: 355 17:25:22 911.920772 9.7983 BFGS: 356 17:25:22 910.347646 9.7796 BFGS: 357 17:25:22 908.780960 9.7612 BFGS: 358 17:25:22 907.220692 9.7429 BFGS: 359 17:25:22 905.666854 9.7264 BFGS: 360 17:25:23 904.119360 9.7111 BFGS: 361 17:25:23 902.578054 9.6956 BFGS: 362 17:25:23 901.042948 9.6800 BFGS: 363 17:25:23 899.514026 9.6644 BFGS: 364 17:25:23 897.991307 9.6486 BFGS: 365 17:25:23 896.474791 9.6327 BFGS: 366 17:25:23 894.964474 9.6167 BFGS: 367 17:25:23 893.460349 9.6006 BFGS: 368 17:25:23 891.962403 9.5843 BFGS: 369 17:25:24 890.470619 9.5680 BFGS: 370 17:25:24 888.984979 9.5516 BFGS: 371 17:25:24 887.505459 9.5351 BFGS: 372 17:25:24 886.032033 9.5185 BFGS: 373 17:25:24 884.564673 9.5018 BFGS: 374 17:25:24 883.103345 9.4850 BFGS: 375 17:25:24 881.647989 9.4681 BFGS: 376 17:25:24 880.198501 9.4519 BFGS: 377 17:25:25 878.754738 9.4360 BFGS: 378 17:25:25 877.316587 9.4200 BFGS: 379 17:25:25 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17:27:49 155.980596 1.7173 BFGS: 1500 17:27:49 155.734083 1.7146 BFGS: 1501 17:27:49 155.488092 1.7119 BFGS: 1502 17:27:49 155.242624 1.7091 BFGS: 1503 17:27:50 154.997678 1.7064 BFGS: 1504 17:27:50 154.753256 1.7037 BFGS: 1505 17:27:50 154.509356 1.7010 BFGS: 1506 17:27:50 154.265980 1.6983 BFGS: 1507 17:27:50 154.023128 1.6956 BFGS: 1508 17:27:50 153.780799 1.6929 BFGS: 1509 17:27:50 153.538994 1.6902 BFGS: 1510 17:27:50 153.297713 1.6875 BFGS: 1511 17:27:50 153.056955 1.6848 BFGS: 1512 17:27:51 152.816722 1.6821 BFGS: 1513 17:27:51 152.577012 1.6794 BFGS: 1514 17:27:51 152.337826 1.6767 BFGS: 1515 17:27:51 152.099163 1.6740 BFGS: 1516 17:27:51 151.861024 1.6713 BFGS: 1517 17:27:51 151.623408 1.6686 BFGS: 1518 17:27:51 151.386315 1.6659 BFGS: 1519 17:27:51 151.149745 1.6632 BFGS: 1520 17:27:51 150.913697 1.6605 BFGS: 1521 17:27:51 150.678171 1.6578 BFGS: 1522 17:27:52 150.443167 1.6551 BFGS: 1523 17:27:52 150.208684 1.6525 BFGS: 1524 17:27:52 149.974722 1.6498 BFGS: 1525 17:27:52 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0.2628 BFGS: 2952 17:30:13 6.999895 0.2630 BFGS: 2953 17:30:13 6.969089 0.2631 BFGS: 2954 17:30:14 6.938333 0.2633 BFGS: 2955 17:30:14 6.907627 0.2634 BFGS: 2956 17:30:14 6.876971 0.2636 BFGS: 2957 17:30:14 6.846367 0.2637 BFGS: 2958 17:30:14 6.815813 0.2639 BFGS: 2959 17:30:14 6.785311 0.2640 BFGS: 2960 17:30:14 6.754861 0.2641 BFGS: 2961 17:30:14 6.724463 0.2643 BFGS: 2962 17:30:14 6.694117 0.2644 BFGS: 2963 17:30:15 6.663824 0.2645 BFGS: 2964 17:30:15 6.633584 0.2646 BFGS: 2965 17:30:15 6.603397 0.2647 BFGS: 2966 17:30:15 6.573264 0.2648 BFGS: 2967 17:30:15 6.543184 0.2649 BFGS: 2968 17:30:15 6.513160 0.2650 BFGS: 2969 17:30:15 6.483189 0.2651 BFGS: 2970 17:30:15 6.453274 0.2652 BFGS: 2971 17:30:15 6.423414 0.2653 BFGS: 2972 17:30:15 6.393610 0.2654 BFGS: 2973 17:30:16 6.363861 0.2654 BFGS: 2974 17:30:16 6.334169 0.2655 BFGS: 2975 17:30:16 6.304534 0.2656 BFGS: 2976 17:30:16 6.274956 0.2656 BFGS: 2977 17:30:16 6.245436 0.2657 BFGS: 2978 17:30:16 6.215973 0.2657 BFGS: 2979 17:30:16 6.186568 0.2658 BFGS: 2980 17:30:16 6.157222 0.2658 BFGS: 2981 17:30:16 6.127935 0.2658 BFGS: 2982 17:30:17 6.098707 0.2659 BFGS: 2983 17:30:17 6.069538 0.2659 BFGS: 2984 17:30:17 6.040430 0.2659 BFGS: 2985 17:30:17 6.011382 0.2659 BFGS: 2986 17:30:17 5.982395 0.2659 BFGS: 2987 17:30:17 5.953470 0.2659 BFGS: 2988 17:30:17 5.924605 0.2659 BFGS: 2989 17:30:17 5.895803 0.2659 BFGS: 2990 17:30:17 5.867063 0.2659 BFGS: 2991 17:30:17 5.838386 0.2659 BFGS: 2992 17:30:18 5.809773 0.2659 BFGS: 2993 17:30:18 5.781222 0.2658 BFGS: 2994 17:30:18 