element(s): ['Cr'] AFLOW prototype label: A_tP28_136_f2ij Parameter names: ['a', 'c/a', 'x1', 'x2', 'y2', 'x3', 'y3', 'x4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.487', '0.54017355', '0.40330575', '0.47422541', '0.13511037', '0.75753757', '0.046196819', '0.19868096', '0.25283166'] model name: Sim_LAMMPS_Buckingham_WangShinShin_2019_CrO__SM_295921111679_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cr', 'Cr', 'Cr', 'Cr'] representative atom coordinates = [[0.40330575 0.40330575 0. ] [0.47422541 0.13511037 0. ] [0.75753757 0.04619682 0. ] [0.19868096 0.19868096 0.25283166]] spacegroup = 136 cell = [[10.487, 0, 0], [0, 10.487, 0], [0, 0, 5.6648]] ========================================= Step Time Energy fmax BFGS: 0 09:51:37 -1837.103938 24.540580 BFGS: 1 09:51:38 -1836.120783 24.223477 BFGS: 2 09:51:38 -1834.014624 23.952674 BFGS: 3 09:51:38 -1831.502025 23.701614 BFGS: 4 09:51:39 -1828.783677 23.462135 BFGS: 5 09:51:39 -1825.946323 23.230447 BFGS: 6 09:51:39 -1823.033481 23.004785 BFGS: 7 09:51:39 -1820.072584 22.783792 BFGS: 8 09:51:39 -1817.081026 22.566676 BFGS: 9 09:51:39 -1814.069375 22.352919 BFGS: 10 09:51:39 -1811.046570 22.142109 BFGS: 11 09:51:39 -1808.017349 21.933990 BFGS: 12 09:51:39 -1804.986405 21.728349 BFGS: 13 09:51:39 -1801.956622 21.524980 BFGS: 14 09:51:39 -1798.929963 21.323877 BFGS: 15 09:51:39 -1795.908188 21.124910 BFGS: 16 09:51:39 -1792.892829 20.927930 BFGS: 17 09:51:39 -1789.884307 20.733014 BFGS: 18 09:51:39 -1786.883648 20.539856 BFGS: 19 09:51:39 -1783.891208 20.348808 BFGS: 20 09:51:39 -1780.907612 20.159624 BFGS: 21 09:51:39 -1777.932834 19.972307 BFGS: 22 09:51:39 -1774.967552 19.786708 BFGS: 23 09:51:39 -1772.011317 19.603016 BFGS: 24 09:51:39 -1769.064703 19.421095 BFGS: 25 09:51:39 -1766.127943 19.240847 BFGS: 26 09:51:39 -1763.200729 19.062394 BFGS: 27 09:51:40 -1760.283455 18.885538 BFGS: 28 09:51:40 -1757.375712 18.710487 BFGS: 29 09:51:40 -1754.477830 18.537092 BFGS: 30 09:51:40 -1751.590154 18.365183 BFGS: 31 09:51:40 -1748.711820 18.195008 BFGS: 32 09:51:41 -1745.843285 18.026505 BFGS: 33 09:51:41 -1742.984531 17.859595 BFGS: 34 09:51:41 -1740.135911 17.694097 BFGS: 35 09:51:41 -1737.296569 17.530251 BFGS: 36 09:51:41 -1734.466948 17.368002 BFGS: 37 09:51:41 -1731.646781 17.207277 BFGS: 38 09:51:41 -1728.836617 17.048008 BFGS: 39 09:51:41 -1726.035765 16.890270 BFGS: 40 09:51:42 -1723.244570 16.733958 BFGS: 41 09:51:42 -1720.462834 16.579135 BFGS: 42 09:51:43 -1717.690547 16.425700 BFGS: 43 09:51:43 -1714.927656 16.273710 BFGS: 44 09:51:43 -1712.174169 16.123113 BFGS: 45 09:51:43 -1709.429785 15.973922 BFGS: 46 09:51:44 -1706.694669 15.826099 BFGS: 47 09:51:44 -1703.968573 15.679629 BFGS: 48 09:51:44 -1701.251523 15.534495 BFGS: 49 09:51:44 -1698.543457 15.390684 BFGS: 50 09:51:45 -1695.844320 15.248178 BFGS: 51 09:51:45 -1693.154177 15.106936 BFGS: 52 09:51:45 -1690.472766 14.966987 BFGS: 53 09:51:45 -1687.799983 14.828303 BFGS: 54 09:51:46 -1685.135821 14.690864 BFGS: 55 09:51:46 -1682.480184 14.554655 BFGS: 56 09:51:46 -1679.833075 14.419655 BFGS: 57 09:51:46 -1677.194359 14.285858 BFGS: 58 09:51:47 -1674.563847 14.153259 BFGS: 59 09:51:47 -1671.941667 14.021821 BFGS: 60 09:51:47 -1669.327523 13.891546 BFGS: 61 09:51:47 -1666.721418 13.762424 BFGS: 62 09:51:47 -1664.123335 13.634430 BFGS: 63 09:51:47 -1661.533151 13.507557 BFGS: 64 09:51:48 -1658.950474 13.175161 BFGS: 65 09:51:48 -1656.391106 13.256503 BFGS: 66 09:51:48 -1653.828489 12.927735 BFGS: 67 09:51:48 -1651.287085 12.805267 BFGS: 68 09:51:48 -1648.748523 12.684103 BFGS: 69 09:51:48 -1646.214183 12.564158 BFGS: 70 09:51:48 -1643.684640 12.445371 BFGS: 71 09:51:48 -1641.160530 12.327702 BFGS: 72 09:51:48 -1638.642102 12.211111 BFGS: 73 09:51:48 -1636.129750 12.095572 BFGS: 74 09:51:49 -1633.623598 11.981057 BFGS: 75 09:51:49 -1631.123813 11.867552 BFGS: 76 09:51:49 -1628.630477 11.755031 BFGS: 77 09:51:49 -1626.143531 11.643490 BFGS: 78 09:51:49 -1623.663200 11.532900 BFGS: 79 09:51:49 -1621.189369 11.423265 BFGS: 80 09:51:49 -1618.722012 11.314561 BFGS: 81 09:51:49 -1616.261168 11.206785 BFGS: 82 09:51:49 -1613.806953 11.099893 BFGS: 83 09:51:49 -1611.359105 10.993937 BFGS: 84 09:51:49 -1608.917684 10.888876 BFGS: 85 09:51:49 -1606.482681 10.784701 BFGS: 86 09:51:49 -1604.054107 10.681404 BFGS: 87 09:51:49 -1601.631815 10.578987 BFGS: 88 09:51:49 -1599.215882 10.477428 BFGS: 89 09:51:50 -1596.806317 10.376721 BFGS: 90 09:51:50 -1594.403202 10.461948 BFGS: 91 09:51:50 -1592.002379 10.177916 BFGS: 92 09:51:50 -1589.618385 10.262824 BFGS: 93 09:51:50 -1587.235107 9.981748 BFGS: 94 09:51:50 -1584.866839 9.884607 BFGS: 95 09:51:50 -1582.502451 9.969584 BFGS: 96 09:51:50 -1580.138451 9.693302 BFGS: 97 09:51:50 -1577.788674 9.598604 BFGS: 98 09:51:50 -1575.442370 9.504890 BFGS: 99 09:51:50 -1573.100451 9.590145 BFGS: 100 09:51:51 -1570.759954 9.320225 BFGS: 101 09:51:51 -1568.433396 9.228770 BFGS: 102 09:51:51 -1566.110502 9.138260 BFGS: 103 09:51:51 -1563.792195 9.048613 BFGS: 104 09:51:51 -1561.478621 8.959815 BFGS: 105 09:51:51 -1559.170407 8.871819 BFGS: 106 09:51:51 -1556.867633 8.784607 BFGS: 107 09:51:51 -1554.571008 9.041421 BFGS: 108 09:51:51 -1552.280660 8.612154 BFGS: 109 09:51:51 -1550.009488 8.526280 BFGS: 110 09:51:51 -1547.740743 8.441416 BFGS: 111 09:51:51 -1545.475613 8.683648 BFGS: 112 09:51:51 -1543.214726 8.274133 BFGS: 113 09:51:52 -1540.969729 8.191066 BFGS: 114 09:51:52 -1538.727086 8.108978 BFGS: 115 09:51:52 -1536.487772 8.027821 BFGS: 116 09:51:52 -1534.252674 8.253574 BFGS: 117 09:51:52 -1532.021458 7.867800 BFGS: 118 09:51:52 -1529.804709 7.788326 BFGS: 119 09:51:52 -1527.590758 7.709849 BFGS: 120 09:51:52 -1525.381443 7.922978 BFGS: 121 09:51:52 -1523.175576 7.842286 BFGS: 122 09:51:52 -1520.974258 7.762439 BFGS: 123 09:51:52 -1518.777462 7.403294 BFGS: 124 09:51:52 -1516.594117 7.327972 BFGS: 125 09:51:52 -1514.414619 7.253602 BFGS: 126 09:51:52 -1512.239848 7.179977 BFGS: 127 09:51:52 -1510.070533 7.373457 BFGS: 128 09:51:52 -1507.905368 7.297757 BFGS: 129 09:51:52 -1505.745377 7.111799 BFGS: 130 09:51:52 -1503.593775 7.037542 BFGS: 131 09:51:52 -1501.447266 6.964016 BFGS: 132 09:51:53 -1499.306795 6.891008 BFGS: 133 09:51:53 -1497.171199 6.818867 BFGS: 134 09:51:53 -1495.041502 6.747369 BFGS: 135 09:51:53 -1492.917533 6.676513 BFGS: 136 09:51:53 -1490.799775 6.606249 BFGS: 137 09:51:53 -1488.687892 6.536477 BFGS: 138 09:51:53 -1486.581648 6.467481 BFGS: 139 09:51:53 -1484.481286 6.399084 BFGS: 140 09:51:53 -1482.386826 6.087107 BFGS: 141 09:51:53 -1480.303689 6.022758 BFGS: 142 09:51:53 -1478.225710 5.959030 BFGS: 143 09:51:53 -1476.153215 5.895878 BFGS: 144 09:51:53 -1474.085875 5.578442 BFGS: 145 09:51:53 -1472.029834 5.517107 BFGS: 146 09:51:53 -1469.978814 5.456327 BFGS: 147 09:51:53 -1467.932719 