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 13:59:12 1713.657915 19.312091 BFGS: 1 13:59:12 1710.239322 19.269920 BFGS: 2 13:59:12 1706.865030 19.227902 BFGS: 3 13:59:12 1703.528573 19.185970 BFGS: 4 13:59:13 1700.225203 19.144110 BFGS: 5 13:59:13 1696.951332 19.102340 BFGS: 6 13:59:13 1693.704091 19.060673 BFGS: 7 13:59:13 1690.481646 19.019125 BFGS: 8 13:59:14 1687.284892 18.977808 BFGS: 9 13:59:14 1684.112020 18.936770 BFGS: 10 13:59:14 1680.961447 18.895920 BFGS: 11 13:59:14 1677.831819 18.855353 BFGS: 12 13:59:15 1674.721912 18.815127 BFGS: 13 13:59:15 1671.630628 18.775065 BFGS: 14 13:59:15 1668.557019 18.735162 BFGS: 15 13:59:15 1665.500231 18.695415 BFGS: 16 13:59:16 1662.459492 18.655822 BFGS: 17 13:59:16 1659.434100 18.616379 BFGS: 18 13:59:16 1656.423416 18.577080 BFGS: 19 13:59:16 1653.426853 18.537942 BFGS: 20 13:59:17 1650.443861 18.499081 BFGS: 21 13:59:17 1647.473926 18.460353 BFGS: 22 13:59:17 1644.516587 18.421754 BFGS: 23 13:59:17 1641.571414 18.383545 BFGS: 24 13:59:18 1638.637880 18.345593 BFGS: 25 13:59:18 1635.715563 18.307791 BFGS: 26 13:59:18 1632.804112 18.270168 BFGS: 27 13:59:18 1629.903225 18.232663 BFGS: 28 13:59:19 1627.012621 18.195279 BFGS: 29 13:59:19 1624.132054 18.158008 BFGS: 30 13:59:19 1621.261270 18.120845 BFGS: 31 13:59:20 1618.400025 18.083786 BFGS: 32 13:59:20 1615.548090 18.046828 BFGS: 33 13:59:20 1612.705249 18.009967 BFGS: 34 13:59:20 1609.871300 17.973201 BFGS: 35 13:59:21 1607.046050 17.936526 BFGS: 36 13:59:21 1604.229318 17.899940 BFGS: 37 13:59:21 1601.420932 17.863441 BFGS: 38 13:59:21 1598.620730 17.827026 BFGS: 39 13:59:22 1595.828558 17.790693 BFGS: 40 13:59:22 1593.044266 17.754495 BFGS: 41 13:59:22 1590.267699 17.718468 BFGS: 42 13:59:22 1587.498770 17.682537 BFGS: 43 13:59:23 1584.737349 17.647213 BFGS: 44 13:59:23 1581.983134 17.612391 BFGS: 45 13:59:23 1579.235858 17.577809 BFGS: 46 13:59:24 1576.495346 17.543291 BFGS: 47 13:59:24 1573.761485 17.508834 BFGS: 48 13:59:24 1571.034169 17.474449 BFGS: 49 13:59:25 1568.313349 17.440130 BFGS: 50 13:59:25 1565.598930 17.405951 BFGS: 51 13:59:25 1562.890814 17.371878 BFGS: 52 13:59:25 1560.188911 17.337864 BFGS: 53 13:59:26 1557.493133 17.303907 BFGS: 54 13:59:26 1554.803395 17.270007 BFGS: 55 13:59:26 1552.119618 17.236162 BFGS: 56 13:59:27 1549.441722 17.202372 BFGS: 57 13:59:27 1546.769632 17.168635 BFGS: 58 13:59:27 1544.103275 17.134949 BFGS: 59 13:59:28 1541.442582 17.101315 BFGS: 60 13:59:28 1538.787483 17.067732 BFGS: 61 13:59:28 1536.137913 17.034197 BFGS: 62 13:59:28 1533.493807 17.000712 BFGS: 63 13:59:29 1530.855103 16.967274 BFGS: 64 13:59:29 1528.221740 16.933883 BFGS: 65 13:59:29 1525.593658 16.900725 BFGS: 66 13:59:30 1522.970800 16.867728 BFGS: 67 13:59:30 1520.353149 16.834894 BFGS: 68 13:59:30 1517.740591 16.802228 BFGS: 69 13:59:31 1515.133044 16.769604 BFGS: 70 13:59:31 1512.530459 16.737022 BFGS: 71 13:59:31 1509.932782 16.704578 BFGS: 72 13:59:32 1507.339979 16.672197 BFGS: 73 13:59:32 1504.752007 16.639855 BFGS: 74 13:59:32 1502.168815 16.607552 BFGS: 75 13:59:32 1499.590331 16.575545 BFGS: 76 13:59:33 1497.016380 16.543601 BFGS: 77 13:59:33 1494.446915 16.511699 BFGS: 78 13:59:33 1491.881883 16.479978 BFGS: 79 13:59:34 1489.321190 16.448352 BFGS: 80 13:59:34 1486.764775 16.416840 BFGS: 81 13:59:34 1484.212622 16.385397 BFGS: 82 13:59:35 1481.664697 16.353992 BFGS: 83 13:59:35 1479.120940 16.322755 BFGS: 84 13:59:35 1476.581263 16.291633 BFGS: 85 13:59:35 1474.045620 16.260548 BFGS: 86 13:59:36 1471.513967 16.229501 BFGS: 87 13:59:36 1468.986258 16.198489 BFGS: 88 13:59:36 1466.462450 16.167512 BFGS: 89 13:59:37 1463.942494 16.136657 BFGS: 90 13:59:37 1461.426343 16.105845 BFGS: 91 13:59:37 1458.913954 16.075064 BFGS: 92 13:59:38 1456.405283 16.044313 BFGS: 93 13:59:38 1453.900286 16.013592 BFGS: 94 13:59:38 1451.398919 15.982900 BFGS: 95 13:59:38 1448.901138 15.952237 BFGS: 96 13:59:39 1446.406899 15.921601 BFGS: 97 13:59:39 1443.916157 15.890992 BFGS: 98 13:59:39 1441.428854 15.860552 BFGS: 99 13:59:39 1438.944882 15.830226 BFGS: 100 13:59:40 1436.464178 15.799960 BFGS: 101 13:59:40 1433.986707 15.769742 BFGS: 102 13:59:40 1431.512384 15.739642 BFGS: 103 13:59:41 1429.041088 15.709562 BFGS: 104 13:59:41 1426.572770 15.679501 BFGS: 105 13:59:41 1424.107375 15.649460 BFGS: 106 13:59:41 1421.644851 15.619437 BFGS: 107 13:59:42 