5.752736 0.2658 BFGS: 2995 17:30:18 5.724314 0.2658 BFGS: 2996 17:30:18 5.695957 0.2657 BFGS: 2997 17:30:18 5.667665 0.2657 BFGS: 2998 17:30:18 5.639439 0.2656 BFGS: 2999 17:30:18 5.611282 0.2652 BFGS: 3000 17:30:18 5.583210 0.2646 BFGS: 3001 17:30:18 5.555229 0.2640 BFGS: 3002 17:30:19 5.527339 0.2634 BFGS: 3003 17:30:19 5.499541 0.2628 BFGS: 3004 17:30:19 5.471834 0.2622 BFGS: 3005 17:30:19 5.444218 0.2616 BFGS: 3006 17:30:19 5.416695 0.2610 BFGS: 3007 17:30:19 5.389264 0.2604 BFGS: 3008 17:30:19 5.361925 0.2598 BFGS: 3009 17:30:19 5.334679 0.2592 BFGS: 3010 17:30:19 5.307526 0.2586 BFGS: 3011 17:30:19 5.280466 0.2579 BFGS: 3012 17:30:19 5.253499 0.2573 BFGS: 3013 17:30:20 5.226627 0.2567 BFGS: 3014 17:30:20 5.199848 0.2561 BFGS: 3015 17:30:20 5.173163 0.2554 BFGS: 3016 17:30:20 5.146572 0.2548 BFGS: 3017 17:30:20 5.120077 0.2542 BFGS: 3018 17:30:20 5.093676 0.2536 BFGS: 3019 17:30:20 5.067371 0.2529 BFGS: 3020 17:30:20 5.041161 0.2523 BFGS: 3021 17:30:20 5.015047 0.2516 BFGS: 3022 17:30:20 4.989029 0.2510 BFGS: 3023 17:30:21 4.963108 0.2503 BFGS: 3024 17:30:21 4.937283 0.2497 BFGS: 3025 17:30:21 4.911555 0.2490 BFGS: 3026 17:30:21 4.885924 0.2484 BFGS: 3027 17:30:21 4.860390 0.2477 BFGS: 3028 17:30:21 4.834954 0.2470 BFGS: 3029 17:30:21 4.809617 0.2464 BFGS: 3030 17:30:21 4.784377 0.2457 BFGS: 3031 17:30:21 4.759236 0.2450 BFGS: 3032 17:30:21 4.734194 0.2444 BFGS: 3033 17:30:22 4.709251 0.2437 BFGS: 3034 17:30:22 4.684408 0.2430 BFGS: 3035 17:30:22 4.659664 0.2423 BFGS: 3036 17:30:22 4.635020 0.2416 BFGS: 3037 17:30:22 4.610476 0.2409 BFGS: 3038 17:30:22 4.586033 0.2402 BFGS: 3039 17:30:22 4.561691 0.2395 BFGS: 3040 17:30:22 4.537450 0.2388 BFGS: 3041 17:30:22 4.513310 0.2381 BFGS: 3042 17:30:22 4.489282 0.2374 BFGS: 3043 17:30:23 4.465374 0.2367 BFGS: 3044 17:30:23 4.441587 0.2360 BFGS: 3045 17:30:23 4.417918 0.2353 BFGS: 3046 17:30:23 4.394365 0.2346 BFGS: 3047 17:30:23 4.370928 0.2338 BFGS: 3048 17:30:23 4.347607 0.2331 BFGS: 3049 17:30:23 4.324402 0.2324 BFGS: 3050 17:30:23 4.301312 0.2316 BFGS: 3051 17:30:23 4.278338 0.2309 BFGS: 3052 17:30:24 4.255480 0.2301 BFGS: 3053 17:30:24 4.232737 0.2294 BFGS: 3054 17:30:24 4.210104 0.2288 BFGS: 3055 17:30:24 4.187577 0.2281 BFGS: 3056 17:30:24 4.165156 0.2274 BFGS: 3057 17:30:24 4.142840 0.2268 BFGS: 3058 17:30:24 4.120629 0.2261 BFGS: 3059 17:30:24 4.098523 0.2255 BFGS: 3060 17:30:24 4.076522 0.2248 BFGS: 3061 17:30:24 4.054625 0.2241 BFGS: 3062 17:30:25 4.032833 0.2234 BFGS: 3063 17:30:25 4.011145 0.2227 BFGS: 3064 17:30:25 3.989561 0.2221 BFGS: 3065 17:30:25 3.968081 0.2214 BFGS: 3066 17:30:25 3.946705 0.2207 BFGS: 3067 17:30:25 3.925432 0.2200 BFGS: 3068 17:30:25 3.904263 0.2192 BFGS: 3069 17:30:25 3.883198 0.2185 BFGS: 3070 17:30:25 3.862236 0.2178 BFGS: 3071 17:30:26 3.841377 0.2171 BFGS: 3072 17:30:26 3.820621 0.2164 BFGS: 3073 17:30:26 3.799969 0.2156 BFGS: 3074 17:30:26 3.779419 0.2149 BFGS: 3075 17:30:26 3.758972 0.2141 BFGS: 3076 17:30:26 3.738628 0.2134 BFGS: 3077 17:30:26 3.718387 0.2126 BFGS: 3078 17:30:26 3.698248 0.2119 BFGS: 3079 17:30:26 3.678206 0.2111 BFGS: 3080 17:30:26 3.658263 0.2104 BFGS: 3081 17:30:27 3.638420 0.2096 BFGS: 3082 17:30:27 3.618676 0.2088 BFGS: 3083 17:30:27 3.599030 0.2081 BFGS: 3084 17:30:27 3.579482 0.2073 BFGS: 3085 17:30:27 3.560032 0.2065 BFGS: 3086 17:30:27 3.540679 0.2057 BFGS: 3087 17:30:27 3.521424 0.2049 BFGS: 3088 17:30:27 3.502265 0.2041 BFGS: 3089 17:30:27 3.483202 0.2034 BFGS: 3090 17:30:27 3.464236 0.2026 BFGS: 3091 17:30:28 3.445366 0.2018 BFGS: 3092 17:30:28 3.426591 0.2010 BFGS: 