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_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:38:42 1781.622255 21.538317 BFGS: 1 17:38:44 1776.057587 21.462229 BFGS: 2 17:38:45 1770.807156 21.388347 BFGS: 3 17:38:45 1765.790565 21.317626 BFGS: 4 17:38:46 1760.980536 21.249404 BFGS: 5 17:38:46 1756.338156 21.183117 BFGS: 6 17:38:47 1751.834361 21.118808 BFGS: 7 17:38:47 1747.444468 21.056028 BFGS: 8 17:38:48 1743.152137 20.994596 BFGS: 9 17:38:49 1738.942940 20.934219 BFGS: 10 17:38:50 1734.806336 20.874854 BFGS: 11 17:38:50 1730.733463 20.816461 BFGS: 12 17:38:51 1726.716852 20.758974 BFGS: 13 17:38:53 1722.749874 20.704144 BFGS: 14 17:38:54 1718.825454 20.649957 BFGS: 15 17:38:56 1714.938791 20.604421 BFGS: 16 17:38:57 1711.085484 20.563508 BFGS: 17 17:38:58 1707.259241 20.523597 BFGS: 18 17:38:59 1703.455584 20.484330 BFGS: 19 17:39:00 1699.670939 20.445668 BFGS: 20 17:39:00 1695.902191 20.407139 BFGS: 21 17:39:01 1692.146898 20.368785 BFGS: 22 17:39:02 1688.402863 20.330438 BFGS: 23 17:39:03 1684.667949 20.292091 BFGS: 24 17:39:04 1680.940206 20.253734 BFGS: 25 17:39:05 1677.217864 20.215359 BFGS: 26 17:39:06 1673.499337 20.177022 BFGS: 27 17:39:07 1669.783425 20.139574 BFGS: 28 17:39:08 1666.070932 20.102262 BFGS: 29 17:39:09 1662.361062 20.064932 BFGS: 30 17:39:11 1658.652818 20.028053 BFGS: 31 17:39:12 1654.945338 19.991182 BFGS: 32 17:39:12 1651.237955 19.954249 BFGS: 33 17:39:13 1647.530150 19.917249 BFGS: 34 17:39:15 1643.821540 19.880179 BFGS: 35 17:39:16 1640.111839 19.843206 BFGS: 36 17:39:17 1636.400817 19.806396 BFGS: 37 17:39:18 1632.688276 19.769509 BFGS: 38 17:39:18 1628.974240 19.732520 BFGS: 39 17:39:19 1625.258826 19.695428 BFGS: 40 17:39:20 1621.542203 19.658232 BFGS: 41 17:39:20 1617.824546 19.620996 BFGS: 42 17:39:21 1614.105675 19.583689 BFGS: 43 17:39:21 1610.385432 19.547386 BFGS: 44 17:39:22 1606.663696 19.510947 BFGS: 45 17:39:23 1602.940974 19.474371 BFGS: 46 17:39:23 1599.217745 19.437671 BFGS: 47 17:39:24 1595.494464 19.400852 BFGS: 48 17:39:25 1591.771571 19.363920 BFGS: 49 17:39:26 1588.049489 19.326877 BFGS: 50 17:39:27 1584.328630 19.289726 BFGS: 51 17:39:28 1580.609384 19.252470 BFGS: 52 17:39:29 1576.892125 19.215109 BFGS: 53 17:39:29 1573.177209 19.177647 BFGS: 54 17:39:30 1569.464968 19.140085 BFGS: 55 17:39:31 1565.755710 19.102425 BFGS: 56 17:39:31 1562.049722 19.064669 BFGS: 57 17:39:32 1558.347213 19.027513 BFGS: 58 17:39:33 1554.647216 18.991786 BFGS: 59 17:39:34 1550.948648 18.955947 BFGS: 60 17:39:35 1547.251703 18.920011 BFGS: 61 17:39:35 1543.556629 18.884061 BFGS: 62 17:39:35 1539.863989 18.848526 BFGS: 63 17:39:36 1536.176453 18.812941 BFGS: 64 17:39:36 1532.494384 18.777291 BFGS: 65 17:39:36 1528.818004 18.741580 BFGS: 66 17:39:37 1525.147527 18.705811 BFGS: 67 17:39:37 1521.483154 18.669984 BFGS: 68 17:39:37 1517.825065 18.634333 BFGS: 69 17:39:38 1514.173418 18.599095 BFGS: 70 17:39:38 1510.528476 18.563809 BFGS: 71 17:39:38 1506.890383 18.528474 BFGS: 72 17:39:39 1503.259270 18.493088 BFGS: 73 17:39:39 1499.635255 18.457652 BFGS: 74 17:39:39 1496.018443 18.422166 BFGS: 75 17:39:39 1492.408929 18.386629 BFGS: 76 17:39:40 1488.806936 18.352543 BFGS: 77 17:39:40 1485.215127 18.319280 BFGS: 78 17:39:40 1481.634099 18.285986 BFGS: 79 17:39:40 1478.063680 18.252655 BFGS: 80 17:39:40 1474.503694 18.219282 BFGS: 81 17:39:41 1470.953958 18.185863 BFGS: 82 17:39:41 1467.414282 18.152394 BFGS: 83 17:39:41 1463.884475 18.118875 BFGS: 84 17:39:42 1460.364340 18.085302 BFGS: 85 17:39:42 1456.853678 18.051675 BFGS: 86 17:39:43 1453.352288 18.017992 BFGS: 87 17:39:43 1449.859934 17.984805 BFGS: 88 17:39:43 1446.376693 17.951590 BFGS: 89 17:39:44 1442.902324 17.918691 BFGS: 90 17:39:44 1439.436492 17.885967 BFGS: 91 17:39:45 1435.978998 17.853217 BFGS: 92 17:39:45 1432.529647 17.820430 BFGS: 93 17:39:46 1429.088240 17.787602 BFGS: 94 17:39:46 1425.654572 17.754729 BFGS: 95 17:39:46 1422.228439 17.721809 BFGS: 96 17:39:47 1418.809642 17.688841 BFGS: 97 17:39:47 1415.397981 17.655823 BFGS: 98 17:39:48 1411.993262 17.622755 BFGS: 99 17:39:48 1408.595298 17.589638 BFGS: 100 17:39:48 1405.203901 17.556711 BFGS: 101 17:39:49 1401.818653 17.524906 BFGS: 102 17:39:49 1398.437800 17.493150 BFGS: 103 17:39:50 1395.061399 17.461508 BFGS: 104 17:39:50 1391.689565 17.429813 BFGS: 105 17:39:51 1388.322115 17.398067 BFGS: 106 17:39:51 1384.958905 17.366272 BFGS: 107 17:39:51 1381.599824 17.334429 BFGS: 108 17:39:52 1378.244785 17.302537 BFGS: 109 17:39:52 1374.893702 17.270967 BFGS: 110 17:39:53 1371.546440 17.239388 BFGS: 111 17:39:53 1368.202967 17.207772 BFGS: 112 17:39:54 1364.863276 17.176117 BFGS: 113 17:39:54 1361.527382 17.144423 BFGS: 114 17:39:54 1358.195320 17.112691 BFGS: 115 17:39:55 1354.867145 17.080920 BFGS: 116 17:39:55 1351.542929 17.049112 BFGS: 117 17:39:55 1348.222761 17.017266 BFGS: 118 17:39:55 1344.906750 16.985384 BFGS: 119 17:39:56 1341.595018 16.953466 BFGS: 120 17:39:56 1338.287706 16.921515 BFGS: 121 17:39:56 1334.984966 16.889531 BFGS: 122 17:39:56 1331.686968 16.857516 BFGS: 123 17:39:56 1328.393892 16.825471 BFGS: 124 17:39:56 1325.105932 16.793400 BFGS: 125 17:39:57 1321.823291 16.761303 BFGS: 126 17:39:57 1318.546183 16.729183 BFGS: 127 17:39:57 1315.274830 16.697042 BFGS: 128 17:39:57 1312.009460 16.664882 BFGS: 129 17:39:57 1308.750308 16.632707 BFGS: 130 17:39:57 1305.497612 16.600517 BFGS: 131 17:39:57 1302.251613 16.568317 BFGS: 132 17:39:57 1299.012549 16.536165 BFGS: 133 17:39:57 1295.780671 16.504180 BFGS: 134 17:39:57 1292.556305 16.472208 BFGS: 135 17:39:58 1289.339684 16.440246 BFGS: 136 17:39:58 1286.131028 16.408296 BFGS: 137 17:39:58 1282.930552 