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 16:37:04 1713.657915 19.312091 BFGS: 1 16:37:05 1710.239322 19.269920 BFGS: 2 16:37:05 1706.865030 19.227902 BFGS: 3 16:37:05 1703.528573 19.185970 BFGS: 4 16:37:05 1700.225203 19.144110 BFGS: 5 16:37:06 1696.951332 19.102340 BFGS: 6 16:37:06 1693.704091 19.060673 BFGS: 7 16:37:06 1690.481646 19.019125 BFGS: 8 16:37:06 1687.284892 18.977808 BFGS: 9 16:37:07 1684.112020 18.936770 BFGS: 10 16:37:07 1680.961447 18.895920 BFGS: 11 16:37:07 1677.831819 18.855353 BFGS: 12 16:37:08 1674.721912 18.815127 BFGS: 13 16:37:08 1671.630628 18.775065 BFGS: 14 16:37:08 1668.557019 18.735162 BFGS: 15 16:37:08 1665.500231 18.695415 BFGS: 16 16:37:09 1662.459492 18.655822 BFGS: 17 16:37:09 1659.434100 18.616379 BFGS: 18 16:37:09 1656.423416 18.577080 BFGS: 19 16:37:09 1653.426853 18.537942 BFGS: 20 16:37:10 1650.443861 18.499081 BFGS: 21 16:37:10 1647.473926 18.460353 BFGS: 22 16:37:10 1644.516587 18.421754 BFGS: 23 16:37:11 1641.571414 18.383545 BFGS: 24 16:37:11 1638.637880 18.345593 BFGS: 25 16:37:12 1635.715563 18.307791 BFGS: 26 16:37:12 1632.804112 18.270168 BFGS: 27 16:37:13 1629.903225 18.232663 BFGS: 28 16:37:13 1627.012621 18.195279 BFGS: 29 16:37:13 1624.132054 18.158008 BFGS: 30 16:37:13 1621.261270 18.120845 BFGS: 31 16:37:14 1618.400025 18.083786 BFGS: 32 16:37:14 1615.548090 18.046828 BFGS: 33 16:37:14 1612.705249 18.009967 BFGS: 34 16:37:14 1609.871300 17.973201 BFGS: 35 16:37:14 1607.046050 17.936526 BFGS: 36 16:37:15 1604.229318 17.899940 BFGS: 37 16:37:15 1601.420932 17.863441 BFGS: 38 16:37:15 1598.620730 17.827026 BFGS: 39 16:37:15 1595.828558 17.790693 BFGS: 40 16:37:16 1593.044266 17.754495 BFGS: 41 16:37:16 1590.267699 17.718468 BFGS: 42 16:37:16 1587.498770 17.682537 BFGS: 43 16:37:16 1584.737349 17.647213 BFGS: 44 16:37:17 1581.983134 17.612391 BFGS: 45 16:37:17 1579.235858 17.577809 BFGS: 46 16:37:17 1576.495346 17.543291 BFGS: 47 16:37:17 1573.761485 17.508834 BFGS: 48 16:37:18 1571.034169 17.474449 BFGS: 49 16:37:18 1568.313349 17.440130 BFGS: 50 16:37:18 1565.598930 17.405951 BFGS: 51 16:37:18 1562.890814 17.371878 BFGS: 52 16:37:18 1560.188911 17.337864 BFGS: 53 16:37:19 1557.493133 17.303907 BFGS: 54 16:37:19 1554.803395 17.270007 BFGS: 55 16:37:19 1552.119618 17.236162 BFGS: 56 16:37:19 1549.441722 17.202372 BFGS: 57 16:37:20 1546.769632 17.168635 BFGS: 58 16:37:20 1544.103275 17.134949 BFGS: 59 16:37:20 1541.442582 17.101315 BFGS: 60 16:37:20 1538.787483 17.067732 BFGS: 61 16:37:20 1536.137913 17.034197 BFGS: 62 16:37:21 1533.493807 17.000712 BFGS: 63 16:37:21 1530.855103 16.967274 BFGS: 64 16:37:21 1528.221740 16.933883 BFGS: 65 16:37:21 1525.593658 16.900725 BFGS: 66 16:37:22 1522.970800 16.867728 BFGS: 67 16:37:22 1520.353149 16.834894 BFGS: 68 16:37:22 1517.740591 16.802228 BFGS: 69 16:37:23 1515.133044 16.769604 BFGS: 70 16:37:23 1512.530459 16.737022 BFGS: 71 16:37:23 1509.932782 16.704578 BFGS: 72 16:37:24 1507.339979 16.672197 BFGS: 73 16:37:24 1504.752007 16.639855 BFGS: 74 16:37:25 1502.168815 16.607552 BFGS: 75 16:37:25 1499.590331 16.575545 BFGS: 76 16:37:26 1497.016380 16.543601 BFGS: 77 16:37:26 1494.446915 16.511699 BFGS: 78 16:37:26 1491.881883 16.479978 BFGS: 79 16:37:27 1489.321190 16.448352 BFGS: 80 16:37:27 1486.764775 16.416840 BFGS: 81 16:37:27 1484.212622 16.385397 BFGS: 82 16:37:28 1481.664697 16.353992 BFGS: 83 16:37:28 1479.120940 16.322755 BFGS: 84 16:37:29 1476.581263 16.291633 BFGS: 85 16:37:29 1474.045620 16.260548 BFGS: 86 16:37:29 1471.513967 16.229501 BFGS: 87 16:37:30 1468.986258 16.198489 BFGS: 88 16:37:30 1466.462450 16.167512 BFGS: 89 16:37:31 1463.942494 16.136657 BFGS: 90 16:37:31 1461.426343 16.105845 BFGS: 91 16:37:31 1458.913954 16.075064 BFGS: 92 16:37:32 1456.405283 16.044313 BFGS: 93 16:37:32 1453.900286 16.013592 BFGS: 94 16:37:33 1451.398919 15.982900 BFGS: 95 16:37:33 1448.901138 15.952237 BFGS: 96 16:37:33 1446.406899 15.921601 BFGS: 97 16:37:34 1443.916157 15.890992 BFGS: 98 16:37:34 1441.428854 15.860552 BFGS: 99 16:37:34 1438.944882 15.830226 BFGS: 100 16:37:34 1436.464178 15.799960 BFGS: 101 16:37:34 1433.986707 15.769742 BFGS: 102 16:37:35 1431.512384 15.739642 BFGS: 103 16:37:35 1429.041088 15.709562 BFGS: 104 16:37:35 1426.572770 15.679501 BFGS: 105 16:37:36 1424.107375 15.649460 BFGS: 106 16:37:36 1421.644851 15.619437 BFGS: 107 16:37:36 1419.185147 15.589431 BFGS: 108 16:37:36 1416.728187 15.559673 BFGS: 109 16:37:37 1414.273635 15.530219 BFGS: 110 16:37:37 1411.821248 15.500788 BFGS: 111 16:37:37 1409.370968 15.471377 BFGS: 112 16:37:37 1406.922698 15.442289 BFGS: 113 16:37:37 1404.476307 15.413240 BFGS: 114 16:37:37 1402.031733 15.384231 BFGS: 115 16:37:38 1399.588850 15.355385 BFGS: 116 16:37:38 1397.147471 15.326791 BFGS: 117 16:37:38 1394.707566 15.298222 BFGS: 118 16:37:38 1392.269067 15.269685 BFGS: 119 16:37:38 1389.831889 15.241171 BFGS: 120 16:37:38 1387.395964 15.212674 BFGS: 121 16:37:38 1384.961229 15.184195 BFGS: 122 16:37:38 1382.527612 15.155903 BFGS: 123 16:37:38 1380.094976 15.127766 BFGS: 124 16:37:39 1377.663242 15.099645 BFGS: 125 16:37:39 1375.232365 15.071538 BFGS: 126 16:37:39 1372.802287 15.043589 BFGS: 127 16:37:40 1370.372884 15.015720 BFGS: 128 16:37:40 1367.944099 14.987865 BFGS: 129 16:37:40 1365.515898 14.960021 BFGS: 130 16:37:41 1363.088255 14.932186 BFGS: 131 16:37:42 1360.661144 14.904359 BFGS: 132 16:37:42 1358.234546 14.876538 BFGS: 133 16:37:42 1355.808447 14.848722 BFGS: 134 16:37:43 1353.382836 14.820921 BFGS: 135 16:37:43 1350.957690 14.793278 BFGS: 136 16:37:43 1348.533037 14.765762 BFGS: 137 16:37:43 1346.108726 14.738587 BFGS: 138 16:37:44 1343.684621 14.711413 BFGS: 139 16:37:44 1341.260731 14.684238 BFGS: 140 16:37:45 1338.837071 14.657062 BFGS: 141 16:37:45 1336.413663 14.629883 BFGS: 