1419.185147 15.589431 BFGS: 108 13:59:42 1416.728187 15.559673 BFGS: 109 13:59:42 1414.273635 15.530219 BFGS: 110 13:59:42 1411.821248 15.500788 BFGS: 111 13:59:43 1409.370968 15.471377 BFGS: 112 13:59:43 1406.922698 15.442289 BFGS: 113 13:59:43 1404.476307 15.413240 BFGS: 114 13:59:44 1402.031733 15.384231 BFGS: 115 13:59:44 1399.588850 15.355385 BFGS: 116 13:59:44 1397.147471 15.326791 BFGS: 117 13:59:44 1394.707566 15.298222 BFGS: 118 13:59:45 1392.269067 15.269685 BFGS: 119 13:59:45 1389.831889 15.241171 BFGS: 120 13:59:45 1387.395964 15.212674 BFGS: 121 13:59:46 1384.961229 15.184195 BFGS: 122 13:59:46 1382.527612 15.155903 BFGS: 123 13:59:46 1380.094976 15.127766 BFGS: 124 13:59:46 1377.663242 15.099645 BFGS: 125 13:59:47 1375.232365 15.071538 BFGS: 126 13:59:47 1372.802287 15.043589 BFGS: 127 13:59:47 1370.372884 15.015720 BFGS: 128 13:59:48 1367.944099 14.987865 BFGS: 129 13:59:48 1365.515898 14.960021 BFGS: 130 13:59:48 1363.088255 14.932186 BFGS: 131 13:59:48 1360.661144 14.904359 BFGS: 132 13:59:49 1358.234546 14.876538 BFGS: 133 13:59:49 1355.808447 14.848722 BFGS: 134 13:59:49 1353.382836 14.820921 BFGS: 135 13:59:50 1350.957690 14.793278 BFGS: 136 13:59:50 1348.533037 14.765762 BFGS: 137 13:59:50 1346.108726 14.738587 BFGS: 138 13:59:50 1343.684621 14.711413 BFGS: 139 13:59:51 1341.260731 14.684238 BFGS: 140 13:59:51 1338.837071 14.657062 BFGS: 141 13:59:51 1336.413663 14.629883 BFGS: 142 13:59:52 1333.990536 14.602702 BFGS: 143 13:59:52 1331.567723 14.575517 BFGS: 144 13:59:52 1329.145250 14.548529 BFGS: 145 13:59:52 1326.723077 14.521711 BFGS: 146 13:59:53 1324.301244 14.494890 BFGS: 147 13:59:53 1321.879804 14.468063 BFGS: 148 13:59:53 1319.458818 14.441230 BFGS: 149 13:59:54 1317.038352 14.414389 BFGS: 150 13:59:54 1314.618480 14.387539 BFGS: 151 13:59:54 1312.199278 14.360679 BFGS: 152 13:59:54 1309.780830 14.333807 BFGS: 153 13:59:55 1307.363223 14.306937 BFGS: 154 13:59:55 1304.946583 14.280076 BFGS: 155 13:59:55 1302.531016 14.253201 BFGS: 156 13:59:55 1300.116623 14.226310 BFGS: 157 13:59:56 1297.703507 14.199404 BFGS: 158 13:59:56 1295.291776 14.172481 BFGS: 159 13:59:56 1292.881545 14.145541 BFGS: 160 13:59:57 1290.472931 14.118589 BFGS: 161 13:59:57 1288.066066 14.091751 BFGS: 162 13:59:57 1285.661153 14.064900 BFGS: 163 13:59:57 1283.258323 14.038051 BFGS: 164 13:59:58 1280.857710 14.011202 BFGS: 165 13:59:58 1278.459438 13.984515 BFGS: 166 13:59:58 1276.063639 13.958062 BFGS: 167 13:59:59 1273.670422 13.931698 BFGS: 168 13:59:59 1271.279955 13.905368 BFGS: 169 13:59:59 1268.892396 13.879063 BFGS: 170 13:59:59 1266.507796 13.853030 BFGS: 171 14:00:00 1264.126240 13.827045 BFGS: 172 14:00:00 1261.747709 13.801064 BFGS: 173 14:00:00 1259.372222 13.775117 BFGS: 174 14:00:01 1256.999859 13.749203 BFGS: 175 14:00:01 1254.630665 13.723389 BFGS: 176 14:00:01 1252.264680 13.697587 BFGS: 177 14:00:01 1249.901887 13.671837 BFGS: 178 14:00:02 1247.542246 13.646060 BFGS: 179 14:00:02 1245.185927 13.620255 BFGS: 180 14:00:02 1242.833104 13.594425 BFGS: 181 14:00:02 1240.483953 13.568570 BFGS: 182 14:00:03 1238.138651 13.542690 BFGS: 183 14:00:03 1235.797374 13.516868 BFGS: 184 14:00:03 1233.460244 13.491169 BFGS: 185 14:00:04 1231.127417 13.465450 BFGS: 186 14:00:04 1228.799074 13.439710 BFGS: 187 14:00:04 1226.475397 13.413950 BFGS: 188 14:00:04 1224.156564 13.388282 BFGS: 189 14:00:05 1221.842800 13.362642 BFGS: 190 14:00:05 1219.534321 13.337132 BFGS: 191 14:00:05 1217.231366 13.311609 BFGS: 192 14:00:06 1214.934111 13.286075 BFGS: 193 14:00:06 1212.642724 13.260602 BFGS: 194 14:00:06 1210.357368 13.235215 BFGS: 195 14:00:06 1208.078229 13.209821 BFGS: 196 14:00:07 1205.805465 13.184515 BFGS: 197 14:00:07 1203.539226 13.159211 BFGS: 198 14:00:07 1201.279671 13.133901 BFGS: 199 14:00:08 1199.026955 13.108586 BFGS: 200 14:00:08 1196.781232 13.083313 BFGS: 201 14:00:08 1194.542704 13.058147 BFGS: 202 14:00:08 1192.311556 13.032978 BFGS: 203 14:00:09 1190.087889 13.008141 BFGS: 204 14:00:09 1187.871702 12.983876 BFGS: 205 14:00:09 1185.662871 12.959822 BFGS: 206 14:00:10 1183.461452 12.935824 BFGS: 207 14:00:10 1181.267422 12.911854 BFGS: 208 14:00:10 1179.080845 12.887875 BFGS: 209 14:00:10 1176.901829 12.863930 BFGS: 210 14:00:11 1174.730348 12.840263 BFGS: 211 14:00:11 1172.566340 12.816597 BFGS: 212 14:00:11 1170.409912 12.792933 BFGS: 213 14:00:11 1168.261165 