3093 17:30:28 3.407911 0.2002 BFGS: 3094 17:30:28 3.389326 0.1994 BFGS: 3095 17:30:28 3.370836 0.1985 BFGS: 3096 17:30:28 3.352441 0.1977 BFGS: 3097 17:30:28 3.334140 0.1969 BFGS: 3098 17:30:28 3.315932 0.1961 BFGS: 3099 17:30:28 3.297819 0.1953 BFGS: 3100 17:30:29 3.279799 0.1945 BFGS: 3101 17:30:29 3.261873 0.1936 BFGS: 3102 17:30:29 3.244039 0.1928 BFGS: 3103 17:30:29 3.226299 0.1920 BFGS: 3104 17:30:29 3.208651 0.1911 BFGS: 3105 17:30:29 3.191095 0.1903 BFGS: 3106 17:30:29 3.173632 0.1895 BFGS: 3107 17:30:29 3.156262 0.1886 BFGS: 3108 17:30:29 3.138983 0.1878 BFGS: 3109 17:30:29 3.121795 0.1869 BFGS: 3110 17:30:30 3.104700 0.1861 BFGS: 3111 17:30:30 3.087696 0.1852 BFGS: 3112 17:30:30 3.070782 0.1843 BFGS: 3113 17:30:30 3.053960 0.1835 BFGS: 3114 17:30:30 3.037227 0.1826 BFGS: 3115 17:30:30 3.020585 0.1817 BFGS: 3116 17:30:30 3.004033 0.1809 BFGS: 3117 17:30:30 2.987570 0.1800 BFGS: 3118 17:30:30 2.971198 0.1791 BFGS: 3119 17:30:30 2.954914 0.1782 BFGS: 3120 17:30:30 2.938721 0.1774 BFGS: 3121 17:30:31 2.922616 0.1765 BFGS: 3122 17:30:31 2.906601 0.1756 BFGS: 3123 17:30:31 2.890674 0.1747 BFGS: 3124 17:30:31 2.874836 0.1738 BFGS: 3125 17:30:31 2.859086 0.1729 BFGS: 3126 17:30:31 2.843424 0.1720 BFGS: 3127 17:30:31 2.827850 0.1711 BFGS: 3128 17:30:31 2.812363 0.1702 BFGS: 3129 17:30:31 2.796965 0.1693 BFGS: 3130 17:30:31 2.781654 0.1683 BFGS: 3131 17:30:32 2.766431 0.1674 BFGS: 3132 17:30:32 2.751296 0.1665 BFGS: 3133 17:30:32 2.736248 0.1656 BFGS: 3134 17:30:32 2.721288 0.1646 BFGS: 3135 17:30:32 2.706415 0.1637 BFGS: 3136 17:30:32 2.691629 0.1628 BFGS: 3137 17:30:32 2.676930 0.1618 BFGS: 3138 17:30:32 2.662318 0.1609 BFGS: 3139 17:30:32 2.647793 0.1600 BFGS: 3140 17:30:32 2.633355 0.1590 BFGS: 3141 17:30:33 2.619003 0.1581 BFGS: 3142 17:30:33 2.604739 0.1571 BFGS: 3143 17:30:33 2.590560 0.1562 BFGS: 3144 17:30:33 2.576468 0.1552 BFGS: 3145 17:30:33 2.562462 0.1543 BFGS: 3146 17:30:33 2.548543 0.1533 BFGS: 3147 17:30:33 2.534709 0.1523 BFGS: 3148 17:30:33 2.520961 0.1514 BFGS: 3149 17:30:33 2.507299 0.1504 BFGS: 3150 17:30:33 2.493723 0.1494 BFGS: 3151 17:30:34 2.480232 0.1485 BFGS: 3152 17:30:34 2.466827 0.1475 BFGS: 3153 17:30:34 2.453506 0.1465 BFGS: 3154 17:30:34 2.440271 0.1456 BFGS: 3155 17:30:34 2.427117 0.1446 BFGS: 3156 17:30:34 2.414044 0.1436 BFGS: 3157 17:30:34 2.401050 0.1426 BFGS: 3158 17:30:34 2.388137 0.1416 BFGS: 3159 17:30:34 2.375304 0.1406 BFGS: 3160 17:30:34 2.362550 0.1397 BFGS: 3161 17:30:35 2.349876 0.1387 BFGS: 3162 17:30:35 2.337281 0.1377 BFGS: 3163 17:30:35 2.324764 0.1367 BFGS: 3164 17:30:35 2.312327 0.1357 BFGS: 3165 17:30:35 2.299968 0.1347 BFGS: 3166 17:30:35 2.287688 0.1337 BFGS: 3167 17:30:35 2.275486 0.1327 BFGS: 3168 17:30:35 2.263361 0.1317 BFGS: 3169 17:30:35 2.251314 0.1307 BFGS: 3170 17:30:35 2.239345 0.1297 BFGS: 3171 17:30:36 2.227453 0.1287 BFGS: 3172 17:30:36 2.215636 0.1275 BFGS: 3173 17:30:36 2.203893 0.1262 BFGS: 3174 17:30:36 2.192223 0.1249 BFGS: 3175 17:30:36 2.180627 0.1237 BFGS: 3176 17:30:36 2.169104 0.1224 BFGS: 3177 17:30:36 2.157654 0.1212 BFGS: 3178 17:30:36 2.146276 0.1200 BFGS: 3179 17:30:36 2.134970 0.1187 BFGS: 3180 17:30:36 2.123736 0.1175 BFGS: 3181 17:30:37 2.112573 0.1162 BFGS: 3182 17:30:37 2.101482 0.1150 BFGS: 3183 17:30:37 2.090461 0.1138 BFGS: 3184 17:30:37 2.079510 0.1125 BFGS: 3185 17:30:37 2.068629 0.1113 BFGS: 3186 17:30:37 2.057818 0.1101 BFGS: 3187 17:30:37 2.047077 0.1088 BFGS: 3188 17:30:37 2.036404 0.1076 BFGS: 3189 17:30:37 2.025801 0.1064 BFGS: 3190 17:30:38 2.015265 0.1052 BFGS: 3191 17:30:38 