142 16:37:45 1333.990536 14.602702 BFGS: 143 16:37:45 1331.567723 14.575517 BFGS: 144 16:37:46 1329.145250 14.548529 BFGS: 145 16:37:46 1326.723077 14.521711 BFGS: 146 16:37:47 1324.301244 14.494890 BFGS: 147 16:37:47 1321.879804 14.468063 BFGS: 148 16:37:47 1319.458818 14.441230 BFGS: 149 16:37:48 1317.038352 14.414389 BFGS: 150 16:37:48 1314.618480 14.387539 BFGS: 151 16:37:48 1312.199278 14.360679 BFGS: 152 16:37:48 1309.780830 14.333807 BFGS: 153 16:37:49 1307.363223 14.306937 BFGS: 154 16:37:49 1304.946583 14.280076 BFGS: 155 16:37:49 1302.531016 14.253201 BFGS: 156 16:37:50 1300.116623 14.226310 BFGS: 157 16:37:50 1297.703507 14.199404 BFGS: 158 16:37:51 1295.291776 14.172481 BFGS: 159 16:37:51 1292.881545 14.145541 BFGS: 160 16:37:51 1290.472931 14.118589 BFGS: 161 16:37:52 1288.066066 14.091751 BFGS: 162 16:37:52 1285.661153 14.064900 BFGS: 163 16:37:52 1283.258323 14.038051 BFGS: 164 16:37:53 1280.857710 14.011202 BFGS: 165 16:37:53 1278.459438 13.984515 BFGS: 166 16:37:53 1276.063639 13.958062 BFGS: 167 16:37:54 1273.670422 13.931698 BFGS: 168 16:37:54 1271.279955 13.905368 BFGS: 169 16:37:54 1268.892396 13.879063 BFGS: 170 16:37:55 1266.507796 13.853030 BFGS: 171 16:37:55 1264.126240 13.827045 BFGS: 172 16:37:55 1261.747709 13.801064 BFGS: 173 16:37:55 1259.372222 13.775117 BFGS: 174 16:37:56 1256.999859 13.749203 BFGS: 175 16:37:56 1254.630665 13.723389 BFGS: 176 16:37:56 1252.264680 13.697587 BFGS: 177 16:37:56 1249.901887 13.671837 BFGS: 178 16:37:57 1247.542246 13.646060 BFGS: 179 16:37:57 1245.185927 13.620255 BFGS: 180 16:37:57 1242.833104 13.594425 BFGS: 181 16:37:57 1240.483953 13.568570 BFGS: 182 16:37:58 1238.138651 13.542690 BFGS: 183 16:37:58 1235.797374 13.516868 BFGS: 184 16:37:58 1233.460244 13.491169 BFGS: 185 16:37:58 1231.127417 13.465450 BFGS: 186 16:37:59 1228.799074 13.439710 BFGS: 187 16:37:59 1226.475397 13.413950 BFGS: 188 16:37:59 1224.156564 13.388282 BFGS: 189 16:38:00 1221.842800 13.362642 BFGS: 190 16:38:00 1219.534321 13.337132 BFGS: 191 16:38:00 1217.231366 13.311609 BFGS: 192 16:38:00 1214.934111 13.286075 BFGS: 193 16:38:01 1212.642724 13.260602 BFGS: 194 16:38:01 1210.357368 13.235215 BFGS: 195 16:38:01 1208.078229 13.209821 BFGS: 196 16:38:01 1205.805465 13.184515 BFGS: 197 16:38:02 1203.539226 13.159211 BFGS: 198 16:38:02 1201.279671 13.133901 BFGS: 199 16:38:02 1199.026955 13.108586 BFGS: 200 16:38:02 1196.781232 13.083313 BFGS: 201 16:38:02 1194.542704 13.058147 BFGS: 202 16:38:02 1192.311556 13.032978 BFGS: 203 16:38:02 1190.087889 13.008141 BFGS: 204 16:38:02 1187.871702 12.983876 BFGS: 205 16:38:02 1185.662871 12.959822 BFGS: 206 16:38:02 1183.461452 12.935824 BFGS: 207 16:38:02 1181.267422 12.911854 BFGS: 208 16:38:03 1179.080845 12.887875 BFGS: 209 16:38:03 1176.901829 12.863930 BFGS: 210 16:38:03 1174.730348 12.840263 BFGS: 211 16:38:03 1172.566340 12.816597 BFGS: 212 16:38:03 1170.409912 12.792933 BFGS: 213 16:38:03 1168.261165 12.769270 BFGS: 214 16:38:03 1166.120199 12.745639 BFGS: 215 16:38:03 1163.987113 12.722017 BFGS: 216 16:38:03 1161.861997 12.698400 BFGS: 217 16:38:03 1159.744931 12.674787 BFGS: 218 16:38:03 1157.635991 12.651187 BFGS: 219 16:38:04 1155.535225 12.627760 BFGS: 220 16:38:04 1153.442669 12.604521 BFGS: 221 16:38:04 1151.358289 12.581593 BFGS: 222 16:38:04 1149.282021 12.558906 BFGS: 223 16:38:04 1147.213631 12.536261 BFGS: 224 16:38:04 1145.153125 12.513616 BFGS: 225 16:38:04 1143.100515 12.490972 BFGS: 226 16:38:04 1141.055801 12.468384 BFGS: 227 16:38:05 1139.018985 12.445814 BFGS: 228 16:38:05 1136.990066 12.423246 BFGS: 229 16:38:05 1134.969036 12.400681 BFGS: 230 16:38:05 1132.955885 12.378145 BFGS: 231 16:38:05 1130.950487 12.355700 BFGS: 232 16:38:05 1128.952623 12.333259 BFGS: 233 16:38:05 1126.962273 12.310824 BFGS: 234 16:38:05 1124.979418 12.288395 BFGS: 235 16:38:05 1123.004029 12.265973 BFGS: 236 16:38:06 1121.036007 12.243565 BFGS: 237 16:38:06 1119.075095 12.221169 BFGS: 238 16:38:06 1117.121240 12.198784 BFGS: 239 16:38:06 1115.174396 12.176410 BFGS: 240 16:38:06 1113.234508 12.154133 BFGS: 241 16:38:06 1111.301506 12.131951 BFGS: 242 16:38:06 1109.375332 12.109781 BFGS: 243 16:38:06 1107.455920 12.087624 BFGS: 244 16:38:07 1105.543202 12.065479 BFGS: 245 16:38:07 1103.637102 12.043345 BFGS: 246 16:38:07 1101.737529 12.021426 BFGS: 247 16:38:07 1099.844357 11.999563 BFGS: 248 16:38:07 1097.957507 11.977708 BFGS: 249 16:38:07 1096.076898 11.955862 BFGS: 250 16:38:07 1094.202455 11.934068 BFGS: 251 16:38:07 1092.334113 11.912292 BFGS: 252 16:38:07 1090.471782 11.890523 BFGS: 253 16:38:08 1088.615356 11.868759 BFGS: 254 16:38:08 1086.764710 11.847151 BFGS: 255 16:38:08 1084.919735 11.825634 BFGS: 256 16:38:08 1083.080349 11.804121 BFGS: 257 16:38:08 1081.246405 11.782675 BFGS: 258 16:38:08 1079.417658 11.761259 BFGS: 259 16:38:08 1077.593974 11.739846 BFGS: 260 16:38:08 1075.775239 11.718435 BFGS: 261 16:38:08 1073.961335 11.697024 BFGS: 262 16:38:09 1072.152146 11.675612 BFGS: 263 16:38:09 1070.347554 11.654197 BFGS: 264 16:38:09 1068.547440 11.632779 BFGS: 265 16:38:09 1066.751685 11.611355 BFGS: 266 16:38:09 1064.960170 11.589925 BFGS: 267 16:38:09 1063.172717 11.568547 BFGS: 268 16:38:09 1061.388839 11.547195 BFGS: 269 16:38:10 1059.608290 11.525967 BFGS: 270 16:38:10 1057.830847 11.504963 BFGS: 271 16:38:10 1056.056325 11.483973 BFGS: 272 16:38:10 1054.284463 11.462990 BFGS: 273 16:38:10 1052.515067 11.441987 BFGS: 274 16:38:10 1050.748031 11.420972 BFGS: 275 16:38:11 1048.983251 11.399969 BFGS: 276 16:38:11 1047.220604 11.379025 BFGS: 277 16:38:11 1045.459872 11.358104 BFGS: 278 16:38:11 1043.700912 11.337152 BFGS: 279 16:38:11 1041.943611 11.316424 BFGS: 280 16:38:11 1040.187883 11.295757 BFGS: 281 16:38:12 1038.433527 11.275065 BFGS: 282 16:38:12 1036.680245 