12.769270 BFGS: 214 14:00:12 1166.120199 12.745639 BFGS: 215 14:00:12 1163.987113 12.722017 BFGS: 216 14:00:12 1161.861997 12.698400 BFGS: 217 14:00:13 1159.744931 12.674787 BFGS: 218 14:00:13 1157.635991 12.651187 BFGS: 219 14:00:13 1155.535225 12.627760 BFGS: 220 14:00:13 1153.442669 12.604521 BFGS: 221 14:00:14 1151.358289 12.581593 BFGS: 222 14:00:14 1149.282021 12.558906 BFGS: 223 14:00:14 1147.213631 12.536261 BFGS: 224 14:00:15 1145.153125 12.513616 BFGS: 225 14:00:15 1143.100515 12.490972 BFGS: 226 14:00:15 1141.055801 12.468384 BFGS: 227 14:00:15 1139.018985 12.445814 BFGS: 228 14:00:16 1136.990066 12.423246 BFGS: 229 14:00:16 1134.969036 12.400681 BFGS: 230 14:00:16 1132.955885 12.378145 BFGS: 231 14:00:16 1130.950487 12.355700 BFGS: 232 14:00:17 1128.952623 12.333259 BFGS: 233 14:00:17 1126.962273 12.310824 BFGS: 234 14:00:17 1124.979418 12.288395 BFGS: 235 14:00:18 1123.004029 12.265973 BFGS: 236 14:00:18 1121.036007 12.243565 BFGS: 237 14:00:18 1119.075095 12.221169 BFGS: 238 14:00:18 1117.121240 12.198784 BFGS: 239 14:00:19 1115.174396 12.176410 BFGS: 240 14:00:19 1113.234508 12.154133 BFGS: 241 14:00:19 1111.301506 12.131951 BFGS: 242 14:00:19 1109.375332 12.109781 BFGS: 243 14:00:20 1107.455920 12.087624 BFGS: 244 14:00:20 1105.543202 12.065479 BFGS: 245 14:00:20 1103.637102 12.043345 BFGS: 246 14:00:21 1101.737529 12.021426 BFGS: 247 14:00:21 1099.844357 11.999563 BFGS: 248 14:00:21 1097.957507 11.977708 BFGS: 249 14:00:21 1096.076898 11.955862 BFGS: 250 14:00:22 1094.202455 11.934068 BFGS: 251 14:00:22 1092.334113 11.912292 BFGS: 252 14:00:22 1090.471782 11.890523 BFGS: 253 14:00:22 1088.615356 11.868759 BFGS: 254 14:00:23 1086.764710 11.847151 BFGS: 255 14:00:23 1084.919735 11.825634 BFGS: 256 14:00:23 1083.080349 11.804121 BFGS: 257 14:00:24 1081.246405 11.782675 BFGS: 258 14:00:24 1079.417658 11.761259 BFGS: 259 14:00:24 1077.593974 11.739846 BFGS: 260 14:00:24 1075.775239 11.718435 BFGS: 261 14:00:25 1073.961335 11.697024 BFGS: 262 14:00:25 1072.152146 11.675612 BFGS: 263 14:00:25 1070.347554 11.654197 BFGS: 264 14:00:25 1068.547440 11.632779 BFGS: 265 14:00:26 1066.751685 11.611355 BFGS: 266 14:00:26 1064.960170 11.589925 BFGS: 267 14:00:26 1063.172717 11.568547 BFGS: 268 14:00:27 1061.388839 11.547195 BFGS: 269 14:00:27 1059.608290 11.525967 BFGS: 270 14:00:27 1057.830847 11.504963 BFGS: 271 14:00:27 1056.056325 11.483973 BFGS: 272 14:00:28 1054.284463 11.462990 BFGS: 273 14:00:28 1052.515067 11.441987 BFGS: 274 14:00:28 1050.748031 11.420972 BFGS: 275 14:00:29 1048.983251 11.399969 BFGS: 276 14:00:29 1047.220604 11.379025 BFGS: 277 14:00:29 1045.459872 11.358104 BFGS: 278 14:00:30 1043.700912 11.337152 BFGS: 279 14:00:30 1041.943611 11.316424 BFGS: 280 14:00:30 1040.187883 11.295757 BFGS: 281 14:00:31 1038.433527 11.275065 BFGS: 282 14:00:31 1036.680245 11.254517 BFGS: 283 14:00:31 1034.927984 11.233987 BFGS: 284 14:00:32 1033.176687 11.213410 BFGS: 285 14:00:32 1031.426294 11.192787 BFGS: 286 14:00:32 1029.676722 11.172249 BFGS: 287 14:00:32 1027.927842 11.151745 BFGS: 288 14:00:33 1026.179609 11.131193 BFGS: 289 14:00:33 1024.431938 11.110831 BFGS: 290 14:00:33 1022.684596 11.090597 BFGS: 291 14:00:34 1020.937510 11.070317 BFGS: 292 14:00:34 1019.190657 11.049991 BFGS: 293 14:00:34 1017.444020 11.029617 BFGS: 294 14:00:35 1015.697591 11.009194 BFGS: 295 14:00:35 1013.951371 10.988720 BFGS: 296 14:00:35 1012.205369 10.968212 BFGS: 297 14:00:36 1010.459610 10.947684 BFGS: 298 14:00:36 1008.714082 10.927188 BFGS: 299 14:00:36 1006.968779 10.906637 BFGS: 300 14:00:37 1005.223744 10.886050 BFGS: 301 14:00:37 1003.478926 10.865611 BFGS: 302 14:00:37 1001.734175 10.845132 BFGS: 303 14:00:37 999.989511 10.824719 BFGS: 304 14:00:38 998.244908 10.804287 BFGS: 305 14:00:38 996.499963 10.783812 BFGS: 306 14:00:38 994.754616 10.763288 BFGS: 307 14:00:38 993.009017 10.742763 BFGS: 308 14:00:39 991.263307 10.722207 BFGS: 309 14:00:39 989.517640 10.701695 BFGS: 310 14:00:39 987.772215 10.681279 BFGS: 311 14:00:40 986.027215 10.660947 BFGS: 312 14:00:40 984.282555 10.640558 BFGS: 313 14:00:40 982.538409 10.620114 BFGS: 314 14:00:40 980.794954 10.599616 BFGS: 315 14:00:41 979.052349 10.579265 BFGS: 316 14:00:41 977.310613 10.559062 BFGS: 317 14:00:41 975.569905 10.538899 BFGS: 318 14:00:42 973.830450 10.518689 BFGS: 319 14:00:42 972.092460 10.498435 BFGS: 