2.004798 0.1040 BFGS: 3192 17:30:38 1.994398 0.1027 BFGS: 3193 17:30:38 1.984066 0.1015 BFGS: 3194 17:30:38 1.973801 0.1003 BFGS: 3195 17:30:38 1.963603 0.0991 BFGS: 3196 17:30:38 1.953470 0.0979 BFGS: 3197 17:30:38 1.943405 0.0967 BFGS: 3198 17:30:38 1.933404 0.0955 BFGS: 3199 17:30:38 1.923470 0.0943 BFGS: 3200 17:30:38 1.913600 0.0931 BFGS: 3201 17:30:39 1.903795 0.0919 BFGS: 3202 17:30:39 1.894054 0.0907 BFGS: 3203 17:30:39 1.884377 0.0895 BFGS: 3204 17:30:39 1.874765 0.0884 BFGS: 3205 17:30:39 1.865218 0.0872 BFGS: 3206 17:30:39 1.855735 0.0860 BFGS: 3207 17:30:39 1.846316 0.0848 BFGS: 3208 17:30:39 1.836960 0.0837 BFGS: 3209 17:30:39 1.827668 0.0829 BFGS: 3210 17:30:39 1.818439 0.0827 BFGS: 3211 17:30:40 1.809273 0.0825 BFGS: 3212 17:30:40 1.800169 0.0823 BFGS: 3213 17:30:40 1.791127 0.0822 BFGS: 3214 17:30:40 1.782147 0.0820 BFGS: 3215 17:30:40 1.773228 0.0818 BFGS: 3216 17:30:40 1.764370 0.0816 BFGS: 3217 17:30:40 1.755573 0.0817 BFGS: 3218 17:30:40 1.746836 0.0818 BFGS: 3219 17:30:40 1.738159 0.0819 BFGS: 3220 17:30:40 1.729537 0.0820 BFGS: 3221 17:30:41 1.720967 0.0822 BFGS: 3222 17:30:41 1.712448 0.0823 BFGS: 3223 17:30:41 1.703979 0.0824 BFGS: 3224 17:30:41 1.695560 0.0825 BFGS: 3225 17:30:41 1.687191 0.0826 BFGS: 3226 17:30:41 1.678871 0.0827 BFGS: 3227 17:30:41 1.670601 0.0828 BFGS: 3228 17:30:41 1.662379 0.0829 BFGS: 3229 17:30:41 1.654205 0.0829 BFGS: 3230 17:30:42 1.646079 0.0830 BFGS: 3231 17:30:42 1.638000 0.0831 BFGS: 3232 17:30:42 1.629969 0.0832 BFGS: 3233 17:30:42 1.621984 0.0832 BFGS: 3234 17:30:42 1.614045 0.0833 BFGS: 3235 17:30:42 1.606153 0.0833 BFGS: 3236 17:30:42 1.598306 0.0834 BFGS: 3237 17:30:42 1.590504 0.0834 BFGS: 3238 17:30:42 1.582745 0.0834 BFGS: 3239 17:30:42 1.575030 0.0834 BFGS: 3240 17:30:43 1.567358 0.0835 BFGS: 3241 17:30:43 1.559729 0.0835 BFGS: 3242 17:30:43 1.552143 0.0835 BFGS: 3243 17:30:43 1.544600 0.0835 BFGS: 3244 17:30:43 1.537098 0.0835 BFGS: 3245 17:30:43 1.529638 0.0835 BFGS: 3246 17:30:43 1.522220 0.0834 BFGS: 3247 17:30:43 1.514842 0.0834 BFGS: 3248 17:30:43 1.507505 0.0834 BFGS: 3249 17:30:43 1.500208 0.0834 BFGS: 3250 17:30:43 1.492951 0.0833 BFGS: 3251 17:30:43 1.485734 0.0833 BFGS: 3252 17:30:44 1.478556 0.0832 BFGS: 3253 17:30:44 1.471418 0.0832 BFGS: 3254 17:30:44 1.464318 0.0831 BFGS: 3255 17:30:44 1.457256 0.0830 BFGS: 3256 17:30:44 1.450233 0.0830 BFGS: 3257 17:30:44 1.443248 0.0829 BFGS: 3258 17:30:44 1.436300 0.0828 BFGS: 3259 17:30:44 1.429388 0.0827 BFGS: 3260 17:30:44 1.422508 0.0826 BFGS: 3261 17:30:44 1.415656 0.0825 BFGS: 3262 17:30:44 1.408835 0.0824 BFGS: 3263 17:30:45 1.402042 0.0823 BFGS: 3264 17:30:45 1.395280 0.0818 BFGS: 3265 17:30:45 1.388551 0.0812 BFGS: 3266 17:30:45 1.381854 0.0807 BFGS: 3267 17:30:45 1.375191 0.0801 BFGS: 3268 17:30:45 1.368559 0.0796 BFGS: 3269 17:30:45 1.361961 0.0790 BFGS: 3270 17:30:45 1.355394 0.0785 BFGS: 3271 17:30:45 1.348859 0.0779 BFGS: 3272 17:30:45 1.342356 0.0774 BFGS: 3273 17:30:45 1.335885 0.0768 BFGS: 3274 17:30:46 1.329446 0.0762 BFGS: 3275 17:30:46 1.323038 0.0757 BFGS: 3276 17:30:46 1.316661 0.0751 BFGS: 3277 17:30:46 1.310315 0.0745 BFGS: 3278 17:30:46 1.304000 0.0739 BFGS: 3279 17:30:46 1.297716 0.0734 BFGS: 3280 17:30:46 1.291463 0.0728 BFGS: 3281 17:30:46 1.285240 0.0722 BFGS: 3282 17:30:46 1.279048 0.0716 BFGS: 3283 17:30:46 1.272886 0.0713 BFGS: 3284 17:30:46 1.266754 0.0712 BFGS: 3285 17:30:47 1.260653 0.0710 BFGS: 3286 17:30:47 1.254581 0.0709 BFGS: 3287 17:30:47 1.248538 0.0707 BFGS: 3288 17:30:47 1.242526 0.0706 BFGS: 3289 17:30:47 1.236543 0.0704 BFGS: 