11.254517 BFGS: 283 16:38:12 1034.927984 11.233987 BFGS: 284 16:38:12 1033.176687 11.213410 BFGS: 285 16:38:12 1031.426294 11.192787 BFGS: 286 16:38:12 1029.676722 11.172249 BFGS: 287 16:38:12 1027.927842 11.151745 BFGS: 288 16:38:12 1026.179609 11.131193 BFGS: 289 16:38:12 1024.431938 11.110831 BFGS: 290 16:38:13 1022.684596 11.090597 BFGS: 291 16:38:13 1020.937510 11.070317 BFGS: 292 16:38:13 1019.190657 11.049991 BFGS: 293 16:38:13 1017.444020 11.029617 BFGS: 294 16:38:13 1015.697591 11.009194 BFGS: 295 16:38:13 1013.951371 10.988720 BFGS: 296 16:38:13 1012.205369 10.968212 BFGS: 297 16:38:14 1010.459610 10.947684 BFGS: 298 16:38:14 1008.714082 10.927188 BFGS: 299 16:38:14 1006.968779 10.906637 BFGS: 300 16:38:14 1005.223744 10.886050 BFGS: 301 16:38:15 1003.478926 10.865611 BFGS: 302 16:38:15 1001.734175 10.845132 BFGS: 303 16:38:15 999.989511 10.824719 BFGS: 304 16:38:15 998.244908 10.804287 BFGS: 305 16:38:16 996.499963 10.783812 BFGS: 306 16:38:16 994.754616 10.763288 BFGS: 307 16:38:16 993.009017 10.742763 BFGS: 308 16:38:16 991.263307 10.722207 BFGS: 309 16:38:17 989.517640 10.701695 BFGS: 310 16:38:17 987.772215 10.681279 BFGS: 311 16:38:17 986.027215 10.660947 BFGS: 312 16:38:17 984.282555 10.640558 BFGS: 313 16:38:17 982.538409 10.620114 BFGS: 314 16:38:17 980.794954 10.599616 BFGS: 315 16:38:18 979.052349 10.579265 BFGS: 316 16:38:18 977.310613 10.559062 BFGS: 317 16:38:18 975.569905 10.538899 BFGS: 318 16:38:18 973.830450 10.518689 BFGS: 319 16:38:18 972.092460 10.498435 BFGS: 320 16:38:18 970.356122 10.478301 BFGS: 321 16:38:19 968.621547 10.458252 BFGS: 322 16:38:19 966.889052 10.438164 BFGS: 323 16:38:19 965.158868 10.418038 BFGS: 324 16:38:19 963.431225 10.397875 BFGS: 325 16:38:19 961.706351 10.377679 BFGS: 326 16:38:20 959.984464 10.357558 BFGS: 327 16:38:20 958.265475 10.337773 BFGS: 328 16:38:20 956.549423 10.317961 BFGS: 329 16:38:20 954.836523 10.298126 BFGS: 330 16:38:20 953.126990 10.278287 BFGS: 331 16:38:20 951.421003 10.258504 BFGS: 332 16:38:21 949.718672 10.238849 BFGS: 333 16:38:21 948.020183 10.219231 BFGS: 334 16:38:21 946.325735 10.199601 BFGS: 335 16:38:21 944.635515 10.179963 BFGS: 336 16:38:21 942.949707 10.160320 BFGS: 337 16:38:21 941.268485 10.140673 BFGS: 338 16:38:21 939.592019 10.121026 BFGS: 339 16:38:22 937.920470 10.101381 BFGS: 340 16:38:22 936.253919 10.082118 BFGS: 341 16:38:22 934.592227 10.062944 BFGS: 342 16:38:22 932.935515 10.043775 BFGS: 343 16:38:22 931.283972 10.024730 BFGS: 344 16:38:22 929.637856 10.005759 BFGS: 345 16:38:22 927.997304 9.986802 BFGS: 346 16:38:23 926.362443 9.967860 BFGS: 347 16:38:23 924.733389 9.948935 BFGS: 348 16:38:23 923.110248 9.930029 BFGS: 349 16:38:23 921.493117 9.911143 BFGS: 350 16:38:23 919.882082 9.892279 BFGS: 351 16:38:23 918.277222 9.873439 BFGS: 352 16:38:23 916.678605 9.854624 BFGS: 353 16:38:23 915.086292 9.835835 BFGS: 354 16:38:23 913.500333 9.817073 BFGS: 355 16:38:24 911.920772 9.798340 BFGS: 356 16:38:24 910.347646 9.779650 BFGS: 357 16:38:24 908.780960 9.761221 BFGS: 358 16:38:24 907.220692 9.742877 BFGS: 359 16:38:24 905.666854 9.726439 BFGS: 360 16:38:24 904.119360 9.711080 BFGS: 361 16:38:24 902.578054 9.695601 BFGS: 362 16:38:24 901.042948 9.680029 BFGS: 363 16:38:24 899.514026 9.664355 BFGS: 364 16:38:25 897.991307 9.648570 BFGS: 365 16:38:25 896.474791 9.632674 BFGS: 366 16:38:25 894.964474 9.616669 BFGS: 367 16:38:25 893.460349 9.600557 BFGS: 368 16:38:25 891.962403 9.584341 BFGS: 369 16:38:25 890.470619 9.568021 BFGS: 370 16:38:25 888.984979 9.551600 BFGS: 371 16:38:26 887.505459 9.535081 BFGS: 372 16:38:26 886.032033 9.518464 BFGS: 373 16:38:26 884.564673 9.501754 BFGS: 374 16:38:26 883.103345 9.484970 BFGS: 375 16:38:26 881.647989 9.468141 BFGS: 376 16:38:27 880.198501 9.451924 BFGS: 377 16:38:27 878.754738 9.436009 BFGS: 378 16:38:27 877.316587 9.420048 BFGS: 379 16:38:27 875.883998 9.404035 BFGS: 380 16:38:27 874.456875 9.388226 BFGS: 381 16:38:27 873.035029 9.372335 BFGS: 382 16:38:27 871.618421 9.356364 BFGS: 383 16:38:27 870.207012 9.340315 BFGS: 384 16:38:28 868.800761 9.324190 BFGS: 385 16:38:28 867.399630 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16:39:28 475.893458 4.942309 BFGS: 769 16:39:28 475.096780 4.934619 BFGS: 770 16:39:28 474.301896 4.926992 BFGS: 771 16:39:28 473.508838 4.919357 BFGS: 772 16:39:28 472.717628 4.911714 BFGS: 773 16:39:28 471.928284 4.904064 BFGS: 774 16:39:28 471.140828 4.896406 BFGS: 775 16:39:29 470.355271 4.888802 BFGS: 776 16:39:29 469.571598 4.881217 BFGS: 777 16:39:29 468.789823 4.873626 BFGS: 778 16:39:29 468.009967 4.866028 BFGS: 779 16:39:29 467.232048 4.858423 BFGS: 780 16:39:29 466.456086 4.850813 BFGS: 781 16:39:29 465.682100 4.843196 BFGS: 782 16:39:29 464.910108 4.835575 BFGS: 783 16:39:29 464.140079 4.828026 BFGS: 784 16:39:30 463.371894 4.820500 BFGS: 785 16:39:30 462.605576 4.812972 BFGS: 786 16:39:30 461.841144 4.805440 BFGS: 787 16:39:30 461.078614 4.797907 BFGS: 788 16:39:30 460.318005 4.790376 BFGS: 789 16:39:30 459.559326 4.782942 BFGS: 790 16:39:30 458.802600 4.775505 BFGS: 791 16:39:30 458.047844 4.768067 BFGS: 792 16:39:31 457.295073 4.760641 BFGS: 793 16:39:31 456.544287 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9.717418 0.239054 BFGS: 2870 16:42:31 9.682848 0.239440 BFGS: 2871 16:42:32 9.648322 0.239825 BFGS: 2872 16:42:32 9.613839 0.240208 BFGS: 2873 16:42:32 9.579399 0.240589 BFGS: 2874 16:42:32 9.545002 0.240969 BFGS: 2875 16:42:32 9.510649 0.241347 BFGS: 2876 16:42:32 9.476338 0.241723 BFGS: 2877 16:42:32 9.442071 0.242097 BFGS: 2878 16:42:32 9.407848 0.242469 BFGS: 2879 16:42:32 9.373668 0.242840 BFGS: 2880 16:42:32 9.339531 0.243209 BFGS: 2881 16:42:32 9.305438 0.243575 BFGS: 2882 16:42:32 9.271388 0.243940 BFGS: 2883 16:42:32 9.237382 0.244303 BFGS: 2884 