16.376358 BFGS: 138 17:39:58 1279.738457 16.344433 BFGS: 139 17:39:58 1276.554938 16.312522 BFGS: 140 17:39:58 1273.380176 16.280627 BFGS: 141 17:39:58 1270.214340 16.248749 BFGS: 142 17:39:58 1267.057587 16.216891 BFGS: 143 17:39:58 1263.910059 16.185052 BFGS: 144 17:39:58 1260.771882 16.153236 BFGS: 145 17:39:59 1257.643167 16.121443 BFGS: 146 17:39:59 1254.524010 16.089674 BFGS: 147 17:39:59 1251.414486 16.057930 BFGS: 148 17:39:59 1248.314655 16.026213 BFGS: 149 17:40:00 1245.224558 15.994524 BFGS: 150 17:40:00 1242.144245 15.963124 BFGS: 151 17:40:00 1239.074004 15.931961 BFGS: 152 17:40:00 1236.013990 15.900846 BFGS: 153 17:40:00 1232.964213 15.869780 BFGS: 154 17:40:00 1229.924648 15.839113 BFGS: 155 17:40:00 1226.895385 15.808509 BFGS: 156 17:40:00 1223.876383 15.777953 BFGS: 157 17:40:01 1220.867581 15.747447 BFGS: 158 17:40:01 1217.868858 15.717402 BFGS: 159 17:40:01 1214.879950 15.687412 BFGS: 160 17:40:01 1211.900764 15.657469 BFGS: 161 17:40:01 1208.931203 15.627608 BFGS: 162 17:40:01 1205.971246 15.597925 BFGS: 163 17:40:01 1203.020855 15.568277 BFGS: 164 17:40:01 1200.079848 15.538755 BFGS: 165 17:40:01 1197.148021 15.509700 BFGS: 166 17:40:01 1194.225254 15.480681 BFGS: 167 17:40:02 1191.311342 15.451698 BFGS: 168 17:40:02 1188.406066 15.422749 BFGS: 169 17:40:02 1185.509201 15.393833 BFGS: 170 17:40:03 1182.620509 15.364948 BFGS: 171 17:40:03 1179.739745 15.336092 BFGS: 172 17:40:03 1176.866654 15.307352 BFGS: 173 17:40:04 1174.000990 15.278685 BFGS: 174 17:40:04 1171.142487 15.250034 BFGS: 175 17:40:04 1168.290862 15.221396 BFGS: 176 17:40:05 1165.445827 15.192768 BFGS: 177 17:40:05 1162.607081 15.164147 BFGS: 178 17:40:05 1159.774318 15.135531 BFGS: 179 17:40:06 1156.947228 15.106915 BFGS: 180 17:40:06 1154.125493 15.078296 BFGS: 181 17:40:07 1151.308796 15.049670 BFGS: 182 17:40:07 1148.496813 15.021032 BFGS: 183 17:40:07 1145.689229 14.992424 BFGS: 184 17:40:07 1142.886599 14.964052 BFGS: 185 17:40:08 1140.091143 14.935605 BFGS: 186 17:40:08 1137.302460 14.907082 BFGS: 187 17:40:08 1134.520159 14.878483 BFGS: 188 17:40:08 1131.743853 14.849806 BFGS: 189 17:40:09 1128.973215 14.821440 BFGS: 190 17:40:09 1126.209208 14.793712 BFGS: 191 17:40:09 1123.453010 14.765901 BFGS: 192 17:40:09 1120.704075 14.738004 BFGS: 193 17:40:09 1117.961916 14.710019 BFGS: 194 17:40:10 1115.226036 14.682028 BFGS: 195 17:40:10 1112.495647 14.653979 BFGS: 196 17:40:10 1109.770315 14.625848 BFGS: 197 17:40:10 1107.049713 14.597632 BFGS: 198 17:40:11 1104.333537 14.569324 BFGS: 199 17:40:11 1101.621511 14.540922 BFGS: 200 17:40:11 1098.913383 14.512420 BFGS: 201 17:40:11 1096.208874 14.484475 BFGS: 202 17:40:12 1093.507734 14.456733 BFGS: 203 17:40:12 1090.809196 14.429200 BFGS: 204 17:40:12 1088.112795 14.401525 BFGS: 205 17:40:12 1085.418339 14.373818 BFGS: 206 17:40:13 1082.725401 14.345967 BFGS: 207 17:40:13 1080.033898 14.317954 BFGS: 208 17:40:14 1077.343809 14.289770 BFGS: 209 17:40:14 1074.655145 14.261411 BFGS: 210 17:40:14 1071.967947 14.232871 BFGS: 211 17:40:15 1069.282283 14.204147 BFGS: 212 17:40:15 1066.598104 14.175852 BFGS: 213 17:40:15 1063.913913 14.147662 BFGS: 214 17:40:16 1061.229289 14.119229 BFGS: 215 17:40:16 1058.544502 14.090557 BFGS: 216 17:40:17 1055.859572 14.061709 BFGS: 217 17:40:17 1053.172172 14.033161 BFGS: 218 17:40:17 1050.482018 14.005254 BFGS: 219 17:40:18 1047.785168 13.977866 BFGS: 220 17:40:19 1045.078076 13.950541 BFGS: 221 17:40:19 1042.360075 13.923040 BFGS: 222 17:40:20 1039.630267 13.895258 BFGS: 223 17:40:20 1036.887176 13.867185 BFGS: 224 17:40:20 1034.128124 13.838806 BFGS: 225 17:40:21 1031.346895 13.810256 BFGS: 226 17:40:21 1028.524426 13.781360 BFGS: 227 17:40:21 1025.613739 13.751973 BFGS: 228 17:40:22 1022.589552 13.722054 BFGS: 229 17:40:22 1019.625490 13.693170 BFGS: 230 17:40:22 1016.711550 13.664930 BFGS: 231 17:40:23 1013.842341 13.637075 BFGS: 232 17:40:23 1011.020981 13.609556 BFGS: 233 17:40:23 1008.267369 13.582673 BFGS: 234 17:40:23 1005.414079 13.553385 BFGS: 235 17:40:24 1002.398520 13.521492 BFGS: 236 17:40:24 999.607672 13.490577 BFGS: 237 17:40:24 997.047851 13.460834 BFGS: 238 17:40:24 994.625905 13.431831 BFGS: 239 17:40:25 992.281329 13.403248 BFGS: 240 17:40:25 989.979732 13.374895 BFGS: 241 17:40:25 987.702682 13.346667 BFGS: 242 17:40:26 985.440398 13.318508 BFGS: 243 17:40:26 983.187584 13.290386 BFGS: 244 17:40:26 980.941268 13.262282 BFGS: 245 17:40:26 978.699688 13.234182 BFGS: 246 17:40:27 976.461734 13.206078 BFGS: 247 17:40:27 974.226659 13.177961 BFGS: 248 17:40:27 971.993932 13.149856 BFGS: 249 17:40:28 969.762923 13.122210 BFGS: 250 17:40:28 967.529036 13.094521 BFGS: 251 17:40:28 965.293471 13.066792 BFGS: 252 17:40:29 963.057108 13.039027 BFGS: 253 17:40:29 960.820645 13.011226 BFGS: 254 17:40:29 958.584694 12.983391 BFGS: 255 17:40:30 956.349835 12.955524 BFGS: 256 17:40:30 954.116653 12.927628 BFGS: 257 17:40:30 951.885756 12.899706 BFGS: 258 17:40:31 949.657784 12.871761 BFGS: 259 17:40:31 947.433406 12.843799 BFGS: 260 17:40:31 945.213312 12.815824 BFGS: 261 17:40:31 942.998205 12.787842 BFGS: 262 17:40:32 940.788724 12.760562 BFGS: 263 17:40:32 938.585136 12.733702 BFGS: 264 17:40:32 936.387388 12.706912 BFGS: 265 17:40:33 934.209377 12.680259 BFGS: 266 17:40:33 932.047831 12.653721 BFGS: 267 17:40:33 929.899990 12.627275 BFGS: 268 17:40:33 927.763835 12.600907 BFGS: 269 17:40:33 925.637890 12.574606 BFGS: 270 17:40:33 923.521244 12.548380 BFGS: 271 17:40:34 921.401273 12.522096 BFGS: 272 17:40:34 919.280292 12.495865 BFGS: 273 17:40:34 917.161515 12.469670 BFGS: 274 17:40:34 915.047072 12.443485 BFGS: 275 17:40:34 912.938202 12.417321 BFGS: 276 17:40:34 