3290 17:30:47 1.230589 0.0703 BFGS: 3291 17:30:47 1.224665 0.0701 BFGS: 3292 17:30:47 1.218769 0.0700 BFGS: 3293 17:30:47 1.212903 0.0698 BFGS: 3294 17:30:47 1.207065 0.0696 BFGS: 3295 17:30:48 1.201257 0.0695 BFGS: 3296 17:30:48 1.195477 0.0693 BFGS: 3297 17:30:48 1.189725 0.0692 BFGS: 3298 17:30:48 1.184002 0.0690 BFGS: 3299 17:30:48 1.178307 0.0689 BFGS: 3300 17:30:48 1.172640 0.0691 BFGS: 3301 17:30:48 1.167001 0.0694 BFGS: 3302 17:30:48 1.161390 0.0697 BFGS: 3303 17:30:48 1.155807 0.0699 BFGS: 3304 17:30:48 1.150251 0.0702 BFGS: 3305 17:30:49 1.144723 0.0704 BFGS: 3306 17:30:49 1.139222 0.0706 BFGS: 3307 17:30:49 1.133749 0.0709 BFGS: 3308 17:30:49 1.128303 0.0711 BFGS: 3309 17:30:49 1.122884 0.0713 BFGS: 3310 17:30:49 1.117492 0.0716 BFGS: 3311 17:30:49 1.112126 0.0718 BFGS: 3312 17:30:49 1.106788 0.0720 BFGS: 3313 17:30:49 1.101476 0.0722 BFGS: 3314 17:30:49 1.096190 0.0725 BFGS: 3315 17:30:50 1.090931 0.0727 BFGS: 3316 17:30:50 1.085698 0.0729 BFGS: 3317 17:30:50 1.080492 0.0731 BFGS: 3318 17:30:50 1.075311 0.0733 BFGS: 3319 17:30:50 1.070156 0.0735 BFGS: 3320 17:30:50 1.065027 0.0737 BFGS: 3321 17:30:50 1.059924 0.0739 BFGS: 3322 17:30:50 1.054847 0.0741 BFGS: 3323 17:30:50 1.049794 0.0743 BFGS: 3324 17:30:50 1.044768 0.0745 BFGS: 3325 17:30:51 1.039766 0.0747 BFGS: 3326 17:30:51 1.034789 0.0749 BFGS: 3327 17:30:51 1.029838 0.0751 BFGS: 3328 17:30:51 1.024911 0.0753 BFGS: 3329 17:30:51 1.020009 0.0755 BFGS: 3330 17:30:51 1.015132 0.0757 BFGS: 3331 17:30:51 1.010280 0.0758 BFGS: 3332 17:30:51 1.005451 0.0760 BFGS: 3333 17:30:51 1.000648 0.0762 BFGS: 3334 17:30:51 0.995868 0.0764 BFGS: 3335 17:30:52 0.991112 0.0765 BFGS: 3336 17:30:52 0.986381 0.0767 BFGS: 3337 17:30:52 0.981673 0.0769 BFGS: 3338 17:30:52 0.976989 0.0770 BFGS: 3339 17:30:52 0.972329 0.0772 BFGS: 3340 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17:31:17 0.086853 0.0562 BFGS: 3674 17:31:17 0.085656 0.0558 BFGS: 3675 17:31:17 0.084468 0.0554 BFGS: 3676 17:31:17 0.083287 0.0550 BFGS: 3677 17:31:18 0.082115 0.0546 BFGS: 3678 17:31:18 0.080950 0.0542 BFGS: 3679 17:31:18 0.079793 0.0538 BFGS: 3680 17:31:18 0.078644 0.0534 BFGS: 3681 17:31:18 0.077503 0.0530 BFGS: 3682 17:31:18 0.076370 0.0526 BFGS: 3683 17:31:18 0.075245 0.0522 BFGS: 3684 17:31:18 0.074128 0.0517 BFGS: 3685 17:31:18 0.073019 0.0513 BFGS: 3686 17:31:18 0.071919 0.0509 BFGS: 3687 17:31:18 0.070826 0.0505 BFGS: 3688 17:31:18 0.069741 0.0501 BFGS: 3689 17:31:18 0.068664 0.0497 BFGS: 3690 17:31:18 0.067596 0.0492 BFGS: 3691 17:31:18 0.066535 0.0488 BFGS: 3692 17:31:18 0.065481 0.0484 BFGS: 3693 17:31:18 0.064436 0.0480 BFGS: 3694 17:31:18 0.063397 0.0476 BFGS: 3695 17:31:18 0.062367 0.0471 BFGS: 3696 17:31:18 0.061344 0.0467 BFGS: 3697 17:31:18 0.060328 0.0463 BFGS: 3698 17:31:18 0.059321 0.0458 BFGS: 3699 17:31:19 0.058321 0.0454 BFGS: 3700 17:31:19 0.057329 0.0450 BFGS: 3701 17:31:19 0.056344 0.0445 BFGS: 3702 17:31:19 0.055367 0.0441 BFGS: 3703 17:31:19 0.054399 0.0437 BFGS: 3704 17:31:19 0.053437 0.0432 BFGS: 3705 17:31:19 0.052484 0.0428 BFGS: 3706 17:31:19 0.051539 0.0424 BFGS: 3707 17:31:19 0.050601 0.0419 BFGS: 3708 17:31:19 0.049672 0.0415 BFGS: 3709 17:31:19 0.048750 0.0411 BFGS: 3710 17:31:19 0.047836 0.0406 BFGS: 3711 17:31:19 0.046931 0.0402 BFGS: 3712 17:31:19 0.046033 0.0398 BFGS: 3713 17:31:19 0.045143 0.0393 BFGS: 3714 17:31:19 0.044262 0.0389 BFGS: 3715 17:31:19 0.043389 0.0384 BFGS: 3716 17:31:19 0.042523 0.0380 BFGS: 3717 17:31:19 0.041666 0.0376 BFGS: 3718 17:31:19 0.040817 0.0371 BFGS: 3719 17:31:20 0.039976 0.0367 BFGS: 