16:42:32 9.203420 0.244664 BFGS: 2885 16:42:32 9.169501 0.245022 BFGS: 2886 16:42:33 9.135626 0.245379 BFGS: 2887 16:42:33 9.101795 0.245734 BFGS: 2888 16:42:33 9.068008 0.246087 BFGS: 2889 16:42:33 9.034265 0.246437 BFGS: 2890 16:42:33 9.000566 0.246785 BFGS: 2891 16:42:33 8.966911 0.247131 BFGS: 2892 16:42:33 8.933300 0.247475 BFGS: 2893 16:42:33 8.899734 0.247817 BFGS: 2894 16:42:33 8.866212 0.248156 BFGS: 2895 16:42:33 8.832735 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6.334169 0.265491 BFGS: 2975 16:42:38 6.304534 0.265554 BFGS: 2976 16:42:38 6.274956 0.265612 BFGS: 2977 16:42:38 6.245436 0.265665 BFGS: 2978 16:42:38 6.215973 0.265713 BFGS: 2979 16:42:38 6.186568 0.265757 BFGS: 2980 16:42:38 6.157222 0.265796 BFGS: 2981 16:42:38 6.127935 0.265829 BFGS: 2982 16:42:38 6.098707 0.265858 BFGS: 2983 16:42:38 6.069538 0.265882 BFGS: 2984 16:42:39 6.040430 0.265901 BFGS: 2985 16:42:39 6.011382 0.265915 BFGS: 2986 16:42:39 5.982395 0.265924 BFGS: 2987 16:42:39 5.953470 0.265927 BFGS: 2988 16:42:39 5.924605 0.265926 BFGS: 2989 16:42:39 5.895803 0.265919 BFGS: 2990 16:42:39 5.867063 0.265907 BFGS: 2991 16:42:39 5.838386 0.265890 BFGS: 2992 16:42:39 5.809773 0.265867 BFGS: 2993 16:42:39 5.781222 0.265840 BFGS: 2994 16:42:39 5.752736 0.265807 BFGS: 2995 16:42:39 5.724314 0.265768 BFGS: 2996 16:42:39 5.695957 0.265724 BFGS: 2997 16:42:39 5.667665 0.265675 BFGS: 2998 16:42:39 5.639439 0.265620 BFGS: 2999 16:42:39 5.611282 0.265201 BFGS: 3000 16:42:39 5.583210 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16:42:42 4.232737 0.229394 BFGS: 3054 16:42:42 4.210104 0.228750 BFGS: 3055 16:42:42 4.187577 0.228101 BFGS: 3056 16:42:42 4.165156 0.227448 BFGS: 3057 16:42:42 4.142840 0.226790 BFGS: 3058 16:42:42 4.120629 0.226128 BFGS: 3059 16:42:42 4.098523 0.225460 BFGS: 3060 16:42:42 4.076522 0.224789 BFGS: 3061 16:42:42 4.054625 0.224112 BFGS: 3062 16:42:42 4.032833 0.223431 BFGS: 3063 16:42:42 4.011145 0.222745 BFGS: 3064 16:42:42 3.989561 0.222054 BFGS: 3065 16:42:42 3.968081 0.221359 BFGS: 3066 16:42:42 3.946705 0.220659 BFGS: 3067 16:42:42 3.925432 0.219954 BFGS: 3068 16:42:42 3.904263 0.219245 BFGS: 3069 16:42:42 3.883198 0.218531 BFGS: 3070 16:42:42 3.862236 0.217812 BFGS: 3071 16:42:42 3.841377 0.217088 BFGS: 3072 16:42:42 3.820621 0.216359 BFGS: 3073 16:42:42 3.799969 0.215626 BFGS: 3074 16:42:43 3.779419 0.214888 BFGS: 3075 16:42:43 3.758972 0.214145 BFGS: 3076 16:42:43 3.738628 0.213397 BFGS: 3077 16:42:43 3.718387 0.212645 BFGS: 3078 16:42:43 3.698248 0.211888 BFGS: 3079 16:42:43 3.678206 0.211126 BFGS: 3080 16:42:43 3.658263 0.210362 BFGS: 3081 16:42:43 3.638420 0.209594 BFGS: 3082 16:42:43 3.618676 0.208824 BFGS: 3083 16:42:43 3.599030 0.208051 BFGS: 3084 16:42:43 3.579482 0.207275 BFGS: 3085 16:42:43 3.560032 0.206497 BFGS: 3086 16:42:43 3.540679 0.205715 BFGS: 3087 16:42:43 3.521424 0.204930 BFGS: 3088 16:42:43 3.502265 0.204142 BFGS: 3089 16:42:43 3.483202 0.203352 BFGS: 3090 16:42:43 3.464236 0.202558 BFGS: 3091 16:42:43 3.445366 0.201761 BFGS: 3092 16:42:43 3.426591 0.200962 BFGS: 3093 16:42:43 3.407911 0.200159 BFGS: 3094 16:42:43 3.389326 0.199353 BFGS: 3095 16:42:44 3.370836 0.198545 BFGS: 3096 16:42:44 3.352441 0.197733 BFGS: 3097 16:42:44 3.334140 0.196918 BFGS: 3098 16:42:44 3.315932 0.196100 BFGS: 3099 16:42:44 3.297819 0.195280 BFGS: 3100 16:42:44 3.279799 0.194456 BFGS: 3101 16:42:44 3.261873 0.193629 BFGS: 3102 16:42:44 3.244039 0.192799 BFGS: 3103 16:42:44 3.226299 0.191966 BFGS: 3104 16:42:44 3.208651 0.191131 BFGS: 3105 16:42:44 3.191095 0.190292 BFGS: 3106 16:42:44 3.173632 0.189450 BFGS: 3107 16:42:44 3.156262 0.188606 BFGS: 3108 16:42:44 3.138983 0.187758 BFGS: 3109 16:42:44 3.121795 0.186908 BFGS: 3110 16:42:44 3.104700 0.186054 BFGS: 3111 16:42:44 3.087696 0.185198 BFGS: 3112 16:42:44 3.070782 0.184339 BFGS: 3113 16:42:44 3.053960 0.183477 BFGS: 3114 16:42:44 3.037227 0.182611 BFGS: 3115 16:42:44 3.020585 0.181743 BFGS: 3116 16:42:44 3.004033 0.180871 BFGS: 3117 16:42:44 2.987570 0.179995 BFGS: 3118 16:42:44 2.971198 0.179117 BFGS: 3119 16:42:44 2.954915 0.178236 BFGS: 3120 16:42:44 2.938721 0.177351 BFGS: 3121 16:42:44 2.922616 0.176464 BFGS: 3122 16:42:44 2.906601 0.175573 BFGS: 3123 16:42:44 2.890674 0.174680 BFGS: 3124 16:42:44 2.874836 0.173783 BFGS: 3125 16:42:44 2.859086 0.172884 BFGS: 3126 16:42:44 2.843424 0.171981 BFGS: 3127 16:42:45 2.827850 0.171075 BFGS: 3128 16:42:45 2.812363 0.170166 BFGS: 3129 16:42:45 2.796965 0.169253 BFGS: 3130 16:42:45 2.781654 0.168338 BFGS: 3131 16:42:45 2.766431 0.167419 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2.079510 0.112526 BFGS: 3185 16:42:46 2.068629 0.111296 BFGS: 3186 16:42:46 2.057818 0.110067 BFGS: 3187 16:42:46 2.047077 0.108841 BFGS: 3188 16:42:46 2.036404 0.107617 BFGS: 3189 16:42:46 2.025801 0.106395 BFGS: 3190 16:42:46 2.015265 0.105175 BFGS: 3191 16:42:46 2.004798 0.103958 BFGS: 3192 16:42:46 1.994398 0.102743 BFGS: 3193 16:42:46 1.984066 0.101530 BFGS: 3194 16:42:46 1.973801 0.100320 BFGS: 3195 16:42:46 1.963603 0.099112 BFGS: 3196 16:42:46 1.953470 0.097907 BFGS: 3197 16:42:46 1.943405 0.096704 BFGS: 3198 16:42:46 1.933404 0.095504 BFGS: 3199 16:42:46 1.923470 0.094306 BFGS: 3200 16:42:46 1.913600 0.093111 BFGS: 3201 16:42:47 1.903795 0.091918 BFGS: 3202 16:42:47 1.894054 0.090728 BFGS: 3203 16:42:47 1.884377 0.089541 BFGS: 3204 16:42:47 1.874765 0.088357 BFGS: 3205 16:42:47 1.865218 0.087178 BFGS: 3206 16:42:47 1.855735 0.086002 BFGS: 3207 16:42:47 1.846316 0.084830 BFGS: 3208 16:42:47 1.836960 0.083661 BFGS: 3209 16:42:47 1.827668 0.082862 BFGS: 3210 16:42:47 1.818439 0.082691 BFGS: 3211 16:42:47 1.809273 0.082520 BFGS: 3212 16:42:47 1.800169 0.082347 BFGS: 3213 16:42:47 1.791127 0.082173 BFGS: 3214 16:42:47 1.782147 0.081999 BFGS: 3215 16:42:47 1.773228 