910.835960 12.391289 BFGS: 277 17:40:34 908.739462 12.365847 BFGS: 278 17:40:34 906.646352 12.340728 BFGS: 279 17:40:34 904.556956 12.315619 BFGS: 280 17:40:34 902.473185 12.290533 BFGS: 281 17:40:34 900.396605 12.265481 BFGS: 282 17:40:34 898.328465 12.240473 BFGS: 283 17:40:34 896.269567 12.216219 BFGS: 284 17:40:34 894.223562 12.192199 BFGS: 285 17:40:34 892.191141 12.168243 BFGS: 286 17:40:34 890.171917 12.144354 BFGS: 287 17:40:34 888.165494 12.120534 BFGS: 288 17:40:35 886.171488 12.097051 BFGS: 289 17:40:35 884.187199 12.073659 BFGS: 290 17:40:35 882.212216 12.050753 BFGS: 291 17:40:35 880.251646 12.028281 BFGS: 292 17:40:35 878.309020 12.005897 BFGS: 293 17:40:36 876.382595 11.983594 BFGS: 294 17:40:36 874.470822 11.961367 BFGS: 295 17:40:36 872.572163 11.940121 BFGS: 296 17:40:37 870.679755 11.918998 BFGS: 297 17:40:37 868.792845 11.897971 BFGS: 298 17:40:38 866.911224 11.877382 BFGS: 299 17:40:38 865.041500 11.856876 BFGS: 300 17:40:38 863.182190 11.836442 BFGS: 301 17:40:38 861.331895 11.816184 BFGS: 302 17:40:38 859.489643 11.795989 BFGS: 303 17:40:38 857.654111 11.776300 BFGS: 304 17:40:38 855.824742 11.756779 BFGS: 305 17:40:38 854.000804 11.737332 BFGS: 306 17:40:39 852.181459 11.717951 BFGS: 307 17:40:39 850.365869 11.698977 BFGS: 308 17:40:39 848.554590 11.680082 BFGS: 309 17:40:39 846.747023 11.661230 BFGS: 310 17:40:39 844.942483 11.642421 BFGS: 311 17:40:39 843.140335 11.623654 BFGS: 312 17:40:39 841.340007 11.604928 BFGS: 313 17:40:40 839.540998 11.586243 BFGS: 314 17:40:40 837.742883 11.567598 BFGS: 315 17:40:40 835.945320 11.548992 BFGS: 316 17:40:40 834.148060 11.530426 BFGS: 317 17:40:41 832.350948 11.511897 BFGS: 318 17:40:41 830.553928 11.493405 BFGS: 319 17:40:41 828.757043 11.474950 BFGS: 320 17:40:42 826.960436 11.456528 BFGS: 321 17:40:42 825.164340 11.438141 BFGS: 322 17:40:42 823.369076 11.419785 BFGS: 323 17:40:42 821.575070 11.401641 BFGS: 324 17:40:42 819.781088 11.383752 BFGS: 325 17:40:42 817.985745 11.365896 BFGS: 326 17:40:42 816.190285 11.348069 BFGS: 327 17:40:42 814.400412 11.330309 BFGS: 328 17:40:42 812.623391 11.312672 BFGS: 329 17:40:42 810.858112 11.295129 BFGS: 330 17:40:42 809.103521 11.277655 BFGS: 331 17:40:42 807.358641 11.260226 BFGS: 332 17:40:43 805.622590 11.242821 BFGS: 333 17:40:43 803.894579 11.225424 BFGS: 334 17:40:43 802.173921 11.208017 BFGS: 335 17:40:43 800.460027 11.190588 BFGS: 336 17:40:43 798.752397 11.173126 BFGS: 337 17:40:43 797.050619 11.155624 BFGS: 338 17:40:43 795.354356 11.138074 BFGS: 339 17:40:43 793.663342 11.120471 BFGS: 340 17:40:43 791.977374 11.102812 BFGS: 341 17:40:43 790.296299 11.085095 BFGS: 342 17:40:43 788.620014 11.067318 BFGS: 343 17:40:43 786.948451 11.049481 BFGS: 344 17:40:44 785.281574 11.031585 BFGS: 345 17:40:44 783.620272 11.013640 BFGS: 346 17:40:44 781.966963 10.995673 BFGS: 347 17:40:44 780.321404 10.977980 BFGS: 348 17:40:44 778.682558 10.960292 BFGS: 349 17:40:45 777.050268 10.942581 BFGS: 350 17:40:45 775.424458 10.924845 BFGS: 351 17:40:45 773.805058 10.907084 BFGS: 352 17:40:45 772.192002 10.889296 BFGS: 353 17:40:46 770.585230 10.871479 BFGS: 354 17:40:46 768.984672 10.853846 BFGS: 355 17:40:46 767.389069 10.836524 BFGS: 356 17:40:47 765.796831 10.819181 BFGS: 357 17:40:47 764.208359 10.801811 BFGS: 358 17:40:47 762.624052 10.784410 BFGS: 359 17:40:48 761.044298 10.766975 BFGS: 360 17:40:48 759.469472 10.749503 BFGS: 361 17:40:48 757.899925 10.731989 BFGS: 362 17:40:49 756.335987 10.714432 BFGS: 363 17:40:49 754.777961 10.696827 BFGS: 364 17:40:50 753.226121 10.679172 BFGS: 365 17:40:50 751.680716 10.661465 BFGS: 366 17:40:50 750.141963 10.643704 BFGS: 367 17:40:50 748.610053 10.625886 BFGS: 368 17:40:51 747.085148 10.608011 BFGS: 369 17:40:51 745.567384 10.590076 BFGS: 370 17:40:51 744.056857 10.572228 BFGS: 371 17:40:51 742.551947 10.554360 BFGS: 372 17:40:51 741.052408 10.536437 BFGS: 373 17:40:51 739.558399 10.518456 BFGS: 374 17:40:51 738.070068 10.500416 BFGS: 375 17:40:51 736.587558 10.482317 BFGS: 376 17:40:52 735.111009 10.464237 BFGS: 377 17:40:52 733.638792 10.446282 BFGS: 378 17:40:52 732.166758 10.428255 BFGS: 379 17:40:52 730.695289 10.410156 BFGS: 380 17:40:52 729.224824 10.391983 BFGS: 381 17:40:52 727.755844 10.373746 BFGS: 382 17:40:52 726.289463 10.355471 BFGS: 383 17:40:53 724.828821 10.337135 BFGS: 384 17:40:53 723.374440 10.318733 BFGS: 385 17:40:53 721.926819 10.300263 BFGS: 386 17:40:53 720.486426 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17:41:55 340.073510 5.150473 BFGS: 770 17:41:55 339.331966 5.140055 BFGS: 771 17:41:56 338.586935 5.129547 BFGS: 772 17:41:56 337.852609 5.119075 BFGS: 773 17:41:56 337.118727 5.108550 BFGS: 774 17:41:56 336.392809 5.098040 BFGS: 775 17:41:56 335.669632 5.087500 BFGS: 776 17:41:56 334.952791 5.076964 BFGS: 777 17:41:56 334.239856 5.066423 BFGS: 778 17:41:56 333.530057 5.056147 BFGS: 779 17:41:56 332.796025 5.045559 BFGS: 780 17:41:56 332.108560 5.035344 BFGS: 781 17:41:56 331.387407 5.024739 BFGS: 782 17:41:56 330.645959 5.013842 BFGS: 783 17:41:56 329.928554 5.003104 BFGS: 784 17:41:56 329.190619 4.992066 BFGS: 785 17:41:56 328.469168 4.981208 BFGS: 786 17:41:56 327.741109 4.970552 BFGS: 787 17:41:57 327.032799 4.960038 BFGS: 788 17:41:57 326.321076 4.949438 BFGS: 789 17:41:57 325.616186 4.938858 BFGS: 790 17:41:57 324.915085 4.928270 BFGS: 791 17:41:57 324.218821 4.917690 BFGS: 792 17:41:57 323.526996 4.907116 BFGS: 793 17:41:57 322.839649 4.896553 BFGS: 794 17:41:57 322.156684 4.886003 BFGS: 795 17:41:57 321.478031 4.875470 BFGS: 796 17:41:57 320.803607 4.864955 BFGS: 797 17:41:57 320.133323 4.854491 BFGS: 798 17:41:57 319.467838 4.845310 BFGS: 799 