5.565833 BFGS: 148 09:51:53 -1465.890828 5.505433 BFGS: 149 09:51:53 -1463.854157 5.277403 BFGS: 150 09:51:53 -1461.826123 5.218687 BFGS: 151 09:51:53 -1459.803211 5.160471 BFGS: 152 09:51:53 -1457.785387 5.102861 BFGS: 153 09:51:54 -1455.773048 5.211343 BFGS: 154 09:51:54 -1453.764540 4.989111 BFGS: 155 09:51:54 -1451.764580 5.097064 BFGS: 156 09:51:54 -1449.768351 5.040577 BFGS: 157 09:51:54 -1447.777063 4.821686 BFGS: 158 09:51:54 -1445.794074 4.766755 BFGS: 159 09:51:54 -1443.815977 4.712359 BFGS: 160 09:51:54 -1441.843201 4.658454 BFGS: 161 09:51:54 -1439.875695 4.890333 BFGS: 162 09:51:54 -1437.911259 4.551877 BFGS: 163 09:51:54 -1435.956642 4.499050 BFGS: 164 09:51:54 -1434.006848 4.722874 BFGS: 165 09:51:54 -1432.059582 4.394832 BFGS: 166 09:51:54 -1430.121639 4.343246 BFGS: 167 09:51:54 -1428.188226 4.292203 BFGS: 168 09:51:54 -1426.259691 4.241677 BFGS: 169 09:51:54 -1424.336383 4.191613 BFGS: 170 09:51:55 -1422.417941 4.142017 BFGS: 171 09:51:55 -1420.504597 4.092863 BFGS: 172 09:51:55 -1418.596432 4.044134 BFGS: 173 09:51:55 -1416.693494 3.995818 BFGS: 174 09:51:55 -1414.795807 3.947911 BFGS: 175 09:51:55 -1412.903212 3.900407 BFGS: 176 09:51:55 -1411.015983 3.853285 BFGS: 177 09:51:55 -1409.133832 3.806558 BFGS: 178 09:51:55 -1407.256964 3.760206 BFGS: 179 09:51:56 -1405.385275 3.949154 BFGS: 180 09:51:56 -1403.516348 3.668518 BFGS: 181 09:51:56 -1401.655668 3.623102 BFGS: 182 09:51:56 -1399.800204 3.805675 BFGS: 183 09:51:56 -1397.947040 3.533391 BFGS: 184 09:51:56 -1396.101900 3.489008 BFGS: 185 09:51:56 -1394.261692 3.665570 BFGS: 186 09:51:56 -1392.423819 3.401390 BFGS: 187 09:51:56 -1390.594127 3.470971 BFGS: 188 09:51:56 -1388.767618 3.425913 BFGS: 189 09:51:56 -1386.945858 3.381279 BFGS: 190 09:51:56 -1385.129638 3.439646 BFGS: 191 09:51:56 -1383.316529 3.293102 BFGS: 192 09:51:56 -1381.509624 3.249609 BFGS: 193 09:51:56 -1379.707568 3.206506 BFGS: 194 09:51:56 -1377.909921 2.727831 BFGS: 195 09:51:57 -1376.123989 2.688488 BFGS: 196 09:51:57 -1374.342880 2.883435 BFGS: 197 09:51:57 -1372.563358 2.843917 BFGS: 198 09:51:57 -1370.788591 2.572457 BFGS: 199 09:51:57 -1369.022045 2.534412 BFGS: 200 09:51:57 -1367.260158 2.496720 BFGS: 201 09:51:57 -1365.503011 2.459363 BFGS: 202 09:51:57 -1363.750655 2.422324 BFGS: 203 09:51:57 -1362.002920 2.613914 BFGS: 204 09:51:57 -1360.256849 2.576626 BFGS: 205 09:51:57 -1358.515391 2.539660 BFGS: 206 09:51:57 -1356.778758 2.277061 BFGS: 207 09:51:57 -1355.050098 2.241480 BFGS: 208 09:51:57 -1353.326076 2.206200 BFGS: 209 09:51:57 -1351.606798 2.171215 BFGS: 210 09:51:57 -1349.892053 2.458714 BFGS: 211 09:51:57 -1348.177352 2.102021 BFGS: 212 09:51:57 -1346.472281 2.067808 BFGS: 213 09:51:58 -1344.771691 2.033898 BFGS: 214 09:51:58 -1343.075720 2.312285 BFGS: 215 09:51:58 -1341.379739 1.966855 BFGS: 216 09:51:58 -1339.693353 1.933732 BFGS: 217 09:51:58 -1338.011364 1.900898 BFGS: 218 09:51:58 -1336.333841 1.868346 BFGS: 219 09:51:58 -1334.660840 1.836062 BFGS: 220 09:51:58 -1332.992211 1.804049 BFGS: 221 09:51:58 -1331.328142 1.772292 BFGS: 222 09:51:59 -1329.668542 1.740792 BFGS: 223 09:51:59 -1328.013302 1.709545 BFGS: 224 09:51:59 -1326.362465 1.678549 BFGS: 225 09:51:59 -1324.716016 1.647801 BFGS: 226 09:51:59 -1323.074002 1.617292 BFGS: 227 09:51:59 -1321.436396 1.587029 BFGS: 228 09:51:59 -1319.803032 1.557004 BFGS: 229 09:51:59 -1318.174026 1.527212 BFGS: 230 09:51:59 -1316.549333 1.497656 BFGS: 231 09:51:59 -1314.929493 1.468018 BFGS: 232 09:51:59 -1313.313283 1.438931 BFGS: 233 09:52:00 -1311.701322 1.410071 BFGS: 234 09:52:00 -1310.093611 1.381437 BFGS: 235 09:52:00 -1308.490054 1.353032 BFGS: 236 09:52:00 -1306.890777 1.324845 BFGS: 237 09:52:00 -1305.295738 1.296876 BFGS: 238 09:52:00 -1303.704816 1.269131 BFGS: 239 09:52:00 -1302.118113 1.241599 BFGS: 240 09:52:00 -1300.535549 1.214283 BFGS: 241 09:52:00 -1298.957196 1.187178 BFGS: 242 09:52:00 -1297.382913 1.160286 BFGS: 243 09:52:00 -1295.812734 1.133605 BFGS: 244 09:52:00 -1294.246787 1.107127 BFGS: 245 09:52:00 -1292.684808 1.080860 BFGS: 246 09:52:01 -1291.126938 1.054798 BFGS: 247 09:52:01 -1289.573225 1.028934 BFGS: 248 09:52:01 -1288.023508 1.003272 BFGS: 249 09:52:01 -1286.477838 0.977813 BFGS: 250 09:52:01 -1284.936228 0.952548 BFGS: 251 09:52:01 -1283.398633 0.927482 BFGS: 252 09:52:01 -1281.865076 0.902608 BFGS: 253 09:52:01 -1280.335501 0.877929 BFGS: 254 09:52:01 -1278.810571 0.853272 BFGS: 255 09:52:01 -1277.288958 0.828976 BFGS: 256 09:52:01 -1275.771322 0.804867 BFGS: 257 09:52:01 -1274.257649 0.780950 BFGS: 258 09:52:02 -1272.747968 0.757216 BFGS: 259 09:52:02 -1271.242188 0.733667 BFGS: 260 09:52:02 -1269.740726 0.710247 BFGS: 261 09:52:03 -1268.242872 0.687064 BFGS: 262 09:52:03 -1266.748909 0.664060 BFGS: 263 09:52:03 -1265.258910 0.641235 BFGS: 264 09:52:03 -1263.772986 0.697914 BFGS: 265 09:52:04 -1262.289532 0.674105 BFGS: 266 09:52:04 -1260.809965 0.650488 BFGS: 267 09:52:04 -1259.334286 0.627059 BFGS: 268 09:52:04 -1257.862420 0.603817 BFGS: 269 09:52:04 -1256.394463 0.580762 BFGS: 270 09:52:04 -1254.930374 0.557890 BFGS: 271 09:52:05 -1253.470090 0.535203 BFGS: 272 09:52:05 -1252.013705 0.512696 BFGS: 273 09:52:05 -1250.561152 0.490370 BFGS: 274 09:52:05 -1249.112458 0.468222 BFGS: 275 09:52:05 -1247.667637 0.446252 BFGS: 276 09:52:05 -1246.226680 0.424457 BFGS: 277 09:52:06 -1244.789541 0.402838 BFGS: 278 09:52:06 -1243.356359 0.381388 BFGS: 279 09:52:06 -1241.927005 0.360114 BFGS: 280 09:52:06 -1240.501573 0.339010 BFGS: 281 09:52:06 -1239.080068 0.318072 BFGS: 282 09:52:06 -1237.662483 0.297303 BFGS: 283 09:52:06 -1236.248859 0.276702 BFGS: 284 09:52:06 -1234.839462 0.256265 BFGS: 285 09:52:06 -1233.433894 0.235993 BFGS: 286 09:52:06 -1232.032785 0.215820 BFGS: 287 09:52:07 -1230.635500 0.195874 BFGS: 288 09:52:07 -1229.242399 0.176091 BFGS: 289 09:52:07 -1227.853636 0.156467 BFGS: 290 09:52:07 -1226.469355 0.137001 BFGS: 291 09:52:07 -1225.089697 0.117692 BFGS: 292 09:52:07 -1223.715007 0.098538 BFGS: 293 09:52:07 -1222.345588 0.079543 BFGS: 294 09:52:07 -1220.982513 0.060705 BFGS: 295 09:52:08 -1219.626391 0.042023 BFGS: 296 09:52:08 -1218.281579 0.052993 BFGS: 297 09:52:08 -1219.179211 0.035756 BFGS: 298 09:52:08 -1218.951098 0.032466 BFGS: 299 09:52:08 -1218.088087 0.055256 BFGS: 300 09:52:08 -1218.758104 0.029617 BFGS: 301 09:52:08 -1218.639527 0.027846 BFGS: 302 09:52:08 -1217.959647 0.056547 BFGS: 303 09:52:09 -1218.511116 0.025775 BFGS: 304 09:52:09 -1218.429185 0.024427 BFGS: 305 09:52:09 -1217.852364 0.057375 BFGS: 306 09:52:09 -1218.321252 0.051813 BFGS: 307 09:52:09 -1219.421781 0.040284 BFGS: 308 09:52:09 -1218.981094 0.032853 BFGS: 309 09:52:09 -1217.933221 0.056043 BFGS: 310 09:52:09 -1218.663250 0.027298 BFGS: 311 09:52:10 -1218.500268 0.049280 BFGS: 312 09:52:10 -1218.612355 0.026151 