320 14:00:42 970.356122 10.478301 BFGS: 321 14:00:42 968.621547 10.458252 BFGS: 322 14:00:43 966.889052 10.438164 BFGS: 323 14:00:43 965.158868 10.418038 BFGS: 324 14:00:43 963.431225 10.397875 BFGS: 325 14:00:44 961.706351 10.377679 BFGS: 326 14:00:44 959.984464 10.357558 BFGS: 327 14:00:44 958.265475 10.337773 BFGS: 328 14:00:44 956.549423 10.317961 BFGS: 329 14:00:45 954.836523 10.298126 BFGS: 330 14:00:45 953.126990 10.278287 BFGS: 331 14:00:45 951.421003 10.258504 BFGS: 332 14:00:46 949.718672 10.238849 BFGS: 333 14:00:46 948.020183 10.219231 BFGS: 334 14:00:46 946.325735 10.199601 BFGS: 335 14:00:47 944.635515 10.179963 BFGS: 336 14:00:47 942.949707 10.160320 BFGS: 337 14:00:47 941.268485 10.140673 BFGS: 338 14:00:47 939.592019 10.121026 BFGS: 339 14:00:48 937.920470 10.101381 BFGS: 340 14:00:48 936.253919 10.082118 BFGS: 341 14:00:48 934.592227 10.062944 BFGS: 342 14:00:49 932.935515 10.043775 BFGS: 343 14:00:49 931.283972 10.024730 BFGS: 344 14:00:49 929.637856 10.005759 BFGS: 345 14:00:50 927.997304 9.986802 BFGS: 346 14:00:50 926.362443 9.967860 BFGS: 347 14:00:50 924.733389 9.948935 BFGS: 348 14:00:51 923.110248 9.930029 BFGS: 349 14:00:51 921.493117 9.911143 BFGS: 350 14:00:51 919.882082 9.892279 BFGS: 351 14:00:51 918.277222 9.873439 BFGS: 352 14:00:52 916.678605 9.854624 BFGS: 353 14:00:52 915.086292 9.835835 BFGS: 354 14:00:52 913.500333 9.817073 BFGS: 355 14:00:53 911.920772 9.798340 BFGS: 356 14:00:53 910.347646 9.779650 BFGS: 357 14:00:53 908.780960 9.761221 BFGS: 358 14:00:53 907.220692 9.742877 BFGS: 359 14:00:54 905.666854 9.726439 BFGS: 360 14:00:54 904.119360 9.711080 BFGS: 361 14:00:54 902.578054 9.695601 BFGS: 362 14:00:55 901.042948 9.680029 BFGS: 363 14:00:55 899.514026 9.664355 BFGS: 364 14:00:55 897.991307 9.648570 BFGS: 365 14:00:55 896.474791 9.632674 BFGS: 366 14:00:56 894.964474 9.616669 BFGS: 367 14:00:56 893.460349 9.600557 BFGS: 368 14:00:56 891.962403 9.584341 BFGS: 369 14:00:57 890.470619 9.568021 BFGS: 370 14:00:57 888.984979 9.551600 BFGS: 371 14:00:57 887.505459 9.535081 BFGS: 372 14:00:57 886.032033 9.518464 BFGS: 373 14:00:58 884.564673 9.501754 BFGS: 374 14:00:58 883.103345 9.484970 BFGS: 375 14:00:58 881.647989 9.468141 BFGS: 376 14:00:58 880.198501 9.451924 BFGS: 377 14:00:59 878.754738 9.436009 BFGS: 378 14:00:59 877.316587 9.420048 BFGS: 379 14:00:59 875.883998 9.404035 BFGS: 380 14:01:00 874.456875 9.388226 BFGS: 381 14:01:00 873.035029 9.372335 BFGS: 382 14:01:00 871.618421 9.356364 BFGS: 383 14:01:00 870.207012 9.340315 BFGS: 384 14:01:01 868.800761 9.324190 BFGS: 385 14:01:01 867.399630 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6.334169 0.265491 BFGS: 2975 14:14:47 6.304534 0.265554 BFGS: 2976 14:14:47 6.274956 0.265612 BFGS: 2977 14:14:47 6.245436 0.265665 BFGS: 2978 14:14:48 6.215973 0.265713 BFGS: 2979 14:14:48 6.186568 0.265757 BFGS: 2980 14:14:48 6.157222 0.265796 BFGS: 2981 14:14:48 6.127935 0.265829 BFGS: 2982 14:14:49 6.098707 0.265858 BFGS: 2983 14:14:49 6.069538 0.265882 BFGS: 2984 14:14:49 6.040430 0.265901 BFGS: 2985 14:14:50 6.011382 0.265915 BFGS: 2986 14:14:50 5.982395 0.265924 BFGS: 2987 14:14:50 5.953470 0.265927 BFGS: 2988 14:14:50 5.924605 0.265926 BFGS: 2989 14:14:51 5.895803 0.265919 BFGS: 2990 14:14:51 5.867063 0.265907 BFGS: 2991 14:14:51 5.838386 0.265890 BFGS: 2992 14:14:52 5.809773 0.265867 BFGS: 2993 14:14:52 5.781222 0.265840 BFGS: 2994 14:14:52 5.752736 0.265807 BFGS: 2995 14:14:53 5.724314 0.265768 BFGS: 2996 14:14:53 5.695957 0.265724 BFGS: 2997 14:14:53 5.667665 0.265675 BFGS: 2998 14:14:54 5.639439 0.265620 BFGS: 2999 14:14:54 5.611282 0.265201 BFGS: 3000 14:14:54 5.583210 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2.079510 0.112526 BFGS: 3185 14:15:45 2.068629 0.111296 BFGS: 3186 14:15:46 2.057818 0.110067 BFGS: 3187 14:15:46 2.047077 0.108841 BFGS: 3188 14:15:46 2.036404 0.107617 BFGS: 3189 14:15:46 2.025801 0.106395 BFGS: 3190 14:15:47 2.015265 0.105175 BFGS: 3191 14:15:47 2.004798 0.103958 BFGS: 3192 14:15:47 1.994398 0.102743 BFGS: 3193 14:15:47 1.984066 0.101530 BFGS: 3194 14:15:48 1.973801 0.100320 BFGS: 3195 14:15:48 1.963603 0.099112 BFGS: 3196 14:15:48 1.953470 0.097907 BFGS: 3197 14:15:48 1.943405 0.096704 BFGS: 3198 14:15:49 1.933404 0.095504 BFGS: 3199 14:15:49 1.923470 0.094306 BFGS: 3200 14:15:49 1.913600 0.093111 BFGS: 3201 14:15:49 1.903795 