17:41:57 318.815459 4.836358 BFGS: 800 17:41:57 318.166465 4.827407 BFGS: 801 17:41:57 317.521667 4.818462 BFGS: 802 17:41:57 316.880983 4.809526 BFGS: 803 17:41:57 316.244240 4.800600 BFGS: 804 17:41:58 315.611265 4.791684 BFGS: 805 17:41:58 314.981891 4.782779 BFGS: 806 17:41:58 314.355959 4.773885 BFGS: 807 17:41:58 313.733311 4.765101 BFGS: 808 17:41:58 313.113731 4.756479 BFGS: 809 17:41:58 312.496878 4.748497 BFGS: 810 17:41:58 311.882859 4.740523 BFGS: 811 17:41:58 311.271655 4.732553 BFGS: 812 17:41:58 310.663185 4.724583 BFGS: 813 17:41:58 310.057342 4.716612 BFGS: 814 17:41:58 309.454015 4.708638 BFGS: 815 17:41:58 308.853095 4.700661 BFGS: 816 17:41:58 308.254478 4.692679 BFGS: 817 17:41:58 307.658064 4.684693 BFGS: 818 17:41:58 307.063758 4.676700 BFGS: 819 17:41:58 306.471469 4.668700 BFGS: 820 17:41:58 305.881112 4.660693 BFGS: 821 17:41:59 305.292575 4.652861 BFGS: 822 17:41:59 304.705254 4.645178 BFGS: 823 17:41:59 304.118943 4.637496 BFGS: 824 17:41:59 303.533866 4.629809 BFGS: 825 17:41:59 302.950107 4.622114 BFGS: 826 17:41:59 302.367675 4.614406 BFGS: 827 17:41:59 301.786544 4.606685 BFGS: 828 17:41:59 301.206669 4.598989 BFGS: 829 17:41:59 300.627677 4.591949 BFGS: 830 17:41:59 300.047122 4.584875 BFGS: 831 17:41:59 299.467079 4.577763 BFGS: 832 17:41:59 298.887655 4.571251 BFGS: 833 17:41:59 298.308145 4.564769 BFGS: 834 17:41:59 297.729214 4.558265 BFGS: 835 17:42:00 297.150982 4.551732 BFGS: 836 17:42:00 296.573430 4.545166 BFGS: 837 17:42:00 295.997230 4.538572 BFGS: 838 17:42:00 295.422769 4.531955 BFGS: 839 17:42:00 294.849971 4.525312 BFGS: 840 17:42:00 294.278767 4.518641 BFGS: 841 17:42:00 293.709057 4.512011 BFGS: 842 17:42:01 293.143160 4.505401 BFGS: 843 17:42:01 292.578981 4.498763 BFGS: 844 17:42:01 292.016107 4.492089 BFGS: 845 17:42:01 291.454507 4.485378 BFGS: 846 17:42:01 290.894135 4.478626 BFGS: 847 17:42:01 290.334905 4.472045 BFGS: 848 17:42:02 289.787522 4.466314 BFGS: 849 17:42:02 289.281641 4.461186 BFGS: 850 17:42:02 288.729281 4.455215 BFGS: 851 17:42:02 288.203638 4.449611 BFGS: 852 17:42:02 287.714971 4.444535 BFGS: 853 17:42:02 287.224460 4.439354 BFGS: 854 17:42:03 286.743680 4.434484 BFGS: 855 17:42:03 286.262266 4.429730 BFGS: 856 17:42:03 285.790227 4.425135 BFGS: 857 17:42:03 285.304193 4.420249 BFGS: 858 17:42:03 284.836760 4.415583 BFGS: 859 17:42:03 284.355228 4.410628 BFGS: 860 17:42:03 283.886674 4.405802 BFGS: 861 17:42:03 283.412001 4.400812 BFGS: 862 17:42:03 282.940497 4.395799 BFGS: 863 17:42:04 282.466634 4.390680 BFGS: 864 17:42:04 281.992222 4.385484 BFGS: 865 17:42:04 281.516428 4.380197 BFGS: 866 17:42:04 281.039283 4.374822 BFGS: 867 17:42:04 280.560695 4.369359 BFGS: 868 17:42:04 280.080633 4.363807 BFGS: 869 17:42:05 279.599103 4.358168 BFGS: 870 17:42:05 279.116141 4.352444 BFGS: 871 17:42:05 278.631813 4.346637 BFGS: 872 17:42:05 278.146202 4.340750 BFGS: 873 17:42:05 277.659414 4.334785 BFGS: 874 17:42:05 277.171561 4.328745 BFGS: 875 17:42:06 276.682767 4.322634 BFGS: 876 17:42:06 276.193156 4.316454 BFGS: 877 17:42:06 275.702854 4.310209 BFGS: 878 17:42:06 275.211982 4.303901 BFGS: 879 17:42:06 274.720608 4.297574 BFGS: 880 17:42:06 274.233790 4.291310 BFGS: 881 17:42:07 273.753435 4.285085 BFGS: 882 17:42:07 273.276836 4.278864 BFGS: 883 17:42:07 272.801496 4.272612 BFGS: 884 17:42:07 272.326025 4.266609 BFGS: 885 17:42:07 271.852008 4.260577 BFGS: 886 17:42:07 271.378033 4.254493 BFGS: 887 17:42:07 270.903549 4.248351 BFGS: 888 17:42:07 270.428446 4.242151 BFGS: 889 17:42:07 269.952765 4.235895 BFGS: 890 17:42:07 269.476593 4.229587 BFGS: 891 17:42:07 269.000027 4.223229 BFGS: 892 17:42:08 268.523163 4.216824 BFGS: 893 17:42:08 268.046088 4.210374 BFGS: 894 17:42:08 267.568883 4.203882 BFGS: 895 17:42:08 267.091622 4.197350 BFGS: 896 17:42:08 266.614368 4.190781 BFGS: 897 17:42:08 266.137181 4.184176 BFGS: 898 17:42:08 265.660112 4.177537 BFGS: 899 17:42:08 265.183209 4.170867 BFGS: 900 17:42:08 264.706515 4.164167 BFGS: 901 17:42:08 264.230067 4.157438 BFGS: 902 17:42:08 263.753902 4.150684 BFGS: 903 17:42:08 263.278052 4.143904 BFGS: 904 17:42:08 262.802544 4.137101 BFGS: 905 17:42:09 262.327407 4.130276 BFGS: 906 17:42:09 261.852663 4.123431 BFGS: 907 17:42:09 261.378335 4.116567 BFGS: 908 17:42:09 260.904444 4.109685 BFGS: 909 17:42:09 260.431006 4.102787 BFGS: 910 17:42:09 259.958038 4.095874 BFGS: 911 17:42:09 259.485555 4.088947 BFGS: 912 17:42:09 259.013569 4.082007 BFGS: 913 17:42:09 258.542092 4.075056 BFGS: 914 17:42:09 258.071126 4.068121 BFGS: 915 17:42:09 257.602697 4.061245 BFGS: 916 17:42:09 257.133117 4.054877 BFGS: 917 17:42:09 256.639061 4.048192 BFGS: 918 17:42:09 256.171860 4.041891 BFGS: 919 17:42:10 255.688762 4.035345 BFGS: 920 17:42:10 255.226367 4.029092 BFGS: 921 17:42:10 254.746457 4.022571 BFGS: 922 17:42:10 254.288844 4.016368 BFGS: 923 17:42:10 253.813176 4.009888 BFGS: 924 17:42:10 253.360283 4.003737 BFGS: 925 17:42:10 252.889542 3.997309 BFGS: 926 17:42:10 252.441248 3.991210 BFGS: 927 17:42:10 251.975717 3.985152 BFGS: 928 17:42:10 251.535106 3.980022 BFGS: 929 17:42:10 251.068506 3.974512 BFGS: 930 17:42:10 250.640148 3.969551 BFGS: 931 17:42:10 250.174876 3.964050 BFGS: 932 17:42:10 249.747159 3.959096 BFGS: 933 17:42:10 249.326499 3.954241 BFGS: 934 17:42:11 248.899675 3.949291 BFGS: 935 17:42:11 248.484931 3.944514 BFGS: 936 17:42:11 248.058221 3.939554 BFGS: 937 17:42:11 247.648883 3.934932 BFGS: 938 17:42:11 247.224634 3.930342 BFGS: 939 17:42:11 246.816546 3.925988 BFGS: 940 17:42:11 246.400450 3.921510 BFGS: 941 17:42:11 245.993556 3.917164 BFGS: 942 17:42:11 245.582050 3.912744 BFGS: 943 17:42:11 245.176227 3.908405 