3720 17:31:20 0.039143 0.0363 BFGS: 3721 17:31:20 0.038320 0.0358 BFGS: 3722 17:31:20 0.037506 0.0354 BFGS: 3723 17:31:20 0.036700 0.0350 BFGS: 3724 17:31:20 0.035904 0.0345 BFGS: 3725 17:31:20 0.035117 0.0341 BFGS: 3726 17:31:20 0.034338 0.0337 BFGS: 3727 17:31:20 0.033569 0.0333 BFGS: 3728 17:31:20 0.032809 0.0329 BFGS: 3729 17:31:20 0.032058 0.0325 BFGS: 3730 17:31:20 0.031316 0.0321 BFGS: 3731 17:31:20 0.030583 0.0317 BFGS: 3732 17:31:20 0.029859 0.0315 BFGS: 3733 17:31:20 0.029145 0.0313 BFGS: 3734 17:31:20 0.028440 0.0311 BFGS: 3735 17:31:20 0.027744 0.0310 BFGS: 3736 17:31:20 0.027058 0.0308 BFGS: 3737 17:31:20 0.026380 0.0306 BFGS: 3738 17:31:20 0.025712 0.0304 BFGS: 3739 17:31:20 0.025055 0.0298 BFGS: 3740 17:31:20 0.024411 0.0293 BFGS: 3741 17:31:21 0.023781 0.0288 BFGS: 3742 17:31:21 0.023163 0.0282 BFGS: 3743 17:31:21 0.022559 0.0277 BFGS: 3744 17:31:21 0.021968 0.0271 BFGS: 3745 17:31:21 0.021391 0.0267 BFGS: 3746 17:31:21 0.020826 0.0265 BFGS: 3747 17:31:21 0.020276 0.0262 BFGS: 3748 17:31:21 0.019738 0.0260 BFGS: 3749 17:31:21 0.019213 0.0257 BFGS: 3750 17:31:21 0.018702 0.0255 BFGS: 3751 17:31:21 0.018205 0.0253 BFGS: 3752 17:31:21 0.017720 0.0251 BFGS: 3753 17:31:21 0.017250 0.0249 BFGS: 3754 17:31:21 0.016794 0.0248 BFGS: 3755 17:31:21 0.016352 0.0246 BFGS: 3756 17:31:21 0.015923 0.0245 BFGS: 3757 17:31:21 0.015508 0.0243 BFGS: 3758 17:31:21 0.015107 0.0242 BFGS: 3759 17:31:21 0.014720 0.0241 BFGS: 3760 17:31:21 0.014346 0.0239 BFGS: 3761 17:31:21 0.013982 0.0237 BFGS: 3762 17:31:21 0.013630 0.0234 BFGS: 3763 17:31:22 0.013288 0.0232 BFGS: 3764 17:31:22 0.012957 0.0230 BFGS: 3765 17:31:22 0.012637 0.0227 BFGS: 3766 17:31:22 0.012328 0.0225 BFGS: 3767 17:31:22 0.012029 0.0223 BFGS: 3768 17:31:22 0.011741 0.0220 BFGS: 3769 17:31:22 0.011463 0.0218 BFGS: 3770 17:31:22 0.011195 0.0216 BFGS: 3771 17:31:22 0.010937 0.0213 BFGS: 3772 17:31:22 0.010690 0.0211 BFGS: 3773 17:31:22 0.010452 0.0208 BFGS: 3774 17:31:22 0.010224 0.0206 BFGS: 3775 17:31:22 0.010006 0.0204 BFGS: 3776 17:31:22 0.009798 0.0201 BFGS: 3777 17:31:22 0.009598 0.0199 BFGS: 3778 17:31:22 0.009409 0.0196 BFGS: 3779 17:31:22 0.009228 0.0194 BFGS: 3780 17:31:22 0.009056 0.0191 BFGS: 3781 17:31:22 0.008893 0.0189 BFGS: 3782 17:31:22 0.008739 0.0186 BFGS: 3783 17:31:23 0.008593 0.0184 BFGS: 3784 17:31:23 0.008455 0.0181 BFGS: 3785 17:31:23 0.008324 0.0179 BFGS: 3786 17:31:23 0.008202 0.0176 BFGS: 3787 17:31:23 0.008086 0.0173 BFGS: 3788 17:31:23 0.007978 0.0171 BFGS: 3789 17:31:23 0.007876 0.0168 BFGS: 3790 17:31:23 0.007779 0.0165 BFGS: 3791 17:31:23 0.007689 0.0163 BFGS: 3792 17:31:23 0.007605 0.0160 BFGS: 3793 17:31:23 0.007524 0.0157 BFGS: 3794 17:31:23 0.007447 0.0154 BFGS: 3795 17:31:23 0.007370 0.0151 BFGS: 3796 17:31:23 0.007295 0.0148 BFGS: 3797 17:31:23 0.007220 0.0145 BFGS: 3798 17:31:23 0.007146 0.0144 BFGS: 3799 17:31:23 0.007070 0.0147 BFGS: 3800 17:31:23 0.006993 0.0149 BFGS: 3801 17:31:23 0.006915 0.0151 BFGS: 3802 17:31:23 0.006833 0.0153 BFGS: 3803 17:31:23 0.006750 0.0155 BFGS: 3804 17:31:24 0.006663 0.0157 BFGS: 3805 17:31:24 0.006572 0.0158 BFGS: 3806 17:31:24 0.006478 0.0160 BFGS: 3807 17:31:24 0.006380 0.0161 BFGS: 3808 17:31:24 0.006278 0.0163 BFGS: 3809 17:31:24 0.006172 0.0164 BFGS: 3810 17:31:24 0.006062 0.0165 BFGS: 3811 17:31:24 0.005947 0.0165 BFGS: 3812 17:31:24 0.005828 0.0166 BFGS: 3813 17:31:24 0.005705 0.0166 BFGS: 3814 17:31:24 0.005577 0.0166 BFGS: 3815 17:31:24 0.005444 0.0166 BFGS: 3816 17:31:24 0.005307 0.0166 BFGS: 3817 17:31:24 0.005166 0.0165 BFGS: 3818 17:31:24 0.005020 