0.091918 BFGS: 3202 14:15:50 1.894054 0.090728 BFGS: 3203 14:15:50 1.884377 0.089541 BFGS: 3204 14:15:50 1.874765 0.088357 BFGS: 3205 14:15:50 1.865218 0.087178 BFGS: 3206 14:15:51 1.855735 0.086002 BFGS: 3207 14:15:51 1.846316 0.084830 BFGS: 3208 14:15:51 1.836960 0.083661 BFGS: 3209 14:15:51 1.827668 0.082862 BFGS: 3210 14:15:52 1.818439 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14:16:06 1.402042 0.082305 BFGS: 3264 14:16:06 1.395280 0.081769 BFGS: 3265 14:16:06 1.388551 0.081229 BFGS: 3266 14:16:06 1.381854 0.080686 BFGS: 3267 14:16:07 1.375191 0.080140 BFGS: 3268 14:16:07 1.368559 0.079590 BFGS: 3269 14:16:07 1.361961 0.079038 BFGS: 3270 14:16:07 1.355394 0.078482 BFGS: 3271 14:16:08 1.348859 0.077924 BFGS: 3272 14:16:08 1.342356 0.077362 BFGS: 3273 14:16:08 1.335885 0.076798 BFGS: 3274 14:16:08 1.329446 0.076232 BFGS: 3275 14:16:09 1.323038 0.075662 BFGS: 3276 14:16:09 1.316661 0.075091 BFGS: 3277 14:16:09 1.310315 0.074516 BFGS: 3278 14:16:09 1.304000 0.073940 BFGS: 3279 14:16:10 1.297716 0.073361 BFGS: 3280 14:16:10 1.291463 0.072780 BFGS: 3281 14:16:10 1.285240 0.072197 BFGS: 3282 14:16:10 1.279048 0.071612 BFGS: 3283 14:16:11 1.272886 0.071348 BFGS: 3284 14:16:11 1.266754 0.071197 BFGS: 3285 14:16:11 1.260653 0.071045 BFGS: 3286 14:16:11 1.254581 0.070892 BFGS: 3287 14:16:12 1.248538 0.070738 BFGS: 3288 14:16:12 1.242526 0.070584 BFGS: 3289 14:16:12 1.236543 0.070428 BFGS: 3290 14:16:12 1.230589 0.070272 BFGS: 3291 14:16:13 1.224665 0.070115 BFGS: 3292 14:16:13 1.218769 0.069958 BFGS: 3293 14:16:13 1.212903 0.069799 BFGS: 3294 14:16:13 1.207065 0.069640 BFGS: 3295 14:16:14 1.201257 0.069480 BFGS: 3296 14:16:14 1.195477 0.069319 BFGS: 3297 14:16:14 1.189725 0.069157 BFGS: 3298 14:16:14 1.184002 0.068995 BFGS: 3299 14:16:15 1.178307 0.068893 BFGS: 3300 14:16:15 1.172640 0.069150 BFGS: 3301 14:16:15 1.167001 0.069404 BFGS: 3302 14:16:15 1.161390 0.069656 BFGS: 3303 14:16:16 1.155807 0.069905 BFGS: 3304 14:16:16 1.150251 0.070151 BFGS: 3305 14:16:16 1.144723 0.070395 BFGS: 3306 14:16:16 1.139222 0.070635 BFGS: 3307 14:16:17 1.133749 0.070873 BFGS: 3308 14:16:17 1.128303 0.071109 BFGS: 3309 14:16:17 1.122884 0.071341 BFGS: 3310 14:16:17 1.117492 0.071571 BFGS: 3311 14:16:18 1.112126 0.071799 BFGS: 3312 14:16:18 1.106788 0.072024 BFGS: 3313 14:16:18 1.101476 0.072246 BFGS: 3314 14:16:19 1.096190 0.072465 BFGS: 3315 14:16:19 1.090931 0.072683 BFGS: 3316 14:16:19 1.085698 0.072897 BFGS: 3317 14:16:19 1.080492 0.073109 BFGS: 3318 14:16:20 1.075311 0.073319 BFGS: 3319 14:16:20 1.070156 0.073526 BFGS: 3320 14:16:20 1.065027 0.073731 BFGS: 3321 14:16:20 1.059924 0.073934 BFGS: 3322 14:16:21 1.054847 0.074134 BFGS: 3323 14:16:21 1.049794 0.074332 BFGS: 3324 14:16:21 1.044768 0.074527 BFGS: 3325 14:16:21 1.039766 0.074720 BFGS: 3326 14:16:22 1.034789 0.074911 BFGS: 3327 14:16:22 1.029838 0.075100 BFGS: 3328 14:16:22 1.024911 0.075286 BFGS: 3329 14:16:22 1.020009 0.075470 BFGS: 3330 14:16:23 1.015132 0.075652 BFGS: 3331 14:16:23 1.010280 0.075832 BFGS: 3332 14:16:23 1.005451 0.076010 BFGS: 3333 14:16:23 1.000648 0.076185 BFGS: 3334 14:16:24 0.995868 0.076359 BFGS: 3335 14:16:24 0.991112 0.076530 BFGS: 3336 14:16:24 0.986381 0.076699 BFGS: 3337 14:16:24 0.981673 0.076866 BFGS: 3338 14:16:25 0.976989 0.077031 BFGS: 3339 14:16:25 0.972329 0.077194 BFGS: 3340 14:16:25 0.967692 0.077355 BFGS: 3341 14:16:25 0.963078 0.077514 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14:16:32 0.846925 0.081109 BFGS: 3369 14:16:33 0.842918 0.081218 BFGS: 3370 14:16:33 0.838933 0.081325 BFGS: 3371 14:16:33 0.834970 0.081430 BFGS: 3372 14:16:33 0.831027 0.081531 BFGS: 3373 14:16:34 0.827106 0.081632 BFGS: 3374 14:16:34 0.823204 0.081732 BFGS: 3375 14:16:34 0.819322 0.081831 BFGS: 3376 14:16:34 0.815461 0.081929 BFGS: 3377 14:16:35 0.811616 0.082027 BFGS: 3378 14:16:35 0.807786 0.082122 BFGS: 3379 14:16:35 0.803972 0.082215 BFGS: 3380 14:16:35 0.800172 0.082305 BFGS: 3381 14:16:36 0.796388 0.082393 BFGS: 3382 14:16:36 0.792618 0.082479 BFGS: 3383 14:16:36 0.788863 0.082563 BFGS: 3384 14:16:36 0.785122 0.082644 BFGS: 3385 14:16:37 0.781395 0.082723 BFGS: 3386 14:16:37 0.777682 0.082800 BFGS: 3387 14:16:37 0.773983 0.082875 BFGS: 3388 14:16:37 0.770297 0.082948 BFGS: 3389 14:16:38 0.766624 0.083019 BFGS: 3390 14:16:38 0.762965 0.083088 BFGS: 3391 14:16:38 0.759318 0.083155 BFGS: 3392 