BFGS: 944 17:42:11 244.768059 3.904026 BFGS: 945 17:42:11 244.363379 3.899695 BFGS: 946 17:42:11 243.957791 3.895345 BFGS: 947 17:42:11 243.554372 3.891024 BFGS: 948 17:42:12 243.150865 3.886781 BFGS: 949 17:42:12 242.750184 3.882641 BFGS: 950 17:42:12 242.350085 3.878507 BFGS: 951 17:42:12 241.950739 3.874381 BFGS: 952 17:42:12 241.552007 3.870261 BFGS: 953 17:42:12 241.153935 3.866147 BFGS: 954 17:42:12 240.756461 3.862037 BFGS: 955 17:42:12 240.359588 3.857933 BFGS: 956 17:42:12 239.963284 3.853833 BFGS: 957 17:42:12 239.567536 3.849737 BFGS: 958 17:42:12 239.172321 3.845644 BFGS: 959 17:42:12 238.777625 3.841554 BFGS: 960 17:42:12 238.383427 3.837467 BFGS: 961 17:42:12 237.989712 3.833382 BFGS: 962 17:42:12 237.596463 3.829298 BFGS: 963 17:42:13 237.203664 3.825216 BFGS: 964 17:42:13 236.811299 3.821134 BFGS: 965 17:42:13 236.419352 3.817053 BFGS: 966 17:42:13 236.027808 3.812972 BFGS: 967 17:42:13 235.636977 3.809780 BFGS: 968 17:42:13 235.209260 3.805976 BFGS: 969 17:42:13 234.795514 3.802403 BFGS: 970 17:42:13 234.385808 3.798885 BFGS: 971 17:42:13 233.976606 3.795356 BFGS: 972 17:42:13 233.568053 3.791845 BFGS: 973 17:42:13 233.159168 3.788341 BFGS: 974 17:42:13 232.749632 3.784800 BFGS: 975 17:42:13 232.341178 3.781253 BFGS: 976 17:42:13 231.933329 3.777691 BFGS: 977 17:42:13 231.526187 3.774117 BFGS: 978 17:42:13 231.119703 3.770530 BFGS: 979 17:42:13 230.713873 3.766930 BFGS: 980 17:42:13 230.308686 3.763317 BFGS: 981 17:42:13 229.904133 3.759691 BFGS: 982 17:42:13 229.500208 3.756052 BFGS: 983 17:42:14 229.096906 3.752400 BFGS: 984 17:42:14 228.694223 3.748735 BFGS: 985 17:42:14 228.292157 3.745056 BFGS: 986 17:42:14 227.890707 3.741364 BFGS: 987 17:42:14 227.489872 3.737659 BFGS: 988 17:42:14 227.089652 3.733940 BFGS: 989 17:42:14 226.690049 3.730207 BFGS: 990 17:42:14 226.291066 3.726460 BFGS: 991 17:42:14 225.892704 3.722699 BFGS: 992 17:42:14 225.494968 3.718924 BFGS: 993 17:42:14 225.097862 3.715134 BFGS: 994 17:42:14 224.701390 3.711329 BFGS: 995 17:42:14 224.305558 3.707510 BFGS: 996 17:42:14 223.910370 3.703676 BFGS: 997 17:42:14 223.515842 3.699847 BFGS: 998 17:42:14 223.119104 3.695965 BFGS: 999 17:42:14 222.722663 3.692052 BFGS: 1000 17:42:14 222.327534 3.688129 BFGS: 1001 17:42:14 221.932778 3.684177 BFGS: 1002 17:42:14 221.539219 3.680213 BFGS: 1003 17:42:14 221.146105 3.676221 BFGS: 1004 17:42:14 220.754121 3.672217 BFGS: 1005 17:42:14 220.362647 3.668186 BFGS: 1006 17:42:15 219.972259 3.664141 BFGS: 1007 17:42:15 219.582442 3.660071 BFGS: 1008 17:42:15 219.193678 3.655986 BFGS: 1009 17:42:15 218.805541 3.651876 BFGS: 1010 17:42:15 218.418432 3.647749 BFGS: 1011 17:42:15 218.032005 3.643599 BFGS: 1012 17:42:15 217.646581 3.639430 BFGS: 1013 17:42:15 217.261892 3.635238 BFGS: 1014 17:42:15 216.878182 3.631028 BFGS: 1015 17:42:15 216.495257 3.626793 BFGS: 1016 17:42:15 216.113290 3.622539 BFGS: 1017 17:42:15 215.732150 3.618262 BFGS: 1018 17:42:15 215.351948 3.613963 BFGS: 1019 17:42:15 214.972466 3.609729 BFGS: 1020 17:42:15 214.609773 3.605985 BFGS: 1021 17:42:15 214.225750 3.601950 BFGS: 1022 17:42:15 213.836897 3.597769 BFGS: 1023 17:42:15 213.445143 3.593480 BFGS: 1024 17:42:15 213.051192 3.589100 BFGS: 1025 17:42:15 212.655385 3.584692 BFGS: 1026 17:42:15 212.258374 3.580215 BFGS: 1027 17:42:15 211.860123 3.575667 BFGS: 1028 17:42:15 211.460491 3.571130 BFGS: 1029 17:42:15 211.071800 3.566874 BFGS: 1030 17:42:16 210.709064 3.563054 BFGS: 1031 17:42:16 210.315923 3.558628 BFGS: 1032 17:42:16 209.950265 3.554885 BFGS: 1033 17:42:16 209.592497 3.551488 BFGS: 1034 17:42:16 209.228508 3.547934 BFGS: 1035 17:42:16 208.867706 3.544391 BFGS: 1036 17:42:16 208.508371 3.540959 BFGS: 1037 17:42:16 208.157791 3.537829 BFGS: 1038 17:42:16 207.821005 3.534899 BFGS: 1039 17:42:16 207.470004 3.531674 BFGS: 1040 17:42:16 207.138043 3.528741 BFGS: 1041 17:42:16 206.799605 3.525650 BFGS: 1042 17:42:16 206.472209 3.522711 BFGS: 1043 17:42:16 206.139067 3.519626 BFGS: 1044 17:42:16 205.814559 3.516652 BFGS: 1045 17:42:16 205.487420 3.513589 BFGS: 1046 17:42:16 205.164941 3.510566 BFGS: 1047 17:42:16 204.842299 3.507498 BFGS: 1048 17:42:16 204.521737 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BFGS: 2140 17:43:32 9.828652 0.506527 BFGS: 2141 17:43:32 9.765201 0.504629 BFGS: 2142 17:43:32 9.701740 0.502721 BFGS: 2143 17:43:32 9.638272 0.500806 BFGS: 2144 17:43:32 9.574798 0.498882 BFGS: 2145 17:43:33 9.511318 0.496951 BFGS: 2146 17:43:33 9.447835 0.495010 BFGS: 2147 17:43:33 9.384349 0.493062 BFGS: 2148 17:43:33 9.320862 0.491105 BFGS: 2149 17:43:33 9.257375 0.489140 BFGS: 2150 17:43:33 9.193890 0.487166 BFGS: 2151 17:43:33 9.130408 0.485184 BFGS: 2152 17:43:33 9.066931 0.483194 BFGS: 2153 17:43:33 9.003459 0.481196 BFGS: 2154 17:43:33 8.939995 0.479189 BFGS: 2155 17:43:33 8.876541 0.477173 BFGS: 2156 17:43:33 8.813097 0.475150 BFGS: 2157 17:43:33 8.749665 0.473117 BFGS: 2158 17:43:34 8.686248 0.471077 BFGS: 2159 17:43:34 8.622847 0.469028 BFGS: 2160 17:43:34 8.559463 0.466970 BFGS: 2161 17:43:34 8.496100 0.464904 BFGS: 2162 17:43:34 8.432757 0.462830 BFGS: 2163 17:43:34 8.369439 0.460746 BFGS: 2164 17:43:34 8.306145 0.458655 BFGS: 2165 17:43:34 8.242879 0.456555 BFGS: 2166 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6.553783 0.396563 BFGS: 2193 17:43:36 6.492307 0.394218 BFGS: 2194 17:43:36 6.430940 0.391865 BFGS: 2195 17:43:36 6.369684 0.389502 BFGS: 2196 17:43:36 6.308544 0.387131 BFGS: 2197 17:43:36 6.247523 0.384751 BFGS: 2198 17:43:36 6.186626 0.382362 BFGS: 2199 17:43:36 6.125855 0.379965 BFGS: 2200 17:43:36 6.065216 0.377558 BFGS: 2201 17:43:36 6.004713 0.375143 BFGS: 2202 17:43:36 5.944348 0.372720 