0.081823 BFGS: 3216 16:42:47 1.764370 0.081646 BFGS: 3217 16:42:47 1.755573 0.081651 BFGS: 3218 16:42:47 1.746836 0.081787 BFGS: 3219 16:42:47 1.738159 0.081918 BFGS: 3220 16:42:47 1.729537 0.082045 BFGS: 3221 16:42:47 1.720967 0.082167 BFGS: 3222 16:42:47 1.712448 0.082283 BFGS: 3223 16:42:47 1.703979 0.082394 BFGS: 3224 16:42:47 1.695560 0.082499 BFGS: 3225 16:42:47 1.687191 0.082600 BFGS: 3226 16:42:47 1.678871 0.082694 BFGS: 3227 16:42:47 1.670601 0.082784 BFGS: 3228 16:42:47 1.662379 0.082868 BFGS: 3229 16:42:47 1.654205 0.082946 BFGS: 3230 16:42:47 1.646079 0.083020 BFGS: 3231 16:42:47 1.638000 0.083088 BFGS: 3232 16:42:47 1.629969 0.083151 BFGS: 3233 16:42:48 1.621984 0.083209 BFGS: 3234 16:42:48 1.614045 0.083262 BFGS: 3235 16:42:48 1.606153 0.083310 BFGS: 3236 16:42:48 1.598306 0.083352 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16:42:49 1.402042 0.082305 BFGS: 3264 16:42:49 1.395280 0.081769 BFGS: 3265 16:42:49 1.388551 0.081229 BFGS: 3266 16:42:49 1.381854 0.080686 BFGS: 3267 16:42:49 1.375191 0.080140 BFGS: 3268 16:42:49 1.368559 0.079590 BFGS: 3269 16:42:49 1.361961 0.079038 BFGS: 3270 16:42:49 1.355394 0.078482 BFGS: 3271 16:42:49 1.348859 0.077924 BFGS: 3272 16:42:49 1.342356 0.077362 BFGS: 3273 16:42:49 1.335885 0.076798 BFGS: 3274 16:42:49 1.329446 0.076232 BFGS: 3275 16:42:49 1.323038 0.075662 BFGS: 3276 16:42:49 1.316661 0.075091 BFGS: 3277 16:42:49 1.310315 0.074516 BFGS: 3278 16:42:49 1.304000 0.073940 BFGS: 3279 16:42:49 1.297716 0.073361 BFGS: 3280 16:42:49 1.291463 0.072780 BFGS: 3281 16:42:49 1.285240 0.072197 BFGS: 3282 16:42:49 1.279048 0.071612 BFGS: 3283 16:42:49 1.272886 0.071348 BFGS: 3284 16:42:49 1.266754 0.071197 BFGS: 3285 16:42:49 1.260653 0.071045 BFGS: 3286 16:42:49 1.254581 0.070892 BFGS: 3287 16:42:49 1.248538 0.070738 BFGS: 3288 16:42:49 1.242526 0.070584 BFGS: 3289 16:42:49 1.236543 0.070428 BFGS: 3290 16:42:49 1.230589 0.070272 BFGS: 3291 16:42:49 1.224665 0.070115 BFGS: 3292 16:42:49 1.218769 0.069958 BFGS: 3293 16:42:50 1.212903 0.069799 BFGS: 3294 16:42:50 1.207065 0.069640 BFGS: 3295 16:42:50 1.201257 0.069480 BFGS: 3296 16:42:50 1.195477 0.069319 BFGS: 3297 16:42:50 1.189725 0.069157 BFGS: 3298 16:42:50 1.184002 0.068995 BFGS: 3299 16:42:50 1.178307 0.068893 BFGS: 3300 16:42:50 1.172640 0.069150 BFGS: 3301 16:42:50 1.167001 0.069404 BFGS: 3302 16:42:50 1.161390 0.069656 BFGS: 3303 16:42:50 1.155807 0.069905 BFGS: 3304 16:42:50 1.150251 0.070151 BFGS: 3305 16:42:50 1.144723 0.070395 BFGS: 3306 16:42:50 1.139222 0.070635 BFGS: 3307 16:42:50 1.133749 0.070873 BFGS: 3308 16:42:50 1.128303 0.071109 BFGS: 3309 16:42:50 1.122884 0.071341 BFGS: 3310 16:42:50 1.117492 0.071571 BFGS: 3311 16:42:50 1.112126 0.071799 BFGS: 3312 16:42:50 1.106788 0.072024 BFGS: 3313 16:42:50 1.101476 0.072246 BFGS: 3314 16:42:50 1.096190 0.072465 BFGS: 3315 16:42:50 1.090931 0.072683 BFGS: 3316 16:42:50 1.085698 0.072897 BFGS: 3317 16:42:50 1.080492 0.073109 BFGS: 3318 16:42:50 1.075311 0.073319 BFGS: 3319 16:42:50 1.070156 0.073526 BFGS: 3320 16:42:50 1.065027 0.073731 BFGS: 3321 16:42:50 1.059924 0.073934 BFGS: 3322 16:42:50 1.054847 0.074134 BFGS: 3323 16:42:50 1.049794 0.074332 BFGS: 3324 16:42:50 1.044768 0.074527 BFGS: 3325 16:42:50 1.039766 0.074720 BFGS: 3326 16:42:50 1.034789 0.074911 BFGS: 3327 16:42:50 1.029838 0.075100 BFGS: 3328 16:42:50 1.024911 0.075286 BFGS: 3329 16:42:50 1.020009 0.075470 BFGS: 3330 16:42:50 1.015132 0.075652 BFGS: 3331 16:42:50 1.010280 0.075832 BFGS: 3332 16:42:50 1.005451 0.076010 BFGS: 3333 16:42:50 1.000648 0.076185 BFGS: 3334 16:42:50 0.995868 0.076359 BFGS: 3335 16:42:50 0.991112 0.076530 BFGS: 3336 16:42:51 0.986381 0.076699 BFGS: 3337 16:42:51 0.981673 0.076866 BFGS: 3338 16:42:51 0.976989 0.077031 BFGS: 3339 16:42:51 0.972329 0.077194 BFGS: 3340 16:42:51 0.967692 0.077355 BFGS: 3341 16:42:51 0.963078 0.077514 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16:42:51 0.846925 0.081109 BFGS: 3369 16:42:51 0.842918 0.081218 BFGS: 3370 16:42:51 0.838933 0.081325 BFGS: 3371 16:42:51 0.834970 0.081430 BFGS: 3372 16:42:51 0.831027 0.081531 BFGS: 3373 16:42:51 0.827106 0.081632 BFGS: 3374 16:42:51 0.823204 0.081732 BFGS: 3375 16:42:52 0.819322 0.081831 BFGS: 3376 16:42:52 0.815461 0.081929 BFGS: 3377 16:42:52 0.811616 0.082027 BFGS: 3378 16:42:52 0.807786 0.082122 BFGS: 3379 16:42:52 0.803972 0.082215 BFGS: 3380 16:42:52 0.800172 0.082305 BFGS: 3381 16:42:52 0.796388 0.082393 BFGS: 3382 16:42:52 0.792618 0.082479 BFGS: 3383 16:42:52 0.788863 0.082563 BFGS: 3384 16:42:52 0.785122 0.082644 BFGS: 3385 16:42:52 0.781395 0.082723 BFGS: 3386 16:42:52 0.777682 0.082800 BFGS: 3387 16:42:52 0.773983 0.082875 BFGS: 3388 16:42:52 0.770297 0.082948 BFGS: 3389 16:42:52 0.766624 0.083019 BFGS: 3390 16:42:52 0.762965 0.083088 BFGS: 3391 16:42:52 0.759318 0.083155 BFGS: 3392 16:42:52 0.755685 0.083220 BFGS: 3393 16:42:52 0.752064 0.083284 BFGS: 3394 16:42:52 0.748455 0.083345 BFGS: 3395 16:42:52 0.744859 0.083405 BFGS: 3396 16:42:52 0.741275 0.083464 BFGS: 3397 16:42:52 0.737704 0.083520 BFGS: 3398 16:42:52 0.734144 0.083575 BFGS: 3399 16:42:52 0.730596 0.083628 BFGS: 3400 16:42:52 0.727059 0.083680 BFGS: 3401 16:42:52 0.723534 0.083730 BFGS: 3402 16:42:52 0.720021 0.083779 BFGS: 3403 16:42:52 0.716519 0.083826 BFGS: 3404 16:42:52 0.713028 0.083872 BFGS: 3405 16:42:52 0.709548 0.083916 BFGS: 3406 16:42:52 0.706079 0.083959 BFGS: 3407 16:42:53 0.702621 0.084000 BFGS: 3408 16:42:53 0.699173 0.084040 BFGS: 3409 16:42:53 0.695736 0.084079 BFGS: 3410 16:42:53 0.692310 0.084116 BFGS: 3411 16:42:53 0.688895 0.084152 BFGS: 3412 16:42:53 0.685489 0.084187 BFGS: 3413 16:42:53 0.682094 0.084220 BFGS: 3414 16:42:53 0.678709 0.084252 BFGS: 3415 16:42:53 0.675334 0.084283 BFGS: 3416 16:42:53 0.671969 0.084313 BFGS: 