BFGS: 313 09:52:10 -1218.588782 0.025524 BFGS: 314 09:52:10 -1218.162833 0.051227 BFGS: 315 09:52:10 -1218.433654 0.049019 BFGS: 316 09:52:10 -1219.068009 0.035442 BFGS: 317 09:52:10 -1218.738212 0.027148 BFGS: 318 09:52:10 -1218.243549 0.049938 BFGS: 319 09:52:10 -1218.564238 0.047141 BFGS: 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-1220.299774 0.016254 BFGS: 4042 09:53:21 -1221.520154 0.044147 BFGS: 4043 09:53:21 -1220.627933 0.011865 BFGS: 4044 09:53:21 -1220.816857 0.009338 BFGS: 4045 09:53:21 -1221.515364 0.044080 BFGS: 4046 09:53:21 -1220.938928 0.007704 BFGS: 4047 09:53:21 -1221.024675 0.006557 BFGS: 4048 09:53:21 -1221.514517 0.044068 BFGS: 4049 09:53:21 -1221.088113 0.005707 BFGS: 4050 09:53:21 -1221.137001 0.005052 BFGS: 4051 09:53:21 -1221.514065 0.044063 BFGS: 4052 09:53:21 -1221.175715 0.039510 BFGS: 4053 09:53:21 -1219.749481 0.023592 BFGS: 4054 09:53:21 -1220.282372 0.016486 BFGS: 4055 09:53:21 -1221.520261 0.044147 BFGS: 4056 09:53:21 -1220.618698 0.011988 BFGS: 4057 09:53:21 -1220.811155 0.009414 BFGS: 4058 09:53:21 -1221.515364 0.044080 BFGS: 4059 09:53:22 -1220.935050 0.007756 BFGS: 4060 09:53:22 -1221.021869 0.006594 BFGS: 4061 09:53:22 -1221.514561 0.044069 BFGS: 4062 09:53:22 -1221.085993 0.005736 BFGS: 4063 09:53:22 -1221.135345 0.005074 BFGS: 4064 09:53:22 -1221.514101 0.044063 BFGS: 4065 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-1221.515373 0.044080 BFGS: 4137 09:53:22 -1220.935387 0.007752 BFGS: 4138 09:53:22 -1221.022111 0.006591 BFGS: 4139 09:53:22 -1221.514507 0.044068 BFGS: 4140 09:53:22 -1221.086171 0.005733 BFGS: 4141 09:53:22 -1221.135478 0.005073 BFGS: 4142 09:53:22 -1221.514077 0.044063 BFGS: 4143 09:53:22 -1221.174563 0.004549 BFGS: 4144 09:53:22 -1221.206264 0.039921 BFGS: 4145 09:53:22 -1221.177742 0.039537 BFGS: 4146 09:53:22 -1219.752081 0.023554 BFGS: 4147 09:53:22 -1220.284042 0.016464 BFGS: 4148 09:53:22 -1221.520176 0.044145 BFGS: 4149 09:53:22 -1220.619566 0.011977 BFGS: 4150 09:53:22 -1220.811678 0.009407 BFGS: 4151 09:53:22 -1221.515375 0.044080 BFGS: 4152 09:53:22 -1220.935407 0.007752 BFGS: 4153 09:53:22 -1221.022126 0.006591 BFGS: 4154 09:53:23 -1221.514508 0.044068 BFGS: 4155 09:53:23 -1221.086182 0.005733 BFGS: 4156 09:53:23 -1221.135485 0.005072 BFGS: 4157 09:53:23 -1221.514011 0.044062 BFGS: 4158 09:53:23 -1221.174563 0.004549 BFGS: 4159 09:53:23 -1221.206260 0.039921 BFGS: 4160 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-1221.135481 0.005073 BFGS: 4232 09:53:23 -1221.514065 0.044063 BFGS: 4233 09:53:23 -1221.174564 0.004549 BFGS: 4234 09:53:23 -1221.206264 0.039921 BFGS: 4235 09:53:23 -1221.177743 0.039537 BFGS: 4236 09:53:23 -1219.752095 0.023554 BFGS: 4237 09:53:23 -1220.284049 0.016464 BFGS: 4238 09:53:23 -1221.520178 0.044145 BFGS: 4239 09:53:23 -1220.619572 0.011977 BFGS: 4240 09:53:23 -1220.811682 0.009407 BFGS: 4241 09:53:23 -1221.515365 0.044080 BFGS: 4242 09:53:23 -1220.935408 0.007752 BFGS: 4243 09:53:23 -1221.022127 0.006591 BFGS: 4244 09:53:23 -1221.514519 0.044068 BFGS: 4245 09:53:23 -1221.086183 0.005733 BFGS: 4246 09:53:23 -1221.135488 0.005072 BFGS: 4247 09:53:23 -1221.514022 0.044062 BFGS: 4248 09:53:23 -1221.174566 0.004549 BFGS: 4249 09:53:24 -1221.206263 0.039921 BFGS: 4250 09:53:24 -1221.177744 0.039537 BFGS: 4251 09:53:24 -1219.751872 0.023558 BFGS: 4252 09:53:24 -1220.283950 0.016465 BFGS: 4253 09:53:24 -1221.520196 0.044146 BFGS: 4254 09:53:24 -1220.619522 0.011978 BFGS: 4255 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-1221.085891 0.005737 BFGS: 4802 09:53:29 -1221.135264 0.005075 BFGS: 4803 09:53:29 -1221.514094 0.044063 BFGS: 4804 09:53:29 -1221.174393 0.004551 BFGS: 4805 09:53:29 -1221.206126 0.039919 BFGS: 4806 09:53:29 -1221.177578 0.039535 BFGS: 4807 09:53:29 -1219.751582 0.023563 BFGS: 4808 09:53:29 -1220.283777 0.016467 BFGS: 4809 09:53:29 -1221.520169 0.044145 BFGS: 4810 09:53:29 -1220.619424 0.011979 BFGS: 4811 09:53:29 -1220.811590 0.009409 BFGS: 4812 09:53:29 -1221.515376 0.044080 BFGS: 4813 09:53:29 -1220.935346 0.007752 BFGS: 4814 09:53:29 -1221.022084 0.006591 BFGS: 4815 09:53:29 -1221.514535 0.044069 BFGS: 4816 09:53:29 -1221.086153 0.005734 BFGS: 4817 09:53:29 -1221.135467 0.005073 BFGS: 4818 09:53:29 -1221.514081 0.044063 BFGS: 4819 09:53:30 -1221.174557 0.004549 BFGS: 4820 09:53:30 -1221.206260 0.039921 BFGS: 4821 09:53:30 -1221.177733 0.039537 BFGS: 4822 09:53:30 -1219.752002 0.023556 BFGS: 4823 09:53:30 -1220.284003 0.016464 BFGS: 4824 09:53:30 -1221.520153 0.044145 BFGS: 4825 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-1221.206688 0.039927 BFGS: 4897 09:53:30 -1219.769006 0.023350 BFGS: 4898 09:53:30 -1220.298871 0.016266 BFGS: 4899 09:53:30 -1221.520579 0.044163 BFGS: 4900 09:53:30 -1220.627529 0.011868 BFGS: 4901 09:53:30 -1220.816680 0.009339 BFGS: 4902 09:53:30 -1221.515417 0.044076 BFGS: 4903 09:53:30 -1220.938816 0.007706 BFGS: 4904 09:53:30 -1221.024601 0.006559 BFGS: 4905 09:53:30 -1221.514527 0.044065 BFGS: 4906 09:53:30 -1221.088058 0.005709 BFGS: 4907 09:53:30 -1221.136960 0.005054 BFGS: 4908 09:53:30 -1221.514118 0.044063 BFGS: 4909 09:53:30 -1221.175687 0.039509 BFGS: 4910 09:53:30 -1219.749617 0.023594 BFGS: 4911 09:53:30 -1220.282423 0.016487 BFGS: 4912 09:53:30 -1221.520197 0.044147 BFGS: 4913 09:53:30 -1220.618713 0.011989 BFGS: 4914 09:53:31 -1220.811154 0.009414 BFGS: 4915 09:53:31 -1221.515351 0.044081 BFGS: 4916 09:53:31 -1220.935046 0.007756 BFGS: 4917 09:53:31 -1221.021864 0.006594 BFGS: 4918 09:53:31 -1221.514558 0.044069 BFGS: 4919 09:53:31 -1221.085988 0.005735 BFGS: 4920 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-1220.284045 0.016464 BFGS: 5847 09:53:40 -1221.520196 0.044145 BFGS: 5848 09:53:40 -1220.619573 0.011977 BFGS: 5849 09:53:40 -1220.811685 0.009407 BFGS: 5850 09:53:40 -1221.515342 0.044080 BFGS: 5851 09:53:40 -1220.935407 0.007751 BFGS: 5852 09:53:40 -1221.022123 0.006591 BFGS: 5853 09:53:40 -1221.514514 0.044068 BFGS: 5854 09:53:40 -1221.086180 0.005733 BFGS: 5855 09:53:40 -1221.135485 0.005072 BFGS: 5856 09:53:40 -1221.514054 0.044062 BFGS: 5857 09:53:40 -1221.174567 0.004549 BFGS: 5858 09:53:40 -1221.206265 0.039921 BFGS: 5859 09:53:40 -1221.177745 0.039537 BFGS: 5860 09:53:40 -1219.751769 0.023560 BFGS: 5861 09:53:40 -1220.283903 0.016466 BFGS: 5862 09:53:40 -1221.520181 0.044146 BFGS: 5863 09:53:40 -1220.619494 0.011978 BFGS: 5864 09:53:40 -1220.811634 0.009408 BFGS: 5865 09:53:40 -1221.515367 0.044080 BFGS: 5866 09:53:41 -1220.935376 0.007752 BFGS: 5867 09:53:41 -1221.022105 0.006591 BFGS: 5868 09:53:41 -1221.514557 0.044069 BFGS: 5869 09:53:41 -1221.086170 0.005733 BFGS: 5870 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-1221.121097 0.005265 BFGS: 6702 09:53:49 -1221.514095 0.044063 BFGS: 6703 09:53:49 -1221.163046 0.004703 BFGS: 6704 