BFGS: 2203 17:43:37 5.884127 0.370287 BFGS: 2204 17:43:37 5.824053 0.367846 BFGS: 2205 17:43:37 5.764132 0.365396 BFGS: 2206 17:43:37 5.704366 0.362938 BFGS: 2207 17:43:37 5.644761 0.360471 BFGS: 2208 17:43:37 5.585322 0.357996 BFGS: 2209 17:43:37 5.526052 0.355512 BFGS: 2210 17:43:37 5.466956 0.353019 BFGS: 2211 17:43:37 5.408039 0.350518 BFGS: 2212 17:43:37 5.349305 0.348008 BFGS: 2213 17:43:37 5.290760 0.345490 BFGS: 2214 17:43:37 5.232408 0.342964 BFGS: 2215 17:43:37 5.174254 0.340429 BFGS: 2216 17:43:37 5.116303 0.337886 BFGS: 2217 17:43:38 5.058560 0.335335 BFGS: 2218 17:43:38 5.001030 0.332776 BFGS: 2219 17:43:38 4.943718 0.330208 BFGS: 2220 17:43:38 4.886640 0.327668 BFGS: 2221 17:43:38 4.829930 0.325248 BFGS: 2222 17:43:38 4.774491 0.322863 BFGS: 2223 17:43:38 4.720765 0.320529 BFGS: 2224 17:43:38 4.668562 0.318240 BFGS: 2225 17:43:38 4.617722 0.316079 BFGS: 2226 17:43:38 4.568141 0.313974 BFGS: 2227 17:43:38 4.519715 0.311903 BFGS: 2228 17:43:38 4.472341 0.309888 BFGS: 2229 17:43:38 4.425863 0.307905 BFGS: 2230 17:43:38 4.380201 0.305944 BFGS: 2231 17:43:38 4.335305 0.304001 BFGS: 2232 17:43:38 4.291127 0.302078 BFGS: 2233 17:43:39 4.247624 0.300171 BFGS: 2234 17:43:39 4.204756 0.298282 BFGS: 2235 17:43:39 4.162484 0.296408 BFGS: 2236 17:43:39 4.120776 0.294548 BFGS: 2237 17:43:39 4.079598 0.292702 BFGS: 2238 17:43:39 4.038933 0.290926 BFGS: 2239 17:43:39 3.998891 0.289207 BFGS: 2240 17:43:39 3.959503 0.287507 BFGS: 2241 17:43:39 3.920722 0.285822 BFGS: 2242 17:43:39 3.882508 0.284150 BFGS: 2243 17:43:39 3.844828 0.282491 BFGS: 2244 17:43:39 3.807655 0.280842 BFGS: 2245 17:43:39 3.770964 0.279202 BFGS: 2246 17:43:39 3.734735 0.277572 BFGS: 2247 17:43:39 3.698948 0.275949 BFGS: 2248 17:43:40 3.663588 0.274334 BFGS: 2249 17:43:40 3.628638 0.272726 BFGS: 2250 17:43:40 3.594087 0.271124 BFGS: 2251 17:43:40 3.559921 0.270461 BFGS: 2252 17:43:40 3.526137 0.272603 BFGS: 2253 17:43:40 3.492822 0.274702 BFGS: 2254 17:43:40 3.459960 0.276677 BFGS: 2255 17:43:40 3.427527 0.278568 BFGS: 2256 17:43:40 3.395509 0.280403 BFGS: 2257 17:43:40 3.363900 0.282201 BFGS: 2258 17:43:40 3.332700 0.283976 BFGS: 2259 17:43:40 3.301908 0.285737 BFGS: 2260 17:43:40 3.271524 0.287488 BFGS: 2261 17:43:40 3.241550 0.289233 BFGS: 2262 17:43:40 3.211986 0.290975 BFGS: 2263 17:43:41 3.182831 0.292714 BFGS: 2264 17:43:41 3.154084 0.294449 BFGS: 2265 17:43:41 3.125742 0.296180 BFGS: 2266 17:43:41 3.097803 0.297906 BFGS: 2267 17:43:41 3.070264 0.299625 BFGS: 2268 17:43:41 3.043127 0.301337 BFGS: 2269 17:43:41 3.016315 0.303047 BFGS: 2270 17:43:41 2.989828 0.304755 BFGS: 2271 17:43:41 2.963671 0.306456 BFGS: 2272 17:43:41 2.937846 0.308150 BFGS: 2273 17:43:41 2.912354 0.309833 BFGS: 2274 17:43:41 2.887195 0.311504 BFGS: 2275 17:43:41 2.862368 0.313160 BFGS: 2276 17:43:41 2.837873 0.314801 BFGS: 2277 17:43:41 2.813708 0.316424 BFGS: 2278 17:43:42 2.789871 0.318029 BFGS: 2279 17:43:42 2.766360 0.319613 BFGS: 2280 17:43:42 2.743172 0.321175 BFGS: 2281 17:43:42 2.720305 0.322715 BFGS: 2282 17:43:42 2.697756 0.324231 BFGS: 2283 17:43:42 2.675523 0.325722 BFGS: 2284 17:43:42 2.653602 0.327186 BFGS: 2285 17:43:42 2.631991 0.328623 BFGS: 2286 17:43:42 2.610709 0.330035 BFGS: 2287 17:43:42 2.589848 0.331424 BFGS: 2288 17:43:42 2.569387 0.332787 BFGS: 2289 17:43:42 2.549312 0.334123 BFGS: 2290 17:43:43 2.529607 0.335428 BFGS: 2291 17:43:43 2.510258 0.336703 BFGS: 2292 17:43:43 2.491254 0.337945 BFGS: 2293 17:43:43 2.472582 0.339155 BFGS: 2294 17:43:43 2.454232 0.340330 BFGS: 2295 17:43:43 2.436194 0.341472 BFGS: 2296 17:43:43 2.418460 0.342579 BFGS: 2297 17:43:43 2.401021 0.343651 BFGS: 2298 17:43:43 2.383869 0.344688 BFGS: 2299 17:43:43 2.366999 0.345689 BFGS: 2300 17:43:43 2.350403 0.346654 BFGS: 2301 17:43:43 2.334071 0.347582 BFGS: 2302 17:43:43 2.318062 0.348459 BFGS: 2303 17:43:43 2.302354 0.349290 BFGS: 2304 17:43:43 2.286928 0.350079 BFGS: 2305 17:43:44 2.271771 0.350830 BFGS: 2306 17:43:44 2.256869 0.351543 BFGS: 2307 17:43:44 2.242211 0.352221 BFGS: 2308 17:43:44 2.227790 0.352864 BFGS: 2309 17:43:44 2.213594 0.353472 BFGS: 2310 17:43:44 2.199619 0.354047 BFGS: 2311 17:43:44 2.185855 0.354587 BFGS: 2312 17:43:44 2.172298 0.355093 BFGS: 2313 17:43:44 2.158940 0.355565 BFGS: 2314 17:43:44 2.145777 0.356002 BFGS: 2315 17:43:44 2.132803 0.356405 BFGS: 2316 17:43:44 2.120013 0.356772 BFGS: 2317 17:43:44 2.107403 0.357103 BFGS: 2318 17:43:44 2.094967 0.357398 BFGS: 2319 17:43:44 2.082701 0.357656 BFGS: 2320 17:43:44 2.070601 0.357877 BFGS: 2321 17:43:45 2.058662 0.358060 BFGS: 2322 17:43:45 2.046881 0.358205 BFGS: 2323 17:43:45 2.035253 0.358310 BFGS: 2324 17:43:45 2.023706 0.358377 BFGS: 2325 17:43:45 2.012192 0.358413 BFGS: 2326 17:43:45 2.000716 0.358411 BFGS: 2327 17:43:45 1.989256 0.358378 BFGS: 2328 17:43:45 1.977804 0.358313 BFGS: 2329 17:43:45 1.966367 0.358214 BFGS: 2330 17:43:45 1.954949 0.358076 BFGS: 2331 17:43:45 1.943551 0.357898 BFGS: 2332 17:43:45 1.932176 0.357678 BFGS: 2333 17:43:45 1.920822 0.357305 BFGS: 2334 17:43:45 1.909489 0.356863 BFGS: 2335 17:43:45 1.898177 0.356371 BFGS: 2336 17:43:46 1.886887 0.355830 BFGS: 2337 17:43:46 1.875618 0.355240 BFGS: 2338 17:43:46 1.864370 0.354602 BFGS: 2339 17:43:46 1.853143 0.353917 BFGS: 2340 17:43:46 1.841936 0.353184 BFGS: 2341 17:43:46 1.830748 0.352403 BFGS: 2342 17:43:46 1.819587 0.351572 BFGS: 2343 17:43:46 1.808502 0.350682 BFGS: 2344 17:43:46 1.797461 0.349773 BFGS: 2345 17:43:46 1.786457 0.348850 BFGS: 2346 17:43:46 1.775489 0.347914 BFGS: 2347 17:43:46 1.764553 0.346965 BFGS: 2348 17:43:46 1.753648 0.345947 BFGS: 2349 17:43:46 1.742773 0.344902 BFGS: 2350 17:43:46 1.731926 0.343847 BFGS: 2351 