3417 16:42:53 0.668614 0.084341 BFGS: 3418 16:42:53 0.665270 0.084368 BFGS: 3419 16:42:53 0.661935 0.084394 BFGS: 3420 16:42:53 0.658610 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0.424426 0.074242 BFGS: 3500 16:42:55 0.421783 0.074445 BFGS: 3501 16:42:55 0.419148 0.074644 BFGS: 3502 16:42:55 0.416520 0.074838 BFGS: 3503 16:42:55 0.413900 0.075028 BFGS: 3504 16:42:55 0.411288 0.075214 BFGS: 3505 16:42:55 0.408684 0.075396 BFGS: 3506 16:42:55 0.406087 0.075574 BFGS: 3507 16:42:55 0.403498 0.075747 BFGS: 3508 16:42:55 0.400917 0.075917 BFGS: 3509 16:42:56 0.398344 0.076082 BFGS: 3510 16:42:56 0.395778 0.076243 BFGS: 3511 16:42:56 0.393220 0.076401 BFGS: 3512 16:42:56 0.390669 0.076554 BFGS: 3513 16:42:56 0.388126 0.076703 BFGS: 3514 16:42:56 0.385591 0.076848 BFGS: 3515 16:42:56 0.383063 0.076989 BFGS: 3516 16:42:56 0.380543 0.077126 BFGS: 3517 16:42:56 0.378031 0.077259 BFGS: 3518 16:42:56 0.375526 0.077389 BFGS: 3519 16:42:56 0.373029 0.077514 BFGS: 3520 16:42:56 0.370539 0.077636 BFGS: 3521 16:42:56 0.368057 0.077753 BFGS: 3522 16:42:56 0.365583 0.077877 BFGS: 3523 16:42:56 0.363119 0.078008 BFGS: 3524 16:42:56 0.360663 0.078135 BFGS: 3525 16:42:56 0.358216 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BFGS: 3552 16:42:56 0.295216 0.080239 BFGS: 3553 16:42:56 0.292995 0.080259 BFGS: 3554 16:42:56 0.290782 0.080276 BFGS: 3555 16:42:56 0.288576 0.080289 BFGS: 3556 16:42:56 0.286379 0.080298 BFGS: 3557 16:42:57 0.284189 0.080304 BFGS: 3558 16:42:57 0.282007 0.080305 BFGS: 3559 16:42:57 0.279834 0.080303 BFGS: 3560 16:42:57 0.277668 0.080297 BFGS: 3561 16:42:57 0.275510 0.080287 BFGS: 3562 16:42:57 0.273360 0.080274 BFGS: 3563 16:42:57 0.271218 0.080256 BFGS: 3564 16:42:57 0.269083 0.080235 BFGS: 3565 16:42:57 0.266957 0.080210 BFGS: 3566 16:42:57 0.264839 0.080181 BFGS: 3567 16:42:57 0.262728 0.080148 BFGS: 3568 16:42:57 0.260626 0.080112 BFGS: 3569 16:42:57 0.258531 0.080071 BFGS: 3570 16:42:57 0.256444 0.080027 BFGS: 3571 16:42:57 0.254366 0.079979 BFGS: 3572 16:42:57 0.252295 0.079927 BFGS: 3573 16:42:57 0.250232 0.079872 BFGS: 3574 16:42:57 0.248177 0.079813 BFGS: 3575 16:42:57 0.246130 0.079749 BFGS: 3576 16:42:57 0.244091 0.079683 BFGS: 3577 16:42:57 0.242060 0.079612 BFGS: 3578 16:42:57 0.240037 0.079538 BFGS: 3579 16:42:57 0.238022 0.079459 BFGS: 3580 16:42:57 0.236015 0.079377 BFGS: 3581 16:42:57 0.234016 0.079292 BFGS: 3582 16:42:57 0.232026 0.079202 BFGS: 3583 16:42:57 0.230043 0.079109 BFGS: 3584 16:42:57 0.228068 0.079012 BFGS: 3585 16:42:57 0.226101 0.078911 BFGS: 3586 16:42:57 0.224143 0.078807 BFGS: 3587 16:42:57 0.222192 0.078699 BFGS: 3588 16:42:57 0.220250 0.078587 BFGS: 3589 16:42:57 0.218316 0.078472 BFGS: 3590 16:42:57 0.216390 0.078352 BFGS: 3591 16:42:57 0.214472 0.078229 BFGS: 3592 16:42:57 0.212562 0.078103 BFGS: 3593 16:42:57 0.210661 0.077972 BFGS: 3594 16:42:57 0.208767 0.077838 BFGS: 3595 16:42:57 0.206882 0.077700 BFGS: 3596 16:42:57 0.205006 0.077559 BFGS: 3597 16:42:57 0.203137 0.077414 BFGS: 3598 16:42:57 0.201277 0.077265 BFGS: 3599 16:42:57 0.199425 0.077113 BFGS: 3600 16:42:57 0.197581 0.076956 BFGS: 3601 16:42:57 0.195746 0.076797 BFGS: 3602 16:42:58 0.193919 0.076633 BFGS: 3603 16:42:58 0.192100 0.076466 BFGS: 3604 16:42:58 0.190290 0.076295 BFGS: 3605 16:42:58 0.188489 0.076121 BFGS: 3606 16:42:58 0.186695 0.075943 BFGS: 3607 16:42:58 0.184911 0.075762 BFGS: 3608 16:42:58 0.183134 0.075576 BFGS: 3609 16:42:58 0.181367 0.075387 BFGS: 3610 16:42:58 0.179607 0.075195 BFGS: 3611 16:42:58 0.177857 0.074999 BFGS: 3612 16:42:58 0.176115 0.074799 BFGS: 3613 16:42:58 0.174381 0.074596 BFGS: 3614 16:42:58 0.172656 0.074389 BFGS: 3615 16:42:58 0.170940 0.074179 BFGS: 3616 16:42:58 0.169233 0.073965 BFGS: 3617 16:42:58 0.167534 0.073747 BFGS: 3618 16:42:58 0.165844 0.073526 BFGS: 3619 16:42:58 0.164163 0.073301 BFGS: 3620 16:42:58 0.162490 0.073073 BFGS: 3621 16:42:58 0.160826 0.072841 BFGS: 3622 16:42:58 0.159172 0.072606 BFGS: 3623 16:42:58 0.157526 0.072367 BFGS: 3624 16:42:58 0.155889 0.072124 BFGS: 3625 16:42:58 0.154260 0.071878 BFGS: 3626 16:42:58 0.152641 0.071629 BFGS: 3627 16:42:58 0.151031 0.071375 BFGS: 3628 16:42:58 0.149430 0.071119 BFGS: 3629 16:42:58 0.147838 0.070858 BFGS: 3630 16:42:58 0.146255 0.070595 BFGS: 3631 16:42:58 0.144681 0.070327 BFGS: 3632 16:42:58 0.143116 0.070056 BFGS: 3633 16:42:58 0.141560 0.069782 BFGS: 3634 16:42:58 0.140013 0.069504 BFGS: 3635 16:42:58 0.138476 0.069223 BFGS: 3636 16:42:58 0.136948 0.068938 BFGS: 3637 16:42:58 0.135429 0.068649 BFGS: 3638 16:42:58 0.133920 0.068357 BFGS: 3639 16:42:58 0.132420 0.068062 BFGS: 3640 16:42:58 0.130929 0.067763 BFGS: 3641 16:42:58 0.129448 0.067461 BFGS: 3642 16:42:58 0.127976 0.067155 BFGS: 3643 16:42:58 0.126514 0.066845 BFGS: 3644 16:42:58 0.125061 0.066532 BFGS: 3645 16:42:59 0.123618 0.066216 BFGS: 3646 16:42:59 0.122184 0.065896 BFGS: 3647 16:42:59 0.120760 0.065572 BFGS: 3648 16:42:59 0.119345 0.065245 BFGS: 3649 16:42:59 0.117941 0.064915 BFGS: 3650 16:42:59 0.116546 0.064581 BFGS: 3651 16:42:59 0.115161 0.064243 BFGS: 3652 16:42:59 0.113785 0.063902 BFGS: 3653 16:42:59 0.112419 0.063558 BFGS: 3654 16:42:59 0.111064 0.063210 BFGS: 3655 16:42:59 0.109718 0.062858 BFGS: 3656 16:42:59 0.108382 0.062504 BFGS: 3657 16:42:59 0.107053 0.062146 BFGS: 3658 16:42:59 0.105733 0.061786 BFGS: 3659 16:42:59 0.104420 0.061424 BFGS: 3660 16:42:59 0.103115 0.061060 BFGS: 3661 16:42:59 0.101817 0.060694 BFGS: 3662 16:42:59 0.100527 0.060327 BFGS: 3663 16:42:59 0.099245 0.059957 BFGS: 3664 16:42:59 0.097971 0.059585 BFGS: 3665 16:42:59 0.096705 0.059212 BFGS: 3666 16:42:59 0.095446 0.058836 BFGS: 3667 16:42:59 0.094195 0.058458 BFGS: 3668 16:42:59 0.092952 0.058079 BFGS: 3669 16:42:59 0.091716 0.057697 BFGS: 3670 16:42:59 0.090489 0.057314 