09:53:49 -1221.196832 0.039794 BFGS: 6705 09:53:49 -1221.166624 0.004655 BFGS: 6706 09:53:49 -1221.169796 0.004613 BFGS: 6707 09:53:49 -1221.514154 0.044064 BFGS: 6708 09:53:49 -1221.202358 0.039868 BFGS: 6709 09:53:49 -1219.775418 0.020748 BFGS: 6710 09:53:49 -1218.353232 0.042345 BFGS: 6711 09:53:49 -1219.307283 0.029591 BFGS: 6712 09:53:49 -1220.736086 0.010397 BFGS: 6713 09:53:49 -1221.515625 0.044075 BFGS: 6714 09:53:49 -1220.885086 0.008422 BFGS: 6715 09:53:49 -1220.986237 0.007070 BFGS: 6716 09:53:49 -1221.514420 0.044062 BFGS: 6717 09:53:49 -1221.059266 0.006094 BFGS: 6718 09:53:49 -1221.114555 0.005353 BFGS: 6719 09:53:49 -1221.514174 0.044064 BFGS: 6720 09:53:49 -1221.157842 0.004773 BFGS: 6721 09:53:49 -1221.192596 0.039737 BFGS: 6722 09:53:49 -1221.161574 0.004723 BFGS: 6723 09:53:49 -1221.164877 0.004678 BFGS: 6724 09:53:50 -1221.514206 0.044064 BFGS: 6725 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-1221.024756 0.006556 BFGS: 6797 09:53:50 -1221.514516 0.044068 BFGS: 6798 09:53:50 -1221.088174 0.005707 BFGS: 6799 09:53:50 -1221.137050 0.005052 BFGS: 6800 09:53:50 -1221.514099 0.044063 BFGS: 6801 09:53:50 -1221.175758 0.039511 BFGS: 6802 09:53:50 -1219.749494 0.020401 BFGS: 6803 09:53:50 -1218.327279 0.042690 BFGS: 6804 09:53:50 -1219.289158 0.029833 BFGS: 6805 09:53:50 -1220.717612 0.010644 BFGS: 6806 09:53:50 -1221.515706 0.044076 BFGS: 6807 09:53:50 -1220.873065 0.008583 BFGS: 6808 09:53:50 -1220.977729 0.036852 BFGS: 6809 09:53:50 -1220.892858 0.008320 BFGS: 6810 09:53:50 -1220.908504 0.008111 BFGS: 6811 09:53:50 -1221.514301 0.044055 BFGS: 6812 09:53:50 -1221.002662 0.006852 BFGS: 6813 09:53:50 -1221.071501 0.005930 BFGS: 6814 09:53:50 -1221.514463 0.044067 BFGS: 6815 09:53:50 -1221.124033 0.005226 BFGS: 6816 09:53:50 -1221.165424 0.004671 BFGS: 6817 09:53:50 -1221.514007 0.044062 BFGS: 6818 09:53:50 -1221.198768 0.039820 BFGS: 6819 09:53:51 -1219.772388 0.023286 BFGS: 6820 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-1220.619421 0.011979 BFGS: 7177 09:53:54 -1220.811588 0.009409 BFGS: 7178 09:53:54 -1221.515382 0.044080 BFGS: 7179 09:53:54 -1220.935347 0.007752 BFGS: 7180 09:53:54 -1221.022085 0.006591 BFGS: 7181 09:53:54 -1221.514522 0.044068 BFGS: 7182 09:53:54 -1221.086080 0.038306 BFGS: 7183 09:53:54 -1219.660166 0.024782 BFGS: 7184 09:53:54 -1220.219946 0.017319 BFGS: 7185 09:53:54 -1221.520765 0.044153 BFGS: 7186 09:53:54 -1220.586153 0.012424 BFGS: 7187 09:53:54 -1220.791286 0.009680 BFGS: 7188 09:53:54 -1221.515468 0.044081 BFGS: 7189 09:53:54 -1220.921640 0.007936 BFGS: 7190 09:53:54 -1221.012217 0.006723 BFGS: 7191 09:53:54 -1221.514498 0.044068 BFGS: 7192 09:53:54 -1221.078702 0.005833 BFGS: 7193 09:53:54 -1221.129642 0.005151 BFGS: 7194 09:53:54 -1221.514135 0.044064 BFGS: 7195 09:53:54 -1221.169883 0.004612 BFGS: 7196 09:53:54 -1221.202430 0.039869 BFGS: 7197 09:53:54 -1221.173264 0.004566 BFGS: 7198 09:53:54 -1221.176198 0.039516 BFGS: 7199 09:53:54 -1221.173575 0.004562 BFGS: 7200 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-1220.936062 0.007743 BFGS: 7367 09:53:56 -1221.022598 0.006584 BFGS: 7368 09:53:56 -1221.514478 0.044068 BFGS: 7369 09:53:56 -1221.086535 0.005728 BFGS: 7370 09:53:56 -1221.135762 0.005069 BFGS: 7371 09:53:56 -1221.514142 0.044064 BFGS: 7372 09:53:56 -1221.174798 0.004546 BFGS: 7373 09:53:56 -1221.206463 0.039923 BFGS: 7374 09:53:56 -1221.177969 0.039540 BFGS: 7375 09:53:56 -1219.752020 0.023556 BFGS: 7376 09:53:56 -1220.284072 0.016463 BFGS: 7377 09:53:56 -1221.520199 0.044146 BFGS: 7378 09:53:56 -1220.619586 0.011977 BFGS: 7379 09:53:56 -1220.811693 0.009407 BFGS: 7380 09:53:56 -1221.515360 0.044080 BFGS: 7381 09:53:56 -1220.935416 0.007751 BFGS: 7382 09:53:56 -1221.022132 0.006591 BFGS: 7383 09:53:56 -1221.514492 0.044068 BFGS: 7384 09:53:56 -1221.086185 0.005733 BFGS: 7385 09:53:56 -1221.135487 0.005072 BFGS: 7386 09:53:56 -1221.514025 0.044062 BFGS: 7387 09:53:56 -1221.174566 0.004549 BFGS: 7388 09:53:56 -1221.206263 0.039921 BFGS: 7389 09:53:56 -1221.177744 0.039537 BFGS: 7390 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0.044068 BFGS: 7438 09:53:57 -1221.085242 0.005746 BFGS: 7439 09:53:57 -1221.134677 0.038959 BFGS: 7440 09:53:57 -1221.091605 0.005661 BFGS: 7441 09:53:57 -1221.097005 0.038453 BFGS: 7442 09:53:57 -1221.092305 0.005651 BFGS: 7443 09:53:57 -1221.092917 0.005643 BFGS: 7444 09:53:57 -1221.517910 0.044117 BFGS: 7445 09:53:57 -1221.141111 0.004997 BFGS: 7446 09:53:57 -1221.179379 0.039560 BFGS: 7447 09:53:57 -1221.145412 0.004939 BFGS: 7448 09:53:57 -1221.149190 0.004889 BFGS: 7449 09:53:57 -1221.513728 0.044059 BFGS: 7450 09:53:57 -1221.185531 0.039642 BFGS: 7451 09:53:57 -1219.759938 0.023453 BFGS: 7452 09:53:57 -1220.289518 0.016390 BFGS: 7453 09:53:57 -1221.520087 0.044145 BFGS: 7454 09:53:57 -1220.622461 0.011938 BFGS: 7455 09:53:57 -1220.813455 0.009383 BFGS: 7456 09:53:57 -1221.515334 0.044079 BFGS: 7457 09:53:57 -1220.936609 0.007735 BFGS: 7458 09:53:57 -1221.022991 0.006579 BFGS: 7459 09:53:57 -1221.514489 0.044067 BFGS: 7460 09:53:57 -1221.086834 0.005725 BFGS: 7461 09:53:57 -1221.135996 0.005066 BFGS: 7462 09:53:57 -1221.514074 0.044062 BFGS: 7463 09:53:57 -1221.174981 0.004543 BFGS: 7464 09:53:57 -1221.206607 0.039925 BFGS: 7465 09:53:57 -1221.178147 0.039543 BFGS: 7466 09:53:57 -1219.752403 0.023550 BFGS: 7467 09:53:57 -1220.284287 0.016460 BFGS: 7468 09:53:57 -1221.520191 0.044144 BFGS: 7469 09:53:57 -1220.619700 0.011975 BFGS: 7470 09:53:57 -1220.811764 0.009406 BFGS: 7471 09:53:57 -1221.515369 0.044080 BFGS: 7472 09:53:57 -1220.935465 0.007751 BFGS: 7473 09:53:57 -1221.022167 0.006590 BFGS: 7474 09:53:57 -1221.514484 0.044068 BFGS: 7475 09:53:57 -1221.086211 0.005733 BFGS: 7476 09:53:57 -1221.135507 0.005072 BFGS: 7477 09:53:57 -1221.514059 0.044063 BFGS: 7478 09:53:57 -1221.174587 0.004548 BFGS: 7479 09:53:57 -1221.206281 0.039921 BFGS: 7480 09:53:57 -1221.177763 0.039538 BFGS: 7481 09:53:57 -1219.751481 0.020428 BFGS: 7482 09:53:57 -1218.329075 0.042667 BFGS: 7483 09:53:57 -1219.290504 0.029815 BFGS: 7484 09:53:57 -1220.719080 0.010624 BFGS: 7485 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-1219.751955 0.020437 BFGS: 7557 09:53:58 -1218.329331 0.042661 BFGS: 7558 09:53:58 -1219.290788 0.029811 BFGS: 7559 09:53:58 -1220.719168 0.033406 BFGS: 7560 09:53:58 -1219.963689 0.020721 BFGS: 7561 09:53:58 -1220.253145 0.016872 BFGS: 7562 09:53:58 -1221.519313 0.044122 BFGS: 7563 09:53:58 -1220.603121 0.012197 BFGS: 7564 09:53:58 -1220.801406 0.009545 BFGS: 7565 09:53:58 -1221.515395 0.044079 BFGS: 7566 09:53:58 -1220.928451 0.007845 BFGS: 7567 09:53:58 -1221.017108 0.006658 BFGS: 7568 09:53:58 -1221.514543 0.044069 BFGS: 7569 09:53:58 -1221.082393 0.005784 BFGS: 7570 09:53:58 -1221.132528 0.005112 BFGS: 7571 09:53:58 -1221.514087 0.044063 BFGS: 7572 09:53:58 -1221.172194 0.004580 BFGS: 7573 09:53:58 -1221.204320 0.039894 BFGS: 7574 09:53:58 -1221.175511 0.004536 BFGS: 7575 09:53:58 -1221.178385 0.039546 BFGS: 7576 09:53:58 -1221.175742 0.039510 BFGS: 7577 09:53:58 -1219.746868 0.023637 BFGS: 7578 09:53:58 -1220.281215 0.016502 BFGS: 7579 09:53:58 -1221.520488 0.044151 BFGS: 7580 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-1220.290916 0.016372 BFGS: 7842 09:54:01 -1221.520198 0.044145 BFGS: 7843 09:54:01 -1220.623224 0.011928 BFGS: 7844 09:54:01 -1220.813945 0.009377 BFGS: 7845 09:54:01 -1221.515339 0.044079 BFGS: 7846 09:54:01 -1220.936944 0.007731 BFGS: 7847 09:54:01 -1221.023237 0.006576 BFGS: 7848 09:54:01 -1221.514540 0.044068 BFGS: 7849 09:54:01 -1221.087026 0.005722 BFGS: 7850 09:54:01 -1221.136152 0.005064 BFGS: 7851 09:54:01 -1221.514080 0.044063 BFGS: 7852 09:54:01 -1221.175106 0.004541 BFGS: 7853 09:54:01 -1221.206711 0.039927 BFGS: 7854 09:54:01 -1221.178269 0.039544 BFGS: 7855 09:54:01 -1219.752325 0.023552 BFGS: 7856 09:54:01 -1220.284283 0.016461 BFGS: 7857 09:54:01 -1221.520192 0.044146 BFGS: 7858 09:54:01 -1220.619698 0.011975 BFGS: 7859 09:54:01 -1220.811763 0.009406 BFGS: 7860 09:54:01 -1221.515377 0.044080 BFGS: 7861 09:54:01 -1220.935466 0.007751 BFGS: 7862 09:54:01 -1221.022171 0.006590 BFGS: 7863 09:54:01 -1221.514521 0.044068 BFGS: 7864 09:54:01 -1221.086217 0.005733 BFGS: 7865 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-1220.283836 0.016467 BFGS: 8032 09:54:03 -1221.520215 0.044146 BFGS: 8033 09:54:03 -1220.619464 0.011978 BFGS: 8034 09:54:03 -1220.811622 0.009408 BFGS: 8035 09:54:03 -1221.515359 0.044080 BFGS: 8036 09:54:03 -1220.935368 0.007752 BFGS: 8037 09:54:03 -1221.022097 0.006591 BFGS: 8038 09:54:03 -1221.514492 0.044068 BFGS: 8039 09:54:03 -1221.086158 0.005734 BFGS: 8040 09:54:03 -1221.135467 0.005073 BFGS: 8041 09:54:03 -1221.514050 0.044062 BFGS: 8042 09:54:03 -1221.174554 0.004549 BFGS: 8043 09:54:03 -1221.206254 0.039920 BFGS: 8044 09:54:03 -1221.177730 0.039537 BFGS: 8045 09:54:03 -1219.751733 0.023560 BFGS: 8046 09:54:03 -1220.283884 0.016466 BFGS: 8047 09:54:03 -1221.520199 0.044146 BFGS: 8048 09:54:03 -1220.619486 0.011978 BFGS: 8049 09:54:03 -1220.811558 0.034622 BFGS: 8050 09:54:03 -1220.668870 0.011318 BFGS: 8051 09:54:03 -1220.704038 0.010847 BFGS: 8052 09:54:03 -1221.515489 0.044082 BFGS: 8053 09:54:03 -1220.864220 0.008704 BFGS: 8054 09:54:03 -1220.971586 0.007267 BFGS: 8055 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0.006591 BFGS: 8103 09:54:04 -1221.514500 0.044068 BFGS: 8104 09:54:04 -1221.086177 0.005733 BFGS: 8105 09:54:04 -1221.135482 0.005072 BFGS: 8106 09:54:04 -1221.514054 0.044063 BFGS: 8107 09:54:04 -1221.174564 0.004549 BFGS: 8108 09:54:04 -1221.206263 0.039921 BFGS: 8109 09:54:04 -1221.177743 0.039537 BFGS: 8110 09:54:04 -1219.752053 0.023555 BFGS: 8111 09:54:04 -1220.283956 0.027547 BFGS: 8112 09:54:04 -1219.997217 0.020289 BFGS: 8113 09:54:04 -1220.118854 0.018667 BFGS: 8114 09:54:04 -1221.520172 0.044144 BFGS: 8115 09:54:04 -1220.534994 0.013108 BFGS: 8116 09:54:04 -1220.760429 0.010093 BFGS: 8117 09:54:04 -1221.515646 0.044084 BFGS: 8118 09:54:04 -1220.901078 0.008211 BFGS: 8119 09:54:04 -1220.997552 0.006920 BFGS: 8120 09:54:04 -1221.514523 0.044068 BFGS: 8121 09:54:04 -1221.067706 0.005981 BFGS: 8122 09:54:04 -1221.121021 0.038775 BFGS: 8123 09:54:04 -1221.074840 0.005885 BFGS: 8124 09:54:04 -1221.080935 0.005803 BFGS: 8125 09:54:04 -1221.514380 0.044068 BFGS: 8126 09:54:04 -1221.131373 0.005128 BFGS: 8127 09:54:04 -1221.171294 0.004592 BFGS: 8128 09:54:04 -1221.513968 0.044061 BFGS: 8129 09:54:04 -1221.203571 0.039885 BFGS: 8130 09:54:04 -1219.777356 0.023220 BFGS: 8131 09:54:04 -1220.301821 0.016227 BFGS: 8132 09:54:04 -1221.520025 0.044144 BFGS: 8133 09:54:04 -1220.629003 0.011851 BFGS: 8134 09:54:04 -1220.817499 0.009329 BFGS: 8135 09:54:04 -1221.515351 0.044080 BFGS: 8136 09:54:04 -1220.939364 0.007699 BFGS: 8137 09:54:04 -1221.024989 0.006552 BFGS: 8138 09:54:04 -1221.514513 0.044069 BFGS: 8139 09:54:04 -1221.088350 0.005704 BFGS: 8140 09:54:04 -1221.137187 0.005050 BFGS: 8141 09:54:04 -1221.514123 0.044063 BFGS: 8142 09:54:04 -1221.175872 0.039512 BFGS: 8143 09:54:04 -1219.749666 0.023589 BFGS: 8144 09:54:04 -1220.282495 0.016484 BFGS: 8145 09:54:04 -1221.520240 0.044146 BFGS: 8146 09:54:04 -1220.618760 0.011988 BFGS: 8147 09:54:04 -1220.811190 0.009414 BFGS: 8148 09:54:04 -1221.515356 0.044080 BFGS: 8149 09:54:04 -1220.935073 0.007756 BFGS: 8150 09:54:04 -1221.021883 0.006594 BFGS: 8151 09:54:04 -1221.514492 0.044068 BFGS: 8152 09:54:04 -1221.085996 0.005736 BFGS: 8153 09:54:05 -1221.135341 0.005074 BFGS: 8154 09:54:05 -1221.514094 0.044063 BFGS: 8155 09:54:05 -1221.174455 0.004550 BFGS: 8156 09:54:05 -1221.206176 0.039920 BFGS: 8157 09:54:05 -1221.177636 0.039536 BFGS: 8158 09:54:05 -1219.751650 0.023561 BFGS: 8159 09:54:05 -1220.283822 0.016467 BFGS: 8160 09:54:05 -1221.520206 0.044145 BFGS: 8161 09:54:05 -1220.619457 0.011978 BFGS: 8162 09:54:05 -1220.811616 0.009408 BFGS: 8163 09:54:05 -1221.515356 0.044080 BFGS: 8164 09:54:05 -1220.935363 0.007752 BFGS: 8165 09:54:05 -1221.022094 0.006591 BFGS: 8166 09:54:05 -1221.514536 0.044069 BFGS: 8167 09:54:05 -1221.086161 0.005733 BFGS: 8168 09:54:05 -1221.135474 0.005073 BFGS: 8169 09:54:05 -1221.514082 0.044063 BFGS: 8170 09:54:05 -1221.174560 0.004549 BFGS: 8171 09:54:05 -1221.206263 0.039921 BFGS: 8172 09:54:05 -1221.177738 0.039537 BFGS: 8173 09:54:05 -1219.752094 0.023554 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0.005733 BFGS: 8198 09:54:05 -1221.135487 0.005072 BFGS: 8199 09:54:05 -1221.514032 0.044062 BFGS: 8200 09:54:05 -1221.174566 0.004549 BFGS: 8201 09:54:05 -1221.206262 0.039921 BFGS: 8202 09:54:05 -1221.177745 0.039537 BFGS: 8203 09:54:05 -1219.751882 0.023558 BFGS: 8204 09:54:05 -1220.283953 0.016465 BFGS: 8205 09:54:05 -1221.520174 0.044145 BFGS: 8206 09:54:05 -1220.619519 0.011978 BFGS: 8207 09:54:05 -1220.811648 0.009408 BFGS: 8208 09:54:05 -1221.515350 0.044080 BFGS: 8209 09:54:05 -1220.935383 0.007752 BFGS: 8210 09:54:05 -1221.022107 0.006591 BFGS: 8211 09:54:05 -1221.514513 0.044068 BFGS: 8212 09:54:05 -1221.086167 0.005733 BFGS: 8213 09:54:05 -1221.135477 0.005073 BFGS: 8214 09:54:05 -1221.514113 0.044063 BFGS: 8215 09:54:05 -1221.174565 0.004549 BFGS: 8216 09:54:05 -1221.206268 0.039921 BFGS: 8217 09:54:05 -1221.177744 0.039537 BFGS: 8218 09:54:05 -1219.751713 0.023561 BFGS: 8219 09:54:05 -1220.283877 0.016466 BFGS: 8220 09:54:05 -1221.520168 0.044145 BFGS: 8221 09:54:05 -1220.619476 0.011978 BFGS: 8222 09:54:05 -1220.811621 0.009408 BFGS: 8223 09:54:05 -1221.515387 0.044080 BFGS: 8224 09:54:05 -1220.935372 0.007752 BFGS: 8225 09:54:05 -1221.022104 0.006591 BFGS: 8226 09:54:05 -1221.514475 0.044068 BFGS: 8227 09:54:05 -1221.086160 0.005733 BFGS: 8228 09:54:05 -1221.135467 0.005073 BFGS: 8229 09:54:05 -1221.514115 0.044063 BFGS: 8230 09:54:05 -1221.174558 0.004549 BFGS: 8231 09:54:05 -1221.206263 0.039921 BFGS: 8232 09:54:05 -1221.177736 0.039537 BFGS: 8233 09:54:05 -1219.752185 0.023553 BFGS: 8234 09:54:05 -1220.284086 0.016463 BFGS: 8235 09:54:05 -1221.520178 0.044144 BFGS: 8236 09:54:05 -1220.619589 0.011977 BFGS: 8237 09:54:05 -1220.811692 0.009407 BFGS: 8238 09:54:05 -1221.515364 0.044080 BFGS: 8239 09:54:05 -1220.935415 0.007751 BFGS: 8240 09:54:05 -1221.022131 0.006591 BFGS: 8241 09:54:05 -1221.514504 0.044068 BFGS: 8242 09:54:05 -1221.086186 0.005733 BFGS: 8243 09:54:05 -1221.135489 0.005072 BFGS: 8244 09:54:05 -1221.514046 0.044062 BFGS: 8245 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-1221.514514 0.044068 BFGS: 8317 09:54:06 -1221.086183 0.005733 BFGS: 8318 09:54:06 -1221.135488 0.005072 BFGS: 8319 09:54:06 -1221.514025 0.044062 BFGS: 8320 09:54:06 -1221.174567 0.004549 BFGS: 8321 09:54:06 -1221.206262 0.039921 BFGS: 8322 09:54:06 -1221.177744 0.039537 BFGS: 8323 09:54:06 -1219.751768 0.023560 BFGS: 8324 09:54:06 -1220.283901 0.016466 BFGS: 8325 09:54:06 -1221.520199 0.044145 BFGS: 8326 09:54:06 -1220.619423 0.032045 BFGS: 8327 09:54:06 -1219.195113 0.031176 BFGS: 8328 09:54:06 -1219.896216 0.021623 BFGS: 8329 09:54:06 -1221.310085 0.041277 BFGS: 8330 09:54:06 -1220.381826 0.015158 BFGS: 8331 09:54:06 -1220.630800 0.011830 BFGS: 8332 09:54:06 -1221.515970 0.044083 BFGS: 8333 09:54:06 -1220.817862 0.034705 BFGS: 8334 09:54:06 -1219.393777 0.028447 BFGS: 8335 09:54:06 -1220.034210 0.019783 BFGS: 8336 09:54:06 -1221.446705 0.043109 BFGS: 8337 09:54:06 -1220.478079 0.013871 BFGS: 8338 09:54:06 -1220.713519 0.010723 BFGS: 8339 09:54:06 -1221.515665 0.044080 BFGS: 8340 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-1221.135540 0.005072 BFGS: 8412 09:54:07 -1221.514022 0.044062 BFGS: 8413 09:54:07 -1221.174611 0.004548 BFGS: 8414 09:54:07 -1221.206297 0.039921 BFGS: 8415 09:54:07 -1221.177784 0.039538 BFGS: 8416 09:54:07 -1219.752084 0.023555 BFGS: 8417 09:54:07 -1220.284054 0.016463 BFGS: 8418 09:54:07 -1221.520174 0.044144 BFGS: 8419 09:54:07 -1220.619573 0.011977 BFGS: 8420 09:54:07 -1220.811681 0.009407 BFGS: 8421 09:54:07 -1221.515337 0.044080 BFGS: 8422 09:54:07 -1220.935403 0.007752 BFGS: 8423 09:54:07 -1221.022120 0.006591 BFGS: 8424 09:54:07 -1221.514531 0.044069 BFGS: 8425 09:54:07 -1221.086179 0.005733 BFGS: 8426 09:54:07 -1221.135486 0.005072 BFGS: 8427 09:54:07 -1221.514031 0.044062 BFGS: 8428 09:54:07 -1221.174566 0.004549 BFGS: 8429 09:54:07 -1221.206263 0.039921 BFGS: 8430 09:54:07 -1221.177744 0.039537 BFGS: 8431 09:54:07 -1219.751829 0.023559 BFGS: 8432 09:54:07 -1220.283929 0.016465 BFGS: 8433 09:54:07 -1221.520166 0.044145 BFGS: 8434 09:54:07 -1220.619506 0.011978 BFGS: 8435 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-1221.136480 0.005059 BFGS: 8507 09:54:08 -1221.514119 0.044063 BFGS: 8508 09:54:08 -1221.175374 0.004538 BFGS: 8509 09:54:08 -1221.206934 0.039930 BFGS: 8510 09:54:08 -1221.178529 0.039548 BFGS: 8511 09:54:08 -1219.752452 0.023552 BFGS: 8512 09:54:08 -1220.284405 0.016459 BFGS: 8513 09:54:08 -1221.520192 0.044146 BFGS: 8514 09:54:08 -1220.619761 0.011974 BFGS: 8515 09:54:08 -1220.811801 0.009406 BFGS: 8516 09:54:08 -1221.515381 0.044080 BFGS: 8517 09:54:08 -1220.935493 0.007750 BFGS: 8518 09:54:08 -1221.022190 0.006590 BFGS: 8519 09:54:08 -1221.514504 0.044068 BFGS: 8520 09:54:08 -1221.086230 0.005733 BFGS: 8521 09:54:08 -1221.135526 0.005072 BFGS: 8522 09:54:08 -1221.514150 0.044064 BFGS: 8523 09:54:08 -1221.174609 0.004548 BFGS: 8524 09:54:08 -1221.206308 0.039921 BFGS: 8525 09:54:08 -1221.177785 0.039538 BFGS: 8526 09:54:08 -1219.752028 0.023556 BFGS: 8527 09:54:08 -1220.284027 0.016464 BFGS: 8528 09:54:08 -1221.520149 0.044145 BFGS: 8529 09:54:08 -1220.619553 0.011977 BFGS: 8530 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-1221.514540 0.044068 BFGS: 8602 09:54:09 -1221.087602 0.005714 BFGS: 8603 09:54:09 -1221.136601 0.005058 BFGS: 8604 09:54:09 -1221.514010 0.044062 BFGS: 8605 09:54:09 -1221.175461 0.004537 BFGS: 8606 09:54:09 -1221.206997 0.039930 BFGS: 8607 09:54:09 -1221.178615 0.039549 BFGS: 8608 09:54:09 -1219.752607 0.023549 BFGS: 8609 09:54:09 -1220.284495 0.016458 BFGS: 8610 09:54:09 -1221.520174 0.044145 BFGS: 8611 09:54:09 -1220.619806 0.011974 BFGS: 8612 09:54:09 -1220.811826 0.009405 BFGS: 8613 09:54:09 -1221.515357 0.044080 BFGS: 8614 09:54:09 -1220.935505 0.007750 BFGS: 8615 09:54:09 -1221.022196 0.006590 BFGS: 8616 09:54:09 -1221.514526 0.044068 BFGS: 8617 09:54:09 -1221.086236 0.005732 BFGS: 8618 09:54:09 -1221.135533 0.005072 BFGS: 8619 09:54:09 -1221.514114 0.044063 BFGS: 8620 09:54:09 -1221.174612 0.004548 BFGS: 8621 09:54:09 -1221.206307 0.039921 BFGS: 8622 09:54:09 -1221.177788 0.039538 BFGS: 8623 09:54:09 -1219.751946 0.023557 BFGS: 8624 09:54:09 -1220.283991 0.016464 BFGS: 8625 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-1221.198693 0.039819 BFGS: 8697 09:54:10 -1219.771230 0.023306 BFGS: 8698 09:54:10 -1220.297856 0.016281 BFGS: 8699 09:54:10 -1221.520164 0.044148 BFGS: 8700 09:54:10 -1220.626913 0.011879 BFGS: 8701 09:54:10 -1220.816226 0.009346 BFGS: 8702 09:54:10 -1221.515352 0.044080 BFGS: 8703 09:54:10 -1220.938497 0.007710 BFGS: 8704 09:54:10 -1221.024362 0.006561 BFGS: 8705 09:54:10 -1221.514518 0.044069 BFGS: 8706 09:54:10 -1221.087873 0.005710 BFGS: 8707 09:54:10 -1221.136815 0.005055 BFGS: 8708 09:54:10 -1221.514173 0.044064 BFGS: 8709 09:54:10 -1221.175577 0.039508 BFGS: 8710 09:54:10 -1219.749369 0.023593 BFGS: 8711 09:54:10 -1220.282288 0.016487 BFGS: 8712 09:54:10 -1221.520247 0.044146 BFGS: 8713 09:54:10 -1220.618651 0.011989 BFGS: 8714 09:54:10 -1220.811123 0.009415 BFGS: 8715 09:54:10 -1221.515335 0.044079 BFGS: 8716 09:54:10 -1220.935026 0.007757 BFGS: 8717 09:54:10 -1221.021846 0.006594 BFGS: 8718 09:54:10 -1221.514496 0.044068 BFGS: 8719 09:54:10 -1221.085969 0.005736 BFGS: 8720 09:54:10 -1221.135320 0.005075 BFGS: 8721 09:54:10 -1221.514077 0.044063 BFGS: 8722 09:54:10 -1221.174436 0.004550 BFGS: 8723 09:54:10 -1221.206160 0.039919 BFGS: 8724 09:54:10 -1221.177618 0.039536 BFGS: 8725 09:54:11 -1219.751717 0.023560 BFGS: 8726 09:54:11 -1220.283848 0.016466 BFGS: 8727 09:54:11 -1221.520167 0.044145 BFGS: 8728 09:54:11 -1220.619460 0.011978 BFGS: 8729 09:54:11 -1220.811538 0.034621 BFGS: 8730 09:54:11 -1220.668846 0.011318 BFGS: 8731 09:54:11 -1220.704015 0.010848 BFGS: 8732 09:54:11 -1221.515472 0.044082 BFGS: 8733 09:54:11 -1220.864204 0.008705 BFGS: 8734 09:54:11 -1220.971573 0.007268 BFGS: 8735 09:54:11 -1221.514683 0.044070 BFGS: 8736 09:54:11 -1221.048447 0.006238 BFGS: 8737 09:54:11 -1221.106258 