14:16:38 0.755685 0.083220 BFGS: 3393 14:16:38 0.752064 0.083284 BFGS: 3394 14:16:39 0.748455 0.083345 BFGS: 3395 14:16:39 0.744859 0.083405 BFGS: 3396 14:16:39 0.741275 0.083464 BFGS: 3397 14:16:40 0.737704 0.083520 BFGS: 3398 14:16:40 0.734144 0.083575 BFGS: 3399 14:16:40 0.730596 0.083628 BFGS: 3400 14:16:40 0.727059 0.083680 BFGS: 3401 14:16:41 0.723534 0.083730 BFGS: 3402 14:16:41 0.720021 0.083779 BFGS: 3403 14:16:41 0.716519 0.083826 BFGS: 3404 14:16:41 0.713028 0.083872 BFGS: 3405 14:16:42 0.709548 0.083916 BFGS: 3406 14:16:42 0.706079 0.083959 BFGS: 3407 14:16:42 0.702621 0.084000 BFGS: 3408 14:16:43 0.699173 0.084040 BFGS: 3409 14:16:43 0.695736 0.084079 BFGS: 3410 14:16:43 0.692310 0.084116 BFGS: 3411 14:16:43 0.688895 0.084152 BFGS: 3412 14:16:44 0.685489 0.084187 BFGS: 3413 14:16:44 0.682094 0.084220 BFGS: 3414 14:16:44 0.678709 0.084252 BFGS: 3415 14:16:44 0.675334 0.084283 BFGS: 3416 14:16:45 0.671969 0.084313 BFGS: 3417 14:16:45 0.668614 0.084341 BFGS: 3418 14:16:45 0.665270 0.084368 BFGS: 3419 14:16:45 0.661935 0.084394 BFGS: 3420 14:16:46 0.658610 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BFGS: 3552 14:17:18 0.295216 0.080239 BFGS: 3553 14:17:18 0.292995 0.080259 BFGS: 3554 14:17:18 0.290782 0.080276 BFGS: 3555 14:17:19 0.288576 0.080289 BFGS: 3556 14:17:19 0.286379 0.080298 BFGS: 3557 14:17:19 0.284189 0.080304 BFGS: 3558 14:17:19 0.282007 0.080305 BFGS: 3559 14:17:20 0.279834 0.080303 BFGS: 3560 14:17:20 0.277668 0.080297 BFGS: 3561 14:17:20 0.275510 0.080287 BFGS: 3562 14:17:20 0.273360 0.080274 BFGS: 3563 14:17:21 0.271218 0.080256 BFGS: 3564 14:17:21 0.269083 0.080235 BFGS: 3565 14:17:21 0.266957 0.080210 BFGS: 3566 14:17:21 0.264839 0.080181 BFGS: 3567 14:17:22 0.262728 0.080148 BFGS: 3568 14:17:22 0.260626 0.080112 BFGS: 3569 14:17:22 0.258531 0.080071 BFGS: 3570 14:17:22 0.256444 0.080027 BFGS: 3571 14:17:23 0.254366 0.079979 BFGS: 3572 14:17:23 0.252295 0.079927 BFGS: 3573 14:17:23 0.250232 0.079872 BFGS: 3574 14:17:23 0.248177 0.079813 BFGS: 3575 14:17:23 0.246130 0.079749 BFGS: 3576 14:17:24 0.244091 0.079683 BFGS: 3577 14:17:24 0.242060 0.079612 BFGS: 3578 14:17:24 0.240037 0.079538 BFGS: 3579 14:17:24 0.238022 0.079459 BFGS: 3580 14:17:25 0.236015 0.079377 BFGS: 3581 14:17:25 0.234016 0.079292 BFGS: 3582 14:17:25 0.232026 0.079202 BFGS: 3583 14:17:25 0.230043 0.079109 BFGS: 3584 14:17:26 0.228068 0.079012 BFGS: 3585 14:17:26 0.226101 0.078911 BFGS: 3586 14:17:26 0.224143 0.078807 BFGS: 3587 14:17:26 0.222192 0.078699 BFGS: 3588 14:17:27 0.220250 0.078587 BFGS: 3589 14:17:27 0.218316 0.078472 BFGS: 3590 14:17:27 0.216390 0.078352 BFGS: 3591 14:17:27 0.214472 0.078229 BFGS: 3592 14:17:28 0.212562 0.078103 BFGS: 3593 14:17:28 0.210661 0.077972 BFGS: 3594 14:17:28 0.208767 0.077838 BFGS: 3595 14:17:28 0.206882 0.077700 BFGS: 3596 14:17:29 0.205006 0.077559 BFGS: 3597 14:17:29 0.203137 0.077414 BFGS: 3598 14:17:29 0.201277 0.077265 BFGS: 3599 14:17:29 0.199425 0.077113 BFGS: 3600 14:17:30 0.197581 0.076956 BFGS: 3601 14:17:30 0.195746 0.076797 BFGS: 3602 14:17:30 0.193919 0.076633 BFGS: 3603 14:17:30 0.192100 0.076466 BFGS: 3604 14:17:31 0.190290 0.076295 BFGS: 3605 14:17:31 0.188489 0.076121 BFGS: 3606 14:17:31 0.186695 0.075943 BFGS: 3607 14:17:31 0.184911 0.075762 BFGS: 3608 14:17:32 0.183134 0.075576 BFGS: 3609 14:17:32 0.181367 0.075387 BFGS: 3610 14:17:32 0.179607 0.075195 BFGS: 3611 14:17:32 0.177857 0.074999 BFGS: 3612 14:17:33 0.176115 0.074799 BFGS: 3613 14:17:33 0.174381 0.074596 BFGS: 3614 14:17:33 0.172656 0.074389 BFGS: 3615 14:17:33 0.170940 0.074179 BFGS: 3616 14:17:34 0.169233 0.073965 BFGS: 3617 14:17:34 0.167534 0.073747 BFGS: 3618 14:17:34 0.165844 0.073526 BFGS: 3619 14:17:34 0.164163 0.073301 BFGS: 3620 14:17:35 0.162490 0.073073 BFGS: 3621 14:17:35 0.160826 0.072841 BFGS: 3622 14:17:35 0.159172 0.072606 BFGS: 3623 14:17:35 0.157526 0.072367 BFGS: 3624 14:17:36 0.155889 0.072124 BFGS: 3625 14:17:36 0.154260 0.071878 BFGS: 3626 14:17:36 0.152641 0.071629 BFGS: 3627 14:17:36 0.151031 0.071375 BFGS: 3628 14:17:37 0.149430 0.071119 BFGS: 3629 14:17:37 0.147838 0.070858 BFGS: 3630 14:17:37 0.146255 0.070595 BFGS: 3631 14:17:37 0.144681 0.070327 BFGS: 3632 14:17:38 0.143116 0.070056 BFGS: 3633 14:17:38 0.141560 0.069782 BFGS: 3634 14:17:38 0.140013 0.069504 BFGS: 3635 14:17:38 0.138476 0.069223 BFGS: 3636 14:17:39 