BFGS: 3671 16:42:59 0.089269 0.056929 BFGS: 3672 16:42:59 0.088057 0.056541 BFGS: 3673 16:42:59 0.086853 0.056152 BFGS: 3674 16:42:59 0.085656 0.055761 BFGS: 3675 16:42:59 0.084468 0.055368 BFGS: 3676 16:42:59 0.083287 0.054973 BFGS: 3677 16:42:59 0.082115 0.054576 BFGS: 3678 16:42:59 0.080950 0.054177 BFGS: 3679 16:42:59 0.079793 0.053776 BFGS: 3680 16:42:59 0.078644 0.053374 BFGS: 3681 16:43:00 0.077503 0.052970 BFGS: 3682 16:43:00 0.076370 0.052563 BFGS: 3683 16:43:00 0.075245 0.052155 BFGS: 3684 16:43:00 0.074128 0.051745 BFGS: 3685 16:43:00 0.073019 0.051334 BFGS: 3686 16:43:00 0.071919 0.050920 BFGS: 3687 16:43:00 0.070826 0.050505 BFGS: 3688 16:43:00 0.069741 0.050088 BFGS: 3689 16:43:00 0.068664 0.049669 BFGS: 3690 16:43:00 0.067596 0.049249 BFGS: 3691 16:43:00 0.066535 0.048826 BFGS: 3692 16:43:00 0.065481 0.048403 BFGS: 3693 16:43:00 0.064436 0.047979 BFGS: 3694 16:43:00 0.063397 0.047553 BFGS: 3695 16:43:00 0.062367 0.047127 BFGS: 3696 16:43:00 0.061344 0.046699 BFGS: 3697 16:43:00 0.060328 0.046271 BFGS: 3698 16:43:00 0.059321 0.045841 BFGS: 3699 16:43:00 0.058321 0.045411 BFGS: 3700 16:43:00 0.057329 0.044980 BFGS: 3701 16:43:00 0.056344 0.044548 BFGS: 3702 16:43:00 0.055367 0.044115 BFGS: 3703 16:43:00 0.054399 0.043682 BFGS: 3704 16:43:00 0.053437 0.043248 BFGS: 3705 16:43:01 0.052484 0.042813 BFGS: 3706 16:43:01 0.051539 0.042377 BFGS: 3707 16:43:01 0.050601 0.041941 BFGS: 3708 16:43:01 0.049672 0.041505 BFGS: 3709 16:43:01 0.048750 0.041068 BFGS: 3710 16:43:01 0.047836 0.040631 BFGS: 3711 16:43:01 0.046931 0.040193 BFGS: 3712 16:43:01 0.046033 0.039756 BFGS: 3713 16:43:01 0.045143 0.039318 BFGS: 3714 16:43:01 0.044262 0.038880 BFGS: 3715 16:43:01 0.043389 0.038441 BFGS: 3716 16:43:01 0.042523 0.038003 BFGS: 3717 16:43:01 0.041666 0.037565 BFGS: 3718 16:43:01 0.040817 0.037128 BFGS: 3719 16:43:01 0.039976 0.036692 BFGS: 3720 16:43:01 0.039143 0.036258 BFGS: 3721 16:43:01 0.038320 0.035827 BFGS: 3722 16:43:01 0.037506 0.035397 BFGS: 3723 16:43:01 0.036700 0.034971 BFGS: 3724 16:43:01 0.035904 0.034547 BFGS: 3725 16:43:01 0.035117 0.034126 BFGS: 3726 16:43:01 0.034338 0.033707 BFGS: 3727 16:43:01 0.033569 0.033292 BFGS: 3728 16:43:01 0.032809 0.032879 BFGS: 3729 16:43:01 0.032058 0.032470 BFGS: 3730 16:43:01 0.031316 0.032064 BFGS: 3731 16:43:01 0.030583 0.031661 BFGS: 3732 16:43:01 0.029859 0.031488 BFGS: 3733 16:43:01 0.029145 0.031313 BFGS: 3734 16:43:01 0.028440 0.031136 BFGS: 3735 16:43:01 0.027744 0.030955 BFGS: 3736 16:43:02 0.027058 0.030770 BFGS: 3737 16:43:02 0.026380 0.030583 BFGS: 3738 16:43:02 0.025712 0.030391 BFGS: 3739 16:43:02 0.025055 0.029850 BFGS: 3740 16:43:02 0.024411 0.029302 BFGS: 3741 16:43:02 0.023781 0.028756 BFGS: 3742 16:43:02 0.023163 0.028209 BFGS: 3743 16:43:02 0.022559 0.027664 BFGS: 3744 16:43:02 0.021968 0.027119 BFGS: 3745 16:43:02 0.021391 0.026748 BFGS: 3746 16:43:02 0.020826 0.026477 BFGS: 3747 16:43:02 0.020276 0.026218 BFGS: 3748 16:43:02 0.019738 0.025971 BFGS: 3749 16:43:02 0.019213 0.025737 BFGS: 3750 16:43:02 0.018702 0.025516 BFGS: 3751 16:43:02 0.018205 0.025308 BFGS: 3752 16:43:02 0.017720 0.025113 BFGS: 3753 16:43:02 0.017250 0.024932 BFGS: 3754 16:43:02 0.016794 0.024763 BFGS: 3755 16:43:02 0.016352 0.024608 BFGS: 3756 16:43:02 0.015923 0.024467 BFGS: 3757 16:43:02 0.015508 0.024338 BFGS: 3758 16:43:02 0.015107 0.024223 BFGS: 3759 16:43:02 0.014720 0.024121 BFGS: 3760 16:43:02 0.014346 0.023901 BFGS: 3761 16:43:02 0.013982 0.023669 BFGS: 3762 16:43:02 0.013630 0.023436 BFGS: 3763 16:43:02 0.013288 0.023203 BFGS: 3764 16:43:02 0.012957 0.022969 BFGS: 3765 16:43:02 0.012637 0.022735 BFGS: 3766 16:43:02 0.012328 0.022500 BFGS: 3767 16:43:02 0.012029 0.022264 BFGS: 3768 16:43:02 0.011741 0.022028 BFGS: 3769 16:43:02 0.011463 0.021791 BFGS: 3770 16:43:02 0.011195 0.021553 BFGS: 3771 16:43:02 0.010937 0.021315 BFGS: 3772 16:43:02 0.010690 0.021075 BFGS: 3773 16:43:02 0.010452 0.020835 BFGS: 3774 16:43:03 0.010224 0.020594 BFGS: 3775 16:43:03 0.010006 0.020352 BFGS: 3776 16:43:03 0.009798 0.020109 BFGS: 3777 16:43:03 0.009598 0.019864 BFGS: 3778 16:43:03 0.009409 0.019619 BFGS: 3779 16:43:03 0.009228 0.019372 BFGS: 3780 16:43:03 0.009056 0.019124 BFGS: 3781 16:43:03 0.008893 0.018875 BFGS: 3782 16:43:03 0.008739 0.018624 BFGS: 3783 16:43:03 0.008593 0.018372 BFGS: 3784 16:43:03 0.008455 0.018117 BFGS: 3785 16:43:03 0.008324 0.017861 BFGS: 3786 16:43:03 0.008202 0.017602 BFGS: 3787 16:43:03 0.008086 0.017342 BFGS: 3788 16:43:03 0.007978 0.017078 BFGS: 3789 16:43:03 0.007876 0.016812 BFGS: 3790 16:43:03 0.007779 0.016542 BFGS: 3791 16:43:03 0.007689 0.016269 BFGS: 3792 16:43:03 0.007605 0.015991 BFGS: 3793 16:43:03 0.007524 0.015709 BFGS: 3794 16:43:04 0.007447 0.015422 BFGS: 3795 16:43:04 0.007370 0.015130 BFGS: 3796 16:43:04 0.007295 0.014837 BFGS: 3797 16:43:04 0.007220 0.014542 BFGS: 3798 16:43:04 0.007146 0.014448 BFGS: 3799 16:43:04 0.007070 0.014670 BFGS: 3800 16:43:04 0.006993 0.014889 BFGS: 3801 16:43:04 0.006915 0.015100 BFGS: 3802 16:43:04 0.006833 0.015304 BFGS: 3803 16:43:04 0.006750 0.015496 BFGS: 3804 16:43:04 0.006663 0.015677 BFGS: 3805 16:43:04 0.006572 0.015845 BFGS: 3806 16:43:04 0.006478 0.016000 BFGS: 3807 16:43:04 0.006380 0.016139 BFGS: 3808 16:43:04 0.006278 0.016262 BFGS: 3809 16:43:04 0.006172 0.016369 BFGS: 3810 16:43:04 0.006062 0.016457 BFGS: 3811 16:43:05 0.005947 0.016527 BFGS: 3812 16:43:05 0.005828 0.016576 BFGS: 3813 16:43:05 0.005705 0.016605 BFGS: 3814 16:43:05 0.005577 0.016612 BFGS: 3815 16:43:05 0.005444 0.016596 BFGS: 3816 16:43:05 0.005307 0.016557 BFGS: 3817 16:43:06 0.005166 0.016493 BFGS: 3818 16:43:06 0.005020 0.016402 BFGS: 3819 16:43:06 0.004869 0.016285 BFGS: 3820 16:43:06 0.004715 0.016140 BFGS: 3821 16:43:06 0.004556 0.015964 BFGS: 3822 16:43:06 0.004393 