0.005464 BFGS: 8738 09:54:11 -1221.514246 0.044065 BFGS: 8739 09:54:11 -1221.151265 0.004861 BFGS: 8740 09:54:11 -1221.187259 0.039665 BFGS: 8741 09:54:11 -1221.155203 0.004808 BFGS: 8742 09:54:11 -1221.158678 0.004762 BFGS: 8743 09:54:11 -1221.514736 0.044072 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-1220.818061 0.009322 BFGS: 8792 09:54:11 -1221.515304 0.044079 BFGS: 8793 09:54:11 -1220.939739 0.007694 BFGS: 8794 09:54:11 -1221.025255 0.006549 BFGS: 8795 09:54:11 -1221.514506 0.044068 BFGS: 8796 09:54:11 -1221.088550 0.005701 BFGS: 8797 09:54:11 -1221.137344 0.005048 BFGS: 8798 09:54:11 -1221.514135 0.044064 BFGS: 8799 09:54:11 -1221.175999 0.039514 BFGS: 8800 09:54:11 -1219.749764 0.023588 BFGS: 8801 09:54:11 -1220.282568 0.016483 BFGS: 8802 09:54:11 -1221.520207 0.044146 BFGS: 8803 09:54:11 -1220.618716 0.032035 BFGS: 8804 09:54:11 -1219.194435 0.031185 BFGS: 8805 09:54:11 -1219.895734 0.021630 BFGS: 8806 09:54:11 -1221.309599 0.041270 BFGS: 8807 09:54:11 -1220.381486 0.015163 BFGS: 8808 09:54:11 -1220.630503 0.011834 BFGS: 8809 09:54:11 -1221.516005 0.044083 BFGS: 8810 09:54:11 -1220.817756 0.009327 BFGS: 8811 09:54:11 -1220.939629 0.007696 BFGS: 8812 09:54:11 -1221.514844 0.044073 BFGS: 8813 09:54:11 -1221.025116 0.006551 BFGS: 8814 09:54:11 -1221.088485 0.005702 BFGS: 8815 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-1221.177766 0.039538 BFGS: 8887 09:54:12 -1219.751607 0.023563 BFGS: 8888 09:54:12 -1220.283838 0.016467 BFGS: 8889 09:54:12 -1221.520200 0.044146 BFGS: 8890 09:54:12 -1220.619463 0.011978 BFGS: 8891 09:54:12 -1220.811619 0.009408 BFGS: 8892 09:54:12 -1221.515385 0.044080 BFGS: 8893 09:54:12 -1220.935370 0.007752 BFGS: 8894 09:54:12 -1221.022102 0.006591 BFGS: 8895 09:54:12 -1221.514498 0.044068 BFGS: 8896 09:54:12 -1221.086161 0.005733 BFGS: 8897 09:54:12 -1221.135471 0.005073 BFGS: 8898 09:54:12 -1221.514122 0.044063 BFGS: 8899 09:54:12 -1221.174561 0.004549 BFGS: 8900 09:54:12 -1221.206266 0.039921 BFGS: 8901 09:54:12 -1221.177740 0.039537 BFGS: 8902 09:54:12 -1219.752005 0.023556 BFGS: 8903 09:54:12 -1220.284006 0.016464 BFGS: 8904 09:54:12 -1221.520171 0.044145 BFGS: 8905 09:54:12 -1220.619546 0.011977 BFGS: 8906 09:54:12 -1220.811664 0.009407 BFGS: 8907 09:54:12 -1221.515371 0.044080 BFGS: 8908 09:54:12 -1220.935398 0.007752 BFGS: 8909 09:54:12 -1221.022120 0.006591 BFGS: 8910 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-1221.520185 0.044145 BFGS: 9172 09:54:15 -1220.619484 0.011978 BFGS: 9173 09:54:15 -1220.811628 0.009408 BFGS: 9174 09:54:15 -1221.515383 0.044080 BFGS: 9175 09:54:15 -1220.935376 0.007752 BFGS: 9176 09:54:15 -1221.022106 0.006591 BFGS: 9177 09:54:15 -1221.514501 0.044068 BFGS: 9178 09:54:15 -1221.086165 0.005733 BFGS: 9179 09:54:15 -1221.135474 0.005073 BFGS: 9180 09:54:15 -1221.514136 0.044063 BFGS: 9181 09:54:15 -1221.174565 0.004549 BFGS: 9182 09:54:15 -1221.206270 0.039921 BFGS: 9183 09:54:15 -1221.177744 0.039537 BFGS: 9184 09:54:15 -1219.751727 0.023560 BFGS: 9185 09:54:15 -1220.283810 0.027545 BFGS: 9186 09:54:15 -1219.996933 0.023708 BFGS: 9187 09:54:15 -1218.573697 0.039426 BFGS: 9188 09:54:15 -1219.461872 0.027534 BFGS: 9189 09:54:15 -1220.891467 0.008315 BFGS: 9190 09:54:15 -1221.515098 0.044072 BFGS: 9191 09:54:15 -1220.990704 0.007007 BFGS: 9192 09:54:15 -1221.062672 0.006047 BFGS: 9193 09:54:15 -1221.514211 0.044058 BFGS: 9194 09:54:15 -1221.117167 0.005318 BFGS: 9195 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-1219.749488 0.023592 BFGS: 9267 09:54:16 -1220.282384 0.016486 BFGS: 9268 09:54:16 -1221.520215 0.044146 BFGS: 9269 09:54:16 -1220.618695 0.011989 BFGS: 9270 09:54:16 -1220.811146 0.009414 BFGS: 9271 09:54:16 -1221.515362 0.044080 BFGS: 9272 09:54:16 -1220.935043 0.007756 BFGS: 9273 09:54:16 -1221.021863 0.006594 BFGS: 9274 09:54:16 -1221.514549 0.044069 BFGS: 9275 09:54:16 -1221.085989 0.005736 BFGS: 9276 09:54:16 -1221.135340 0.005074 BFGS: 9277 09:54:16 -1221.514058 0.044062 BFGS: 9278 09:54:16 -1221.174451 0.004550 BFGS: 9279 09:54:16 -1221.206170 0.039919 BFGS: 9280 09:54:16 -1221.177633 0.039536 BFGS: 9281 09:54:16 -1219.751737 0.023560 BFGS: 9282 09:54:16 -1220.283860 0.016466 BFGS: 9283 09:54:16 -1221.520182 0.044145 BFGS: 9284 09:54:16 -1220.619469 0.011978 BFGS: 9285 09:54:16 -1220.811620 0.009408 BFGS: 9286 09:54:16 -1221.515409 0.044081 BFGS: 9287 09:54:16 -1220.935374 0.007752 BFGS: 9288 09:54:16 -1221.022108 0.006591 BFGS: 9289 09:54:16 -1221.514486 0.044068 BFGS: 9290 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-1221.174558 0.004549 BFGS: 9647 09:54:20 -1221.206262 0.039921 BFGS: 9648 09:54:20 -1221.177737 0.039537 BFGS: 9649 09:54:20 -1219.752070 0.023555 BFGS: 9650 09:54:20 -1220.284034 0.016464 BFGS: 9651 09:54:20 -1221.520154 0.044144 BFGS: 9652 09:54:20 -1220.619559 0.011977 BFGS: 9653 09:54:20 -1220.811670 0.009407 BFGS: 9654 09:54:20 -1221.515365 0.044080 BFGS: 9655 09:54:20 -1220.935401 0.007752 BFGS: 9656 09:54:20 -1221.022121 0.006591 BFGS: 9657 09:54:20 -1221.514479 0.044068 BFGS: 9658 09:54:20 -1221.086174 0.005733 BFGS: 9659 09:54:20 -1221.135406 0.038968 BFGS: 9660 09:54:20 -1221.092498 0.005649 BFGS: 9661 09:54:20 -1221.097938 0.005575 BFGS: 9662 09:54:20 -1221.513612 0.044057 BFGS: 9663 09:54:20 -1221.144633 0.004950 BFGS: 9664 09:54:20 -1221.181831 0.039592 BFGS: 9665 09:54:20 -1221.148774 0.004894 BFGS: 9666 09:54:20 -1221.152419 0.004845 BFGS: 9667 09:54:20 -1221.513866 0.044060 BFGS: 9668 09:54:20 -1221.188161 0.039677 BFGS: 9669 09:54:20 -1219.761768 0.023427 BFGS: 9670 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0.044056 BFGS: 9718 09:54:21 -1221.184166 0.039624 BFGS: 9719 09:54:21 -1219.757730 0.023482 BFGS: 9720 09:54:21 -1220.288180 0.016408 BFGS: 9721 09:54:21 -1221.520192 0.044146 BFGS: 9722 09:54:21 -1220.621767 0.011947 BFGS: 9723 09:54:21 -1220.813042 0.009389 BFGS: 9724 09:54:21 -1221.515374 0.044080 BFGS: 9725 09:54:21 -1220.936332 0.007739 BFGS: 9726 09:54:21 -1221.022796 0.006582 BFGS: 9727 09:54:21 -1221.514547 0.044069 BFGS: 9728 09:54:21 -1221.086692 0.005726 BFGS: 9729 09:54:21 -1221.135892 0.005067 BFGS: 9730 09:54:21 -1221.514114 0.044063 BFGS: 9731 09:54:21 -1221.174902 0.004544 BFGS: 9732 09:54:21 -1221.206544 0.039924 BFGS: 9733 09:54:21 -1221.178070 0.039542 BFGS: 9734 09:54:21 -1219.752165 0.023554 BFGS: 9735 09:54:21 -1220.284160 0.016462 BFGS: 9736 09:54:21 -1221.520161 0.044145 BFGS: 9737 09:54:21 -1220.619628 0.011976 BFGS: 9738 09:54:21 -1220.811715 0.009407 BFGS: 9739 09:54:21 -1221.515354 0.044080 BFGS: 9740 09:54:21 -1220.935429 0.007751 BFGS: 9741 09:54:21 -1221.022141 0.006591 BFGS: 9742 09:54:21 -1221.514511 0.044068 BFGS: 9743 09:54:21 -1221.086194 0.005733 BFGS: 9744 09:54:21 -1221.135495 0.005072 BFGS: 9745 09:54:21 -1221.513983 0.044061 BFGS: 9746 