0.136948 0.068938 BFGS: 3637 14:17:39 0.135429 0.068649 BFGS: 3638 14:17:39 0.133920 0.068357 BFGS: 3639 14:17:39 0.132420 0.068062 BFGS: 3640 14:17:40 0.130929 0.067763 BFGS: 3641 14:17:40 0.129448 0.067461 BFGS: 3642 14:17:40 0.127976 0.067155 BFGS: 3643 14:17:40 0.126514 0.066845 BFGS: 3644 14:17:41 0.125061 0.066532 BFGS: 3645 14:17:41 0.123618 0.066216 BFGS: 3646 14:17:41 0.122184 0.065896 BFGS: 3647 14:17:42 0.120760 0.065572 BFGS: 3648 14:17:42 0.119345 0.065245 BFGS: 3649 14:17:42 0.117941 0.064915 BFGS: 3650 14:17:42 0.116546 0.064581 BFGS: 3651 14:17:43 0.115161 0.064243 BFGS: 3652 14:17:43 0.113785 0.063902 BFGS: 3653 14:17:43 0.112419 0.063558 BFGS: 3654 14:17:43 0.111064 0.063210 BFGS: 3655 14:17:44 0.109718 0.062858 BFGS: 3656 14:17:44 0.108382 0.062504 BFGS: 3657 14:17:44 0.107053 0.062146 BFGS: 3658 14:17:44 0.105733 0.061786 BFGS: 3659 14:17:45 0.104420 0.061424 BFGS: 3660 14:17:45 0.103115 0.061060 BFGS: 3661 14:17:45 0.101817 0.060694 BFGS: 3662 14:17:45 0.100527 0.060327 BFGS: 3663 14:17:46 0.099245 0.059957 BFGS: 3664 14:17:46 0.097971 0.059585 BFGS: 3665 14:17:46 0.096705 0.059212 BFGS: 3666 14:17:46 0.095446 0.058836 BFGS: 3667 14:17:47 0.094195 0.058458 BFGS: 3668 14:17:47 0.092952 0.058079 BFGS: 3669 14:17:47 0.091716 0.057697 BFGS: 3670 14:17:47 0.090489 0.057314 BFGS: 3671 14:17:47 0.089269 0.056929 BFGS: 3672 14:17:48 0.088057 0.056541 BFGS: 3673 14:17:48 0.086853 0.056152 BFGS: 3674 14:17:48 0.085656 0.055761 BFGS: 3675 14:17:48 0.084468 0.055368 BFGS: 3676 14:17:49 0.083287 0.054973 BFGS: 3677 14:17:49 0.082115 0.054576 BFGS: 3678 14:17:49 0.080950 0.054177 BFGS: 3679 14:17:49 0.079793 0.053776 BFGS: 3680 14:17:50 0.078644 0.053374 BFGS: 3681 14:17:50 0.077503 0.052970 BFGS: 3682 14:17:50 0.076370 0.052563 BFGS: 3683 14:17:50 0.075245 0.052155 BFGS: 3684 14:17:51 0.074128 0.051745 BFGS: 3685 14:17:51 0.073019 0.051334 BFGS: 3686 14:17:51 0.071919 0.050920 BFGS: 3687 14:17:51 0.070826 0.050505 BFGS: 3688 14:17:51 0.069741 0.050088 BFGS: 3689 14:17:52 0.068664 0.049669 BFGS: 3690 14:17:52 0.067596 0.049249 BFGS: 3691 14:17:52 0.066535 0.048826 BFGS: 3692 14:17:52 0.065481 0.048403 BFGS: 3693 14:17:53 0.064436 0.047979 BFGS: 3694 14:17:53 0.063397 0.047553 BFGS: 3695 14:17:53 0.062367 0.047127 BFGS: 3696 14:17:53 0.061344 0.046699 BFGS: 3697 14:17:54 0.060328 0.046271 BFGS: 3698 14:17:54 0.059321 0.045841 BFGS: 3699 14:17:54 0.058321 0.045411 BFGS: 3700 14:17:54 0.057329 0.044980 BFGS: 3701 14:17:55 0.056344 0.044548 BFGS: 3702 14:17:55 0.055367 0.044115 BFGS: 3703 14:17:55 0.054399 0.043682 BFGS: 3704 14:17:55 0.053437 0.043248 BFGS: 3705 14:17:55 0.052484 0.042813 BFGS: 3706 14:17:56 0.051539 0.042377 BFGS: 3707 14:17:56 0.050601 0.041941 BFGS: 3708 14:17:56 0.049672 0.041505 BFGS: 3709 14:17:56 0.048750 0.041068 BFGS: 3710 14:17:57 0.047836 0.040631 BFGS: 3711 14:17:57 0.046931 0.040193 BFGS: 3712 14:17:57 0.046033 0.039756 BFGS: 3713 14:17:58 0.045143 0.039318 BFGS: 3714 14:17:58 0.044262 0.038880 BFGS: 3715 14:17:58 0.043389 0.038441 BFGS: 3716 14:17:58 0.042523 0.038003 BFGS: 3717 14:17:59 0.041666 0.037565 BFGS: 3718 14:17:59 0.040817 0.037128 BFGS: 3719 14:17:59 0.039976 0.036692 BFGS: 3720 14:17:59 0.039143 0.036258 BFGS: 3721 14:17:59 0.038320 0.035827 BFGS: 3722 14:18:00 0.037506 0.035397 BFGS: 3723 14:18:00 0.036700 0.034971 BFGS: 3724 14:18:00 0.035904 0.034547 BFGS: 3725 14:18:00 0.035117 0.034126 BFGS: 3726 14:18:01 0.034338 0.033707 BFGS: 3727 14:18:01 0.033569 0.033292 BFGS: 3728 14:18:01 0.032809 0.032879 BFGS: 3729 14:18:01 0.032058 0.032470 BFGS: 3730 14:18:02 0.031316 0.032064 BFGS: 3731 14:18:02 0.030583 0.031661 BFGS: 3732 14:18:02 0.029859 0.031488 BFGS: 3733 14:18:02 0.029145 0.031313 BFGS: 3734 14:18:03 0.028440 0.031136 BFGS: 3735 14:18:03 0.027744 0.030955 BFGS: 3736 14:18:03 0.027058 0.030770 BFGS: 3737 14:18:03 0.026380 0.030583 BFGS: 3738 14:18:04 0.025712 0.030391 BFGS: 3739 14:18:04 0.025055 0.029850 BFGS: 3740 14:18:04 0.024411 0.029302 BFGS: 3741 14:18:04 0.023781 0.028756 BFGS: 3742 14:18:04 0.023163 0.028209 BFGS: 3743 14:18:05 0.022559 0.027664 BFGS: 3744 14:18:05 0.021968 0.027119 BFGS: 3745 14:18:05 0.021391 0.026748 BFGS: 3746 14:18:05 0.020826 0.026477 BFGS: 3747 14:18:06 0.020276 0.026218 BFGS: 3748 14:18:06 0.019738 0.025971 BFGS: 3749 14:18:06 0.019213 0.025737 BFGS: 3750 14:18:07 0.018702 0.025516 