0.015758 BFGS: 3823 16:43:06 0.004226 0.015518 BFGS: 3824 16:43:06 0.004055 0.015244 BFGS: 3825 16:43:06 0.003881 0.014933 BFGS: 3826 16:43:06 0.003703 0.014582 BFGS: 3827 16:43:06 0.003523 0.014189 BFGS: 3828 16:43:06 0.003340 0.013751 BFGS: 3829 16:43:07 0.003154 0.013263 BFGS: 3830 16:43:07 0.002967 0.012722 BFGS: 3831 16:43:07 0.002779 0.012281 BFGS: 3832 16:43:07 0.002589 0.012375 BFGS: 3833 16:43:07 0.002399 0.012440 BFGS: 3834 16:43:07 0.002211 0.012473 BFGS: 3835 16:43:07 0.002026 0.012468 BFGS: 3836 16:43:07 0.001846 0.012417 BFGS: 3837 16:43:07 0.001673 0.012310 BFGS: 3838 16:43:07 0.001507 0.012128 BFGS: 3839 16:43:07 0.001352 0.011841 BFGS: 3840 16:43:07 0.001210 0.011385 BFGS: 3841 16:43:07 0.001082 0.010564 BFGS: 3842 16:43:07 0.000995 0.009643 BFGS: 3843 16:43:07 0.000782 0.006806 BFGS: 3844 16:43:07 0.000649 0.007474 BFGS: 3845 16:43:07 0.000597 0.007187 BFGS: 3846 16:43:08 0.000178 0.003485 BFGS: 3847 16:43:08 0.000119 0.002631 BFGS: 3848 16:43:08 0.000083 0.002442 BFGS: 3849 16:43:08 0.000065 0.002205 BFGS: 3850 16:43:08 0.000050 0.001926 BFGS: 3851 16:43:08 0.000037 0.001641 BFGS: 3852 16:43:08 0.000026 0.001348 BFGS: 3853 16:43:08 0.000017 0.001168 BFGS: 3854 16:43:08 0.000010 0.001022 BFGS: 3855 16:43:08 0.000006 0.000905 BFGS: 3856 16:43:08 0.000004 0.000816 BFGS: 3857 16:43:08 0.000004 0.000769 BFGS: 3858 16:43:08 0.000003 0.000712 BFGS: 3859 16:43:08 0.000002 0.000561 BFGS: 3860 16:43:08 0.000001 0.000387 BFGS: 3861 16:43:08 0.000000 0.000198 BFGS: 3862 16:43:08 0.000000 0.000003 BFGS: 3863 16:43:08 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 = [[0.00000000e+00 8.47410939e-33 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 2.63263737e-01 9.02215158e-01] [6.92675335e-34 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 2.49607691e-32 9.77848419e-02] [7.36736263e-01 0.00000000e+00 9.77848419e-02] [1.55883993e-32 3.66406535e-01 5.99811133e-01] [1.99918439e-32 6.33593465e-01 5.99811133e-01] [1.33593465e-01 5.00000000e-01 9.98111334e-02] [8.66406535e-01 5.00000000e-01 9.98111334e-02] [5.00000000e-01 8.66406535e-01 9.00188867e-01] [5.00000000e-01 1.33593465e-01 9.00188867e-01] [3.66406535e-01 7.23001587e-32 4.00188867e-01] [6.33593465e-01 1.34271723e-31 4.00188867e-01] [0.00000000e+00 3.70231602e-01 4.52192670e-01] [4.79038392e-32 6.29768398e-01 4.52192670e-01] [1.29768398e-01 5.00000000e-01 9.52192670e-01] [8.70231602e-01 5.00000000e-01 9.52192670e-01] [5.00000000e-01 8.70231602e-01 4.78073296e-02] [5.00000000e-01 1.29768398e-01 4.78073296e-02] [3.70231602e-01 0.00000000e+00 5.47807330e-01] [6.29768398e-01 0.00000000e+00 5.47807330e-01] [0.00000000e+00 1.31607642e-01 5.52284881e-01] [1.72897964e-32 8.68392358e-01 5.52284881e-01] [3.68392358e-01 5.00000000e-01 5.22848814e-02] [6.31607642e-01 5.00000000e-01 5.22848814e-02] [5.00000000e-01 6.31607642e-01 9.47715119e-01] [5.00000000e-01 3.68392358e-01 9.47715119e-01] [1.31607642e-01 0.00000000e+00 4.47715119e-01] [8.68392358e-01 0.00000000e+00 4.47715119e-01] [0.00000000e+00 3.57394217e-01 7.92653767e-01] [4.18884983e-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 1.72143235e-33 2.07346233e-01] [6.42605783e-01 4.30358087e-32 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] [2.86023981e-01 1.28582390e-01 8.31351505e-01] [7.13976019e-01 8.71417610e-01 8.31351505e-01] [3.71417610e-01 7.86023981e-01 3.31351505e-01] [6.28582390e-01 2.13976019e-01 3.31351505e-01] [2.13976019e-01 6.28582390e-01 6.68648495e-01] [7.86023981e-01 3.71417610e-01 6.68648495e-01] [1.28582390e-01 2.86023981e-01 1.68648495e-01] [8.71417610e-01 7.13976019e-01 1.68648495e-01] [2.13976019e-01 3.71417610e-01 6.68648495e-01] [7.86023981e-01 6.28582390e-01 6.68648495e-01] [1.28582390e-01 7.13976019e-01 1.68648495e-01] [8.71417610e-01 2.86023981e-01 1.68648495e-01] [2.86023981e-01 8.71417610e-01 8.31351505e-01] [7.13976019e-01 1.28582390e-01 8.31351505e-01] [3.71417610e-01 2.13976019e-01 3.31351505e-01] [6.28582390e-01 7.86023981e-01 3.31351505e-01] [2.74317350e-01 1.55224638e-01 9.55441185e-01] [7.25682650e-01 8.44775362e-01 9.55441185e-01] [3.44775362e-01 7.74317350e-01 4.55441185e-01] [6.55224638e-01 2.25682650e-01 4.55441185e-01] [2.25682650e-01 6.55224638e-01 5.44558815e-01] [7.74317350e-01 3.44775362e-01 5.44558815e-01] [1.55224638e-01 2.74317350e-01 4.45588151e-02] [8.44775362e-01 7.25682650e-01 4.45588151e-02] [2.25682650e-01 3.44775362e-01 5.44558815e-01] [7.74317350e-01 6.55224638e-01 5.44558815e-01] [1.55224638e-01 7.25682650e-01 4.45588151e-02] [8.44775362e-01 2.74317350e-01 4.45588151e-02] [2.74317350e-01 8.44775362e-01 9.55441185e-01] [7.25682650e-01 1.55224638e-01 9.55441185e-01] [3.44775362e-01 2.25682650e-01 4.55441185e-01] [6.55224638e-01 7.74317350e-01 4.55441185e-01] [1.28568623e-01 2.24310255e-01 3.74952766e-01] [8.71431377e-01 7.75689745e-01 3.74952766e-01] [2.75689745e-01 6.28568623e-01 8.74952766e-01] [7.24310255e-01 3.71431377e-01 8.74952766e-01] [3.71431377e-01 7.24310255e-01 1.25047234e-01] [6.28568623e-01 2.75689745e-01 1.25047234e-01] [2.24310255e-01 1.28568623e-01 6.25047234e-01] [7.75689745e-01 8.71431377e-01 6.25047234e-01] [3.71431377e-01 2.75689745e-01 1.25047234e-01] [6.28568623e-01 7.24310255e-01 1.25047234e-01] [2.24310255e-01 8.71431377e-01 6.25047234e-01] [7.75689745e-01 1.28568623e-01 6.25047234e-01] [1.28568623e-01 7.75689745e-01 3.74952766e-01] [8.71431377e-01 2.24310255e-01 3.74952766e-01] [2.75689745e-01 3.71431377e-01 8.74952766e-01] [7.24310255e-01 6.28568623e-01 8.74952766e-01]] cellpar = Cell([[28.641152571472116, -1.2773707003781998e-36, 8.723707419206114e-37], [-8.870484591325146e-37, 28.64115257147211, 6.57726607694975e-16], [2.0475165184692972e-36, 1.5484193691374005e-15, 62.410867722152844]]) 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