17:43:46 1.721107 0.342782 BFGS: 2352 17:43:47 1.710314 0.341707 BFGS: 2353 17:43:47 1.699545 0.340622 BFGS: 2354 17:43:47 1.688798 0.339527 BFGS: 2355 17:43:47 1.678072 0.338421 BFGS: 2356 17:43:47 1.667367 0.337305 BFGS: 2357 17:43:47 1.656680 0.336178 BFGS: 2358 17:43:47 1.646011 0.335040 BFGS: 2359 17:43:47 1.635358 0.333891 BFGS: 2360 17:43:47 1.624722 0.332731 BFGS: 2361 17:43:47 1.614100 0.331560 BFGS: 2362 17:43:47 1.603492 0.330377 BFGS: 2363 17:43:47 1.592897 0.329182 BFGS: 2364 17:43:47 1.582315 0.327976 BFGS: 2365 17:43:47 1.571745 0.326758 BFGS: 2366 17:43:47 1.561186 0.325527 BFGS: 2367 17:43:47 1.550638 0.324284 BFGS: 2368 17:43:48 1.540100 0.323028 BFGS: 2369 17:43:48 1.529572 0.321759 BFGS: 2370 17:43:48 1.519053 0.320478 BFGS: 2371 17:43:48 1.508543 0.319183 BFGS: 2372 17:43:48 1.498041 0.317875 BFGS: 2373 17:43:48 1.487547 0.316553 BFGS: 2374 17:43:48 1.477061 0.315218 BFGS: 2375 17:43:48 1.466581 0.313868 BFGS: 2376 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1.185527 0.271236 BFGS: 2403 17:43:50 1.175165 0.269391 BFGS: 2404 17:43:50 1.164806 0.267523 BFGS: 2405 17:43:50 1.154449 0.265633 BFGS: 2406 17:43:50 1.144094 0.263721 BFGS: 2407 17:43:50 1.133741 0.261784 BFGS: 2408 17:43:50 1.123390 0.259825 BFGS: 2409 17:43:50 1.113041 0.257841 BFGS: 2410 17:43:50 1.102694 0.255832 BFGS: 2411 17:43:50 1.092348 0.253799 BFGS: 2412 17:43:51 1.082005 0.251651 BFGS: 2413 17:43:51 1.071668 0.249439 BFGS: 2414 17:43:51 1.061339 0.247206 BFGS: 2415 17:43:51 1.051018 0.244949 BFGS: 2416 17:43:51 1.040706 0.242669 BFGS: 2417 17:43:51 1.030403 0.240365 BFGS: 2418 17:43:51 1.020108 0.238035 BFGS: 2419 17:43:51 1.009822 0.235680 BFGS: 2420 17:43:51 0.999544 0.233299 BFGS: 2421 17:43:51 0.989275 0.230891 BFGS: 2422 17:43:51 0.979014 0.228456 BFGS: 2423 17:43:51 0.968761 0.225993 BFGS: 2424 17:43:51 0.958517 0.223501 BFGS: 2425 17:43:51 0.948279 0.220979 BFGS: 2426 17:43:51 0.938032 0.218429 BFGS: 2427 17:43:52 0.927773 0.215850 BFGS: 2428 17:43:52 0.917507 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0.213873 0.113153 BFGS: 2508 17:43:57 0.208250 0.112512 BFGS: 2509 17:43:57 0.202702 0.111851 BFGS: 2510 17:43:57 0.197229 0.111170 BFGS: 2511 17:43:57 0.191854 0.110470 BFGS: 2512 17:43:57 0.186585 0.109753 BFGS: 2513 17:43:57 0.181420 0.109019 BFGS: 2514 17:43:57 0.176360 0.108268 BFGS: 2515 17:43:57 0.171402 0.107500 BFGS: 2516 17:43:58 0.166547 0.106715 BFGS: 2517 17:43:58 0.161794 0.105914 BFGS: 2518 17:43:58 0.157144 0.105095 BFGS: 2519 17:43:58 0.152614 0.104259 BFGS: 2520 17:43:58 0.148213 0.103406 BFGS: 2521 17:43:58 0.143936 0.102537 BFGS: 2522 17:43:58 0.139776 0.101655 BFGS: 2523 17:43:58 0.135729 0.100759 BFGS: 2524 17:43:58 0.131791 0.099850 BFGS: 2525 17:43:58 0.127954 0.098930 BFGS: 2526 17:43:58 0.124225 0.098018 BFGS: 2527 17:43:58 0.120590 0.097099 BFGS: 2528 17:43:58 0.117037 0.096149 BFGS: 2529 17:43:58 0.113561 0.095171 BFGS: 2530 17:43:58 0.110161 0.094170 BFGS: 2531 17:43:59 0.106832 0.093147 BFGS: 2532 17:43:59 0.103574 0.092104 BFGS: 2533 17:43:59 0.100383 0.091046 BFGS: 2534 17:43:59 0.097260 0.089975 BFGS: 2535 17:43:59 0.094203 0.088891 BFGS: 2536 17:43:59 0.091210 0.087794 BFGS: 2537 17:43:59 0.088282 0.086684 BFGS: 2538 17:43:59 0.085418 0.085562 BFGS: 2539 17:43:59 0.082616 0.084428 BFGS: 2540 17:43:59 0.079876 0.083283 BFGS: 2541 17:43:59 0.077197 0.082125 BFGS: 2542 17:43:59 0.074580 0.080956 BFGS: 2543 17:43:59 0.072022 0.079775 BFGS: 2544 17:43:59 0.069525 0.078582 BFGS: 2545 17:43:59 0.067085 0.077371 BFGS: 2546 17:44:00 0.064703 0.076140 BFGS: 2547 17:44:00 0.062378 0.074888 BFGS: 2548 17:44:00 0.060110 0.073619 BFGS: 2549 17:44:00 0.057891 0.072164 BFGS: 2550 17:44:00 0.055710 0.070484 BFGS: 2551 17:44:00 0.053567 0.068831 BFGS: 2552 17:44:00 0.051462 0.067202 BFGS: 2553 17:44:00 0.049395 0.065595 BFGS: 2554 17:44:00 0.047366 0.064005 BFGS: 2555 17:44:00 0.045375 0.062431 BFGS: 2556 17:44:00 0.043423 0.060870 BFGS: 2557 17:44:00 0.041510 0.059321 BFGS: 2558 17:44:00 0.039636 0.057782 BFGS: 2559 17:44:01 0.037801 0.056251 BFGS: 2560 17:44:01 0.036006 0.054728 BFGS: 2561 17:44:01 0.034250 0.053212 BFGS: 2562 17:44:01 0.032535 0.051702 BFGS: 2563 17:44:01 0.030861 0.050196 BFGS: 2564 17:44:01 0.029227 0.048695 BFGS: 2565 17:44:01 0.027634 0.047197 BFGS: 2566 17:44:01 0.026083 0.045703 BFGS: 2567 17:44:01 0.024574 0.044212 BFGS: 2568 17:44:01 0.023107 0.042724 BFGS: 2569 17:44:01 0.021683 0.041238 BFGS: 2570 17:44:01 0.020301 0.039755 BFGS: 2571 17:44:01 0.018962 0.038273 BFGS: 2572 17:44:01 0.017667 0.036794 BFGS: 2573 17:44:01 0.016416 0.035318 BFGS: 2574 17:44:02 0.015209 0.033843 BFGS: 2575 17:44:02 0.014047 0.032371 BFGS: 2576 17:44:02 0.012929 0.030901 BFGS: 2577 17:44:02 0.011857 0.029806 BFGS: 2578 17:44:02 0.010830 0.029119 BFGS: 2579 17:44:02 0.009848 0.028397 BFGS: 2580 17:44:02 0.008911 0.027628 BFGS: 2581 17:44:02 0.008020 0.026805 BFGS: 2582 17:44:02 0.007175 0.025929 BFGS: 2583 17:44:02 0.006479 0.025003 BFGS: 2584 17:44:02 0.006064 0.022814 BFGS: 2585 17:44:02 0.005818 0.029926 BFGS: 2586 17:44:02 0.005415 0.036279 BFGS: 2587 17:44:03 0.004729 0.039267 BFGS: 2588 17:44:03 0.004082 0.033289 BFGS: 2589 17:44:03 0.003619 0.030030 BFGS: 2590 17:44:03 0.003251 0.031941 BFGS: 2591 17:44:03 0.002793 0.027866 BFGS: 2592 17:44:03 0.001967 0.016172 BFGS: 2593 17:44:03 0.001432 0.015920 BFGS: 2594 17:44:03 0.001230 0.016690 BFGS: 2595 17:44:03 0.000964 0.015632 BFGS: 2596 17:44:03 0.000901 0.014211 BFGS: 2597 17:44:03 0.000778 0.013870 BFGS: 2598 17:44:03 0.000538 0.013940 BFGS: 2599 17:44:03 0.000281 0.010041 BFGS: 2600 17:44:03 0.000061 0.003286 BFGS: 2601 17:44:04 0.000014 0.001746 