BFGS: 3751 14:18:07 0.018205 0.025308 BFGS: 3752 14:18:07 0.017720 0.025113 BFGS: 3753 14:18:07 0.017250 0.024932 BFGS: 3754 14:18:08 0.016794 0.024763 BFGS: 3755 14:18:08 0.016352 0.024608 BFGS: 3756 14:18:08 0.015923 0.024467 BFGS: 3757 14:18:08 0.015508 0.024338 BFGS: 3758 14:18:09 0.015107 0.024223 BFGS: 3759 14:18:09 0.014720 0.024121 BFGS: 3760 14:18:09 0.014346 0.023901 BFGS: 3761 14:18:10 0.013982 0.023669 BFGS: 3762 14:18:10 0.013630 0.023436 BFGS: 3763 14:18:10 0.013288 0.023203 BFGS: 3764 14:18:11 0.012957 0.022969 BFGS: 3765 14:18:11 0.012637 0.022735 BFGS: 3766 14:18:11 0.012328 0.022500 BFGS: 3767 14:18:11 0.012029 0.022264 BFGS: 3768 14:18:12 0.011741 0.022028 BFGS: 3769 14:18:12 0.011463 0.021791 BFGS: 3770 14:18:12 0.011195 0.021553 BFGS: 3771 14:18:13 0.010937 0.021315 BFGS: 3772 14:18:13 0.010690 0.021075 BFGS: 3773 14:18:13 0.010452 0.020835 BFGS: 3774 14:18:13 0.010224 0.020594 BFGS: 3775 14:18:14 0.010006 0.020352 BFGS: 3776 14:18:14 0.009798 0.020109 BFGS: 3777 14:18:14 0.009598 0.019864 BFGS: 3778 14:18:14 0.009409 0.019619 BFGS: 3779 14:18:15 0.009228 0.019372 BFGS: 3780 14:18:15 0.009056 0.019124 BFGS: 3781 14:18:15 0.008893 0.018875 BFGS: 3782 14:18:15 0.008739 0.018624 BFGS: 3783 14:18:16 0.008593 0.018372 BFGS: 3784 14:18:16 0.008455 0.018117 BFGS: 3785 14:18:16 0.008324 0.017861 BFGS: 3786 14:18:17 0.008202 0.017602 BFGS: 3787 14:18:17 0.008086 0.017342 BFGS: 3788 14:18:17 0.007978 0.017078 BFGS: 3789 14:18:17 0.007876 0.016812 BFGS: 3790 14:18:18 0.007779 0.016542 BFGS: 3791 14:18:18 0.007689 0.016269 BFGS: 3792 14:18:18 0.007605 0.015991 BFGS: 3793 14:18:18 0.007524 0.015709 BFGS: 3794 14:18:19 0.007447 0.015422 BFGS: 3795 14:18:19 0.007370 0.015130 BFGS: 3796 14:18:19 0.007295 0.014837 BFGS: 3797 14:18:20 0.007220 0.014542 BFGS: 3798 14:18:20 0.007146 0.014448 BFGS: 3799 14:18:20 0.007070 0.014670 BFGS: 3800 14:18:20 0.006993 0.014889 BFGS: 3801 14:18:21 0.006915 0.015100 BFGS: 3802 14:18:21 0.006833 0.015304 BFGS: 3803 14:18:21 0.006750 0.015496 BFGS: 3804 14:18:21 0.006663 0.015677 BFGS: 3805 14:18:22 0.006572 0.015845 BFGS: 3806 14:18:22 0.006478 0.016000 BFGS: 3807 14:18:22 0.006380 0.016139 BFGS: 3808 14:18:22 0.006278 0.016262 BFGS: 3809 14:18:23 0.006172 0.016369 BFGS: 3810 14:18:23 0.006062 0.016457 BFGS: 3811 14:18:23 0.005947 0.016527 BFGS: 3812 14:18:24 0.005828 0.016576 BFGS: 3813 14:18:24 0.005705 0.016605 BFGS: 3814 14:18:24 0.005577 0.016612 BFGS: 3815 14:18:24 0.005444 0.016596 BFGS: 3816 14:18:25 0.005307 0.016557 BFGS: 3817 14:18:25 0.005166 0.016493 BFGS: 3818 14:18:25 0.005020 0.016402 BFGS: 3819 14:18:25 0.004869 0.016285 BFGS: 3820 14:18:26 0.004715 0.016140 BFGS: 3821 14:18:26 0.004556 0.015964 BFGS: 3822 14:18:26 0.004393 0.015758 BFGS: 3823 14:18:26 0.004226 0.015518 BFGS: 3824 14:18:27 0.004055 0.015244 BFGS: 3825 14:18:27 0.003881 0.014933 BFGS: 3826 14:18:27 0.003703 0.014582 BFGS: 3827 14:18:28 0.003523 0.014189 BFGS: 3828 14:18:28 0.003340 0.013751 BFGS: 3829 14:18:28 0.003154 0.013263 BFGS: 3830 14:18:28 0.002967 0.012722 BFGS: 3831 14:18:29 0.002779 0.012281 BFGS: 3832 14:18:29 0.002589 0.012375 BFGS: 3833 14:18:29 0.002399 0.012440 BFGS: 3834 14:18:29 0.002211 0.012473 BFGS: 3835 14:18:30 0.002026 0.012468 BFGS: 3836 14:18:30 0.001846 0.012417 BFGS: 3837 14:18:30 0.001673 0.012310 BFGS: 3838 14:18:31 0.001507 0.012128 BFGS: 3839 14:18:31 0.001352 0.011841 BFGS: 3840 14:18:31 0.001210 0.011385 BFGS: 3841 14:18:31 0.001082 0.010564 BFGS: 3842 14:18:32 0.000995 0.009643 BFGS: 3843 14:18:32 0.000782 0.006806 BFGS: 3844 14:18:32 0.000649 0.007474 BFGS: 3845 14:18:32 0.000597 0.007187 BFGS: 3846 14:18:33 0.000178 0.003485 BFGS: 3847 14:18:33 0.000119 0.002631 BFGS: 3848 14:18:33 0.000083 0.002442 BFGS: 3849 14:18:33 0.000065 0.002205 BFGS: 3850 14:18:34 0.000050 0.001926 BFGS: 3851 14:18:34 0.000037 0.001641 BFGS: 3852 14:18:34 0.000026 0.001348 BFGS: 3853 14:18:35 0.000017 0.001168 BFGS: 3854 14:18:35 0.000010 0.001022 BFGS: 3855 14:18:35 0.000006 0.000905 BFGS: 3856 14:18:35 0.000004 0.000816 BFGS: 3857 14:18:36 0.000004 0.000769 BFGS: 3858 14:18:36 0.000003 0.000712 BFGS: 3859 14:18:36 0.000002 0.000561 BFGS: 3860 14:18:36 0.000001 0.000387 BFGS: 3861 14:18:37 0.000000 0.000198 BFGS: 3862 14:18:37 0.000000 0.000003 BFGS: 3863 14:18:37 0.000000 0.000000 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