0.0164 BFGS: 3819 17:31:24 0.004869 0.0163 BFGS: 3820 17:31:24 0.004715 0.0161 BFGS: 3821 17:31:24 0.004556 0.0160 BFGS: 3822 17:31:24 0.004393 0.0158 BFGS: 3823 17:31:24 0.004226 0.0155 BFGS: 3824 17:31:24 0.004055 0.0152 BFGS: 3825 17:31:25 0.003881 0.0149 BFGS: 3826 17:31:25 0.003703 0.0146 BFGS: 3827 17:31:25 0.003523 0.0142 BFGS: 3828 17:31:25 0.003340 0.0138 BFGS: 3829 17:31:25 0.003154 0.0133 BFGS: 3830 17:31:25 0.002967 0.0127 BFGS: 3831 17:31:25 0.002779 0.0123 BFGS: 3832 17:31:25 0.002589 0.0124 BFGS: 3833 17:31:25 0.002399 0.0124 BFGS: 3834 17:31:25 0.002211 0.0125 BFGS: 3835 17:31:25 0.002026 0.0125 BFGS: 3836 17:31:25 0.001846 0.0124 BFGS: 3837 17:31:25 0.001673 0.0123 BFGS: 3838 17:31:25 0.001507 0.0121 BFGS: 3839 17:31:25 0.001352 0.0118 BFGS: 3840 17:31:25 0.001210 0.0114 BFGS: 3841 17:31:25 0.001082 0.0106 BFGS: 3842 17:31:25 0.000995 0.0096 BFGS: 3843 17:31:25 0.000782 0.0068 BFGS: 3844 17:31:25 0.000649 0.0075 BFGS: 3845 17:31:25 0.000597 0.0072 BFGS: 3846 17:31:25 0.000178 0.0035 BFGS: 3847 17:31:25 0.000119 0.0026 BFGS: 3848 17:31:25 0.000083 0.0024 BFGS: 3849 17:31:25 0.000065 0.0022 BFGS: 3850 17:31:26 0.000050 0.0019 BFGS: 3851 17:31:26 0.000037 0.0016 BFGS: 3852 17:31:26 0.000026 0.0013 BFGS: 3853 17:31:26 0.000017 0.0012 BFGS: 3854 17:31:26 0.000010 0.0010 BFGS: 3855 17:31:26 0.000006 0.0009 BFGS: 3856 17:31:26 0.000004 0.0008 BFGS: 3857 17:31:26 0.000004 0.0008 BFGS: 3858 17:31:26 0.000003 0.0007 BFGS: 3859 17:31:26 0.000002 0.0006 BFGS: 3860 17:31:26 0.000001 0.0004 BFGS: 3861 17:31:26 0.000000 0.0002 BFGS: 3862 17:31:26 0.000000 0.0000 BFGS: 3863 17:31:26 0.000000 0.0000 Minimization converged after 3863 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', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[3.19635156e-32 0.00000000e+00 3.40060167e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [1.87529457e-32 2.63263737e-01 9.02215158e-01] [0.00000000e+00 7.36736263e-01 9.02215158e-01] [2.36736263e-01 5.00000000e-01 4.02215158e-01] [7.63263737e-01 5.00000000e-01 4.02215158e-01] [5.00000000e-01 7.63263737e-01 5.97784842e-01] [5.00000000e-01 2.36736263e-01 5.97784842e-01] [2.63263737e-01 0.00000000e+00 9.77848420e-02] [7.36736263e-01 2.58214852e-32 9.77848420e-02] [1.60942753e-32 3.66406535e-01 5.99811134e-01] [8.49488890e-32 6.33593465e-01 5.99811134e-01] [1.33593465e-01 5.00000000e-01 9.98111336e-02] [8.66406535e-01 5.00000000e-01 9.98111336e-02] [5.00000000e-01 8.66406535e-01 9.00188866e-01] [5.00000000e-01 1.33593465e-01 9.00188866e-01] [3.66406535e-01 0.00000000e+00 4.00188866e-01] [6.33593465e-01 0.00000000e+00 4.00188866e-01] [2.94672008e-32 3.70231601e-01 4.52192670e-01] [0.00000000e+00 6.29768399e-01 4.52192670e-01] [1.29768399e-01 5.00000000e-01 9.52192670e-01] [8.70231601e-01 5.00000000e-01 9.52192670e-01] [5.00000000e-01 8.70231601e-01 4.78073300e-02] [5.00000000e-01 1.29768399e-01 4.78073300e-02] [3.70231601e-01 2.27229070e-31 5.47807330e-01] [6.29768399e-01 3.44286469e-31 5.47807330e-01] [2.89550292e-33 1.31607642e-01 5.52284881e-01] [0.00000000e+00 8.68392358e-01 5.52284881e-01] [3.68392358e-01 5.00000000e-01 5.22848812e-02] [6.31607642e-01 5.00000000e-01 5.22848812e-02] [5.00000000e-01 6.31607642e-01 9.47715119e-01] [5.00000000e-01 3.68392358e-01 9.47715119e-01] [1.31607642e-01 1.65257505e-31 4.47715119e-01] [8.68392358e-01 4.82001057e-32 4.47715119e-01] [1.01100411e-32 3.57394217e-01 7.92653767e-01] [5.85751730e-33 6.42605783e-01 7.92653767e-01] [1.42605783e-01 5.00000000e-01 2.92653767e-01] [8.57394217e-01 5.00000000e-01 