BFGS: 2602 17:44:04 0.000006 0.001148 BFGS: 2603 17:44:04 0.000000 0.000355 BFGS: 2604 17:44:04 0.000000 0.000155 BFGS: 2605 17:44:04 0.000000 0.000133 BFGS: 2606 17:44:04 0.000000 0.000133 BFGS: 2607 17:44:04 0.000000 0.000066 BFGS: 2608 17:44:04 0.000000 0.000018 BFGS: 2609 17:44:04 0.000000 0.000000 Minimization converged after 2609 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 = [[4.08418459e-32 7.70748136e-34 7.54193736e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 1.31341387e-01 7.89571976e-01] [1.21460845e-32 8.68658613e-01 7.89571976e-01] [3.68658613e-01 5.00000000e-01 2.89571976e-01] [6.31341387e-01 5.00000000e-01 2.89571976e-01] [5.00000000e-01 6.31341387e-01 7.10428024e-01] [5.00000000e-01 3.68658613e-01 7.10428024e-01] [1.31341387e-01 2.08953989e-32 2.10428024e-01] [8.68658613e-01 3.14902490e-32 2.10428024e-01] [0.00000000e+00 3.68628124e-01 6.50037529e-01] [0.00000000e+00 6.31371876e-01 6.50037529e-01] [1.31371876e-01 5.00000000e-01 1.50037529e-01] [8.68628124e-01 5.00000000e-01 1.50037529e-01] [5.00000000e-01 8.68628124e-01 8.49962471e-01] [5.00000000e-01 1.31371876e-01 8.49962471e-01] [3.68628124e-01 1.13306036e-31 3.49962471e-01] [6.31371876e-01 1.28315407e-31 3.49962471e-01] [0.00000000e+00 1.33358741e-01 2.95711083e-01] [0.00000000e+00 8.66641259e-01 2.95711083e-01] [3.66641259e-01 5.00000000e-01 7.95711083e-01] [6.33358741e-01 5.00000000e-01 7.95711083e-01] [5.00000000e-01 6.33358741e-01 2.04288917e-01] [5.00000000e-01 3.66641259e-01 2.04288917e-01] [1.33358741e-01 2.22491853e-31 7.04288917e-01] [8.66641259e-01 7.41639509e-32 7.04288917e-01] [2.34703447e-32 1.78682683e-01 5.21542539e-01] [1.86676037e-32 8.21317317e-01 5.21542539e-01] [3.21317317e-01 5.00000000e-01 2.15425388e-02] [6.78682683e-01 5.00000000e-01 2.15425388e-02] [5.00000000e-01 6.78682683e-01 9.78457461e-01] [5.00000000e-01 3.21317317e-01 9.78457461e-01] [1.78682683e-01 0.00000000e+00 4.78457461e-01] [8.21317317e-01 0.00000000e+00 4.78457461e-01] [3.02221023e-32 3.51793389e-01 9.18649452e-01] [0.00000000e+00 6.48206611e-01 9.18649452e-01] [1.48206611e-01 5.00000000e-01 4.18649452e-01] [8.51793389e-01 5.00000000e-01 4.18649452e-01] [5.00000000e-01 8.51793389e-01 5.81350548e-01] [5.00000000e-01 1.48206611e-01 5.81350548e-01] [3.51793389e-01 2.03803714e-32 8.13505476e-02] [6.48206611e-01 0.00000000e+00 8.13505476e-02] [3.68197860e-01 3.68296529e-01 3.92909838e-01] [6.31802140e-01 6.31703471e-01 3.92909838e-01] [1.31703471e-01 8.68197860e-01 8.92909838e-01] [8.68296529e-01 1.31802140e-01 8.92909838e-01] [1.31802140e-01 8.68296529e-01 1.07090162e-01] [8.68197860e-01 1.31703471e-01 1.07090162e-01] [3.68296529e-01 3.68197860e-01 6.07090162e-01] [6.31703471e-01 6.31802140e-01 6.07090162e-01] [1.31802140e-01 1.31703471e-01 1.07090162e-01] [8.68197860e-01 8.68296529e-01 1.07090162e-01] [3.68296529e-01 6.31802140e-01 6.07090162e-01] [6.31703471e-01 3.68197860e-01 6.07090162e-01] [3.68197860e-01 6.31703471e-01 3.92909838e-01] [6.31802140e-01 3.68296529e-01 3.92909838e-01] [1.31703471e-01 1.31802140e-01 8.92909838e-01] [8.68296529e-01 8.68197860e-01 8.92909838e-01] [3.43252238e-01 1.57891457e-01 7.13672432e-01] [6.56747762e-01 8.42108543e-01 7.13672432e-01] [3.42108543e-01 8.43252238e-01 2.13672432e-01] [6.57891457e-01 1.56747762e-01 2.13672432e-01] [1.56747762e-01 6.57891457e-01 7.86327568e-01] [8.43252238e-01 3.42108543e-01 7.86327568e-01] [1.57891457e-01 3.43252238e-01 2.86327568e-01] [8.42108543e-01 6.56747762e-01 2.86327568e-01] [1.56747762e-01 3.42108543e-01 7.86327568e-01] [8.43252238e-01 6.57891457e-01 7.86327568e-01] [1.57891457e-01 6.56747762e-01 2.86327568e-01] [8.42108543e-01 3.43252238e-01 2.86327568e-01] [3.43252238e-01 8.42108543e-01 7.13672432e-01] [6.56747762e-01 1.57891457e-01 7.13672432e-01] [3.42108543e-01 1.56747762e-01 2.13672432e-01] [6.57891457e-01 8.43252238e-01 2.13672432e-01] [3.17969745e-01 1.31599256e-01 9.76967348e-01] [6.82030255e-01 8.68400744e-01 9.76967348e-01] [3.68400744e-01 8.17969745e-01 4.76967348e-01] [6.31599256e-01 1.82030255e-01 4.76967348e-01] [1.82030255e-01 6.31599256e-01 5.23032652e-01] [8.17969745e-01 3.68400744e-01 5.23032652e-01] [1.31599256e-01 3.17969745e-01 2.30326524e-02] [8.68400744e-01 6.82030255e-01 2.30326524e-02] [1.82030255e-01 3.68400744e-01 5.23032652e-01] [8.17969745e-01 6.31599256e-01 5.23032652e-01] [1.31599256e-01 6.82030255e-01 2.30326524e-02] [8.68400744e-01 3.17969745e-01 2.30326524e-02] [3.17969745e-01 8.68400744e-01 9.76967348e-01] [6.82030255e-01 1.31599256e-01 9.76967348e-01] [3.68400744e-01 1.82030255e-01 4.76967348e-01] [6.31599256e-01 8.17969745e-01 4.76967348e-01] [1.53407309e-01 2.06253403e-01 3.87652566e-01] [8.46592691e-01 7.93746597e-01 3.87652566e-01] [2.93746597e-01 6.53407309e-01 8.87652566e-01] [7.06253403e-01 3.46592691e-01 8.87652566e-01] [3.46592691e-01 7.06253403e-01 1.12347434e-01] [6.53407309e-01 2.93746597e-01 1.12347434e-01] [2.06253403e-01 1.53407309e-01 6.12347434e-01] [7.93746597e-01 8.46592691e-01 6.12347434e-01] [3.46592691e-01 2.93746597e-01 1.12347434e-01] [6.53407309e-01 7.06253403e-01 1.12347434e-01] [2.06253403e-01 8.46592691e-01 6.12347434e-01] [7.93746597e-01 1.53407309e-01 6.12347434e-01] [1.53407309e-01 7.93746597e-01 3.87652566e-01] [8.46592691e-01 2.06253403e-01 3.87652566e-01] [2.93746597e-01 3.46592691e-01 8.87652566e-01] [7.06253403e-01 6.53407309e-01 8.87652566e-01]] cellpar = Cell([[20.941035206142548, 2.0077434358605382e-37, 5.6307816089528395e-37], [-4.8635828854150606e-37, 20.941035206142548, 7.2312370953446e-17], [1.3871881336186418e-36, 1.5604738795663417e-16, 46.30206859446134]]) 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