09:54:21 -1221.174569 0.004549 BFGS: 9747 09:54:21 -1221.206262 0.039921 BFGS: 9748 09:54:21 -1221.177747 0.039537 BFGS: 9749 09:54:21 -1219.752114 0.023554 BFGS: 9750 09:54:21 -1220.284057 0.016463 BFGS: 9751 09:54:21 -1221.520161 0.044144 BFGS: 9752 09:54:21 -1220.619572 0.011977 BFGS: 9753 09:54:21 -1220.811679 0.009407 BFGS: 9754 09:54:21 -1221.515367 0.044080 BFGS: 9755 09:54:21 -1220.935406 0.007752 BFGS: 9756 09:54:21 -1221.022126 0.006591 BFGS: 9757 09:54:21 -1221.514559 0.044069 BFGS: 9758 09:54:21 -1221.086188 0.005733 BFGS: 9759 09:54:21 -1221.135424 0.038969 BFGS: 9760 09:54:21 -1221.092511 0.005648 BFGS: 9761 09:54:21 -1221.097953 0.005575 BFGS: 9762 09:54:21 -1221.514347 0.044068 BFGS: 9763 09:54:21 -1221.144716 0.004949 BFGS: 9764 09:54:21 -1221.181966 0.039594 BFGS: 9765 09:54:21 -1221.148861 0.004893 BFGS: 9766 09:54:21 -1221.152512 0.004844 BFGS: 9767 09:54:21 -1221.514922 0.044076 BFGS: 9768 09:54:21 -1221.188330 0.039680 BFGS: 9769 09:54:21 -1219.761067 0.023439 BFGS: 9770 09:54:21 -1220.290716 0.016375 BFGS: 9771 09:54:21 -1221.520207 0.044147 BFGS: 9772 09:54:21 -1220.623118 0.011929 BFGS: 9773 09:54:22 -1220.813881 0.009378 BFGS: 9774 09:54:22 -1221.515351 0.044079 BFGS: 9775 09:54:22 -1220.936901 0.007732 BFGS: 9776 09:54:22 -1221.023206 0.006576 BFGS: 9777 09:54:22 -1221.514548 0.044068 BFGS: 9778 09:54:22 -1221.087004 0.005722 BFGS: 9779 09:54:22 -1221.136134 0.005064 BFGS: 9780 09:54:22 -1221.514047 0.044062 BFGS: 9781 09:54:22 -1221.175090 0.004542 BFGS: 9782 09:54:22 -1221.206696 0.039926 BFGS: 9783 09:54:22 -1221.178251 0.039544 BFGS: 9784 09:54:22 -1219.752569 0.023548 BFGS: 9785 09:54:22 -1220.284387 0.016459 BFGS: 9786 09:54:22 -1221.520173 0.044145 BFGS: 9787 09:54:22 -1220.619750 0.011975 BFGS: 9788 09:54:22 -1220.811791 0.009406 BFGS: 9789 09:54:22 -1221.515333 0.044079 BFGS: 9790 09:54:22 -1220.935406 0.036283 BFGS: 9791 09:54:22 -1219.510293 0.026897 BFGS: 9792 09:54:22 -1220.115919 0.018693 BFGS: 9793 09:54:22 -1221.509245 0.043950 BFGS: 9794 09:54:22 -1220.531285 0.013158 BFGS: 9795 09:54:22 -1220.756289 0.010151 BFGS: 9796 09:54:22 -1221.515583 0.044079 BFGS: 9797 09:54:22 -1220.898324 0.008249 BFGS: 9798 09:54:22 -1220.995585 0.006946 BFGS: 9799 09:54:22 -1221.514518 0.044069 BFGS: 9800 09:54:22 -1221.066237 0.006000 BFGS: 9801 09:54:22 -1221.119956 0.005281 BFGS: 9802 09:54:22 -1221.514167 0.044065 BFGS: 9803 09:54:22 -1221.162140 0.004715 BFGS: 9804 09:54:22 -1221.196100 0.039784 BFGS: 9805 09:54:22 -1221.165748 0.004667 BFGS: 9806 09:54:22 -1221.168941 0.004624 BFGS: 9807 09:54:22 -1221.513365 0.044051 BFGS: 9808 09:54:22 -1221.201591 0.039858 BFGS: 9809 09:54:22 -1219.775938 0.023235 BFGS: 9810 09:54:22 -1220.300692 0.016240 BFGS: 9811 09:54:22 -1221.520005 0.044140 BFGS: 9812 09:54:22 -1220.628399 0.011859 BFGS: 9813 09:54:22 -1220.817121 0.009335 BFGS: 9814 09:54:22 -1221.515328 0.044079 BFGS: 9815 09:54:22 -1220.939102 0.007702 BFGS: 9816 09:54:22 -1221.024797 0.006555 BFGS: 9817 09:54:22 -1221.514538 0.044068 BFGS: 9818 09:54:22 -1221.088208 0.005706 BFGS: 9819 09:54:22 -1221.137078 0.005051 BFGS: 9820 09:54:22 -1221.514097 0.044063 BFGS: 9821 09:54:22 -1221.175781 0.039511 BFGS: 9822 09:54:22 -1219.749564 0.023591 BFGS: 9823 09:54:22 -1220.282424 0.016486 BFGS: 9824 09:54:22 -1221.520230 0.044146 BFGS: 9825 09:54:22 -1220.618719 0.011988 BFGS: 9826 09:54:22 -1220.811163 0.009414 BFGS: 9827 09:54:22 -1221.515366 0.044080 BFGS: 9828 09:54:22 -1220.935056 0.007756 BFGS: 9829 09:54:22 -1221.021873 0.006594 BFGS: 9830 09:54:22 -1221.514545 0.044069 BFGS: 9831 09:54:22 -1221.085994 0.005736 BFGS: 9832 09:54:22 -1221.135344 0.005074 BFGS: 9833 09:54:22 -1221.514090 0.044063 BFGS: 9834 09:54:22 -1221.174457 0.004550 BFGS: 9835 09:54:22 -1221.206177 0.039920 BFGS: 9836 09:54:22 -1221.177639 0.039536 BFGS: 9837 09:54:22 -1219.751678 0.023561 BFGS: 9838 09:54:22 -1220.283835 0.016466 BFGS: 9839 09:54:22 -1221.520177 0.044145 BFGS: 9840 09:54:22 -1220.619457 0.011978 BFGS: 9841 09:54:22 -1220.811612 0.009408 BFGS: 9842 09:54:22 -1221.515355 0.044080 BFGS: 9843 09:54:22 -1220.935359 0.007752 BFGS: 9844 09:54:22 -1221.022091 0.006591 BFGS: 9845 09:54:22 -1221.514531 0.044069 BFGS: 9846 09:54:22 -1221.086158 0.005734 BFGS: 9847 09:54:22 -1221.135471 0.005073 BFGS: 9848 09:54:22 -1221.514095 0.044063 BFGS: 9849 09:54:22 -1221.174559 0.004549 BFGS: 9850 09:54:22 -1221.206262 0.039921 BFGS: 9851 09:54:22 -1221.177737 0.039537 BFGS: 9852 09:54:22 -1219.752186 0.023553 BFGS: 9853 09:54:22 -1220.284086 0.016463 BFGS: 9854 09:54:22 -1221.520137 0.044144 BFGS: 9855 09:54:22 -1220.619581 0.011977 BFGS: 9856 09:54:22 -1220.811679 0.009407 BFGS: 9857 09:54:22 -1221.515365 0.044080 BFGS: 9858 09:54:22 -1220.935406 0.007752 BFGS: 9859 09:54:22 -1221.022125 0.006591 BFGS: 9860 09:54:22 -1221.514519 0.044068 BFGS: 9861 09:54:22 -1221.086182 0.005733 BFGS: 9862 09:54:22 -1221.135488 0.005072 BFGS: 9863 09:54:22 -1221.514035 0.044062 BFGS: 9864 09:54:22 -1221.174567 0.004549 BFGS: 9865 09:54:22 -1221.206264 0.039921 BFGS: 9866 09:54:22 -1221.177745 0.039537 BFGS: 9867 09:54:22 -1219.751769 0.023560 BFGS: 9868 09:54:23 -1220.283903 0.016466 BFGS: 9869 09:54:23 -1221.520193 0.044145 BFGS: 9870 09:54:23 -1220.619496 0.011978 BFGS: 9871 09:54:23 -1220.811637 0.009408 BFGS: 9872 09:54:23 -1221.515370 0.044080 BFGS: 9873 09:54:23 -1220.935378 0.007752 BFGS: 9874 09:54:23 -1221.022106 0.006591 BFGS: 9875 09:54:23 -1221.514552 0.044069 BFGS: 9876 09:54:23 -1221.086171 0.005733 BFGS: 9877 09:54:23 -1221.135483 0.005072 BFGS: 9878 09:54:23 -1221.514076 0.044063 BFGS: 9879 09:54:23 -1221.174567 0.004549 BFGS: 9880 09:54:23 -1221.206267 0.039921 BFGS: 9881 09:54:23 -1221.177745 0.039537 BFGS: 9882 09:54:23 -1219.751796 0.023559 BFGS: 9883 09:54:23 -1220.283916 0.016465 BFGS: 9884 09:54:23 -1221.520187 0.044145 BFGS: 9885 09:54:23 -1220.619503 0.011978 BFGS: 9886 09:54:23 -1220.811640 0.009408 BFGS: 9887 09:54:23 -1221.515329 0.044079 BFGS: 9888 09:54:23 -1220.935374 0.007752 BFGS: 9889 09:54:23 -1221.022098 0.006591 BFGS: 9890 09:54:23 -1221.514514 0.044068 BFGS: 9891 09:54:23 -1221.086160 0.005733 BFGS: 9892 09:54:23 -1221.135472 0.005073 BFGS: 9893 09:54:23 -1221.514143 0.044063 BFGS: 9894 09:54:23 -1221.174563 0.004549 BFGS: 9895 09:54:23 -1221.206270 0.039921 BFGS: 9896 09:54:23 -1221.177742 0.039537 BFGS: 9897 09:54:23 -1219.751728 0.023560 BFGS: 9898 09:54:23 -1220.283810 0.027545 BFGS: 9899 09:54:23 -1219.997008 0.020292 BFGS: 9900 09:54:23 -1220.118686 0.018670 BFGS: 9901 09:54:23 -1221.520214 0.044145 BFGS: 9902 09:54:23 -1220.534922 0.013109 BFGS: 9903 09:54:23 -1220.760393 0.010094 BFGS: 9904 09:54:23 -1221.515622 0.044083 BFGS: 9905 09:54:23 -1220.901049 0.008211 BFGS: 9906 09:54:23 -1220.997530 0.006920 BFGS: 9907 09:54:23 -1