2.92653767e-01] [5.00000000e-01 8.57394217e-01 7.07346233e-01] [5.00000000e-01 1.42605783e-01 7.07346233e-01] [3.57394217e-01 3.44286469e-32 2.07346233e-01] [6.42605783e-01 0.00000000e+00 2.07346233e-01] [1.75424308e-01 1.33393618e-01 2.64589651e-01] [8.24575692e-01 8.66606382e-01 2.64589651e-01] [3.66606382e-01 6.75424308e-01 7.64589651e-01] [6.33393618e-01 3.24575692e-01 7.64589651e-01] [3.24575692e-01 6.33393618e-01 2.35410349e-01] [6.75424308e-01 3.66606382e-01 2.35410349e-01] [1.33393618e-01 1.75424308e-01 7.35410349e-01] [8.66606382e-01 8.24575692e-01 7.35410349e-01] [3.24575692e-01 3.66606382e-01 2.35410349e-01] [6.75424308e-01 6.33393618e-01 2.35410349e-01] [1.33393618e-01 8.24575692e-01 7.35410349e-01] [8.66606382e-01 1.75424308e-01 7.35410349e-01] [1.75424308e-01 8.66606382e-01 2.64589651e-01] [8.24575692e-01 1.33393618e-01 2.64589651e-01] [3.66606382e-01 3.24575692e-01 7.64589651e-01] [6.33393618e-01 6.75424308e-01 7.64589651e-01] [2.86023982e-01 1.28582389e-01 8.31351505e-01] [7.13976018e-01 8.71417611e-01 8.31351505e-01] [3.71417611e-01 7.86023982e-01 3.31351505e-01] [6.28582389e-01 2.13976018e-01 3.31351505e-01] [2.13976018e-01 6.28582389e-01 6.68648495e-01] [7.86023982e-01 3.71417611e-01 6.68648495e-01] [1.28582389e-01 2.86023982e-01 1.68648495e-01] [8.71417611e-01 7.13976018e-01 1.68648495e-01] [2.13976018e-01 3.71417611e-01 6.68648495e-01] [7.86023982e-01 6.28582389e-01 6.68648495e-01] [1.28582389e-01 7.13976018e-01 1.68648495e-01] [8.71417611e-01 2.86023982e-01 1.68648495e-01] [2.86023982e-01 8.71417611e-01 8.31351505e-01] [7.13976018e-01 1.28582389e-01 8.31351505e-01] [3.71417611e-01 2.13976018e-01 3.31351505e-01] [6.28582389e-01 7.86023982e-01 3.31351505e-01] [2.74317349e-01 1.55224637e-01 9.55441185e-01] [7.25682651e-01 8.44775363e-01 9.55441185e-01] [3.44775363e-01 7.74317349e-01 4.55441185e-01] [6.55224637e-01 2.25682651e-01 4.55441185e-01] [2.25682651e-01 6.55224637e-01 5.44558815e-01] [7.74317349e-01 3.44775363e-01 5.44558815e-01] [1.55224637e-01 2.74317349e-01 4.45588153e-02] [8.44775363e-01 7.25682651e-01 4.45588153e-02] [2.25682651e-01 3.44775363e-01 5.44558815e-01] [7.74317349e-01 6.55224637e-01 5.44558815e-01] [1.55224637e-01 7.25682651e-01 4.45588153e-02] [8.44775363e-01 2.74317349e-01 4.45588153e-02] [2.74317349e-01 8.44775363e-01 9.55441185e-01] [7.25682651e-01 1.55224637e-01 9.55441185e-01] [3.44775363e-01 2.25682651e-01 4.55441185e-01] [6.55224637e-01 7.74317349e-01 4.55441185e-01] [1.28568622e-01 2.24310254e-01 3.74952766e-01] [8.71431378e-01 7.75689746e-01 3.74952766e-01] [2.75689746e-01 6.28568622e-01 8.74952766e-01] [7.24310254e-01 3.71431378e-01 8.74952766e-01] [3.71431378e-01 7.24310254e-01 1.25047234e-01] [6.28568622e-01 2.75689746e-01 1.25047234e-01] [2.24310254e-01 1.28568622e-01 6.25047234e-01] [7.75689746e-01 8.71431378e-01 6.25047234e-01] [3.71431378e-01 2.75689746e-01 1.25047234e-01] [6.28568622e-01 7.24310254e-01 1.25047234e-01] [2.24310254e-01 8.71431378e-01 6.25047234e-01] [7.75689746e-01 1.28568622e-01 6.25047234e-01] [1.28568622e-01 7.75689746e-01 3.74952766e-01] [8.71431378e-01 2.24310254e-01 3.74952766e-01] [2.75689746e-01 3.71431378e-01 8.74952766e-01] [7.24310254e-01 6.28568622e-01 8.74952766e-01]] cellpar = Cell([[28.641152613496143, -2.1549996198728008e-36, 2.3017265775668784e-36], [-2.3072601612361475e-37, 28.641152613496146, 1.0859378802738714e-15], [5.402316882993641e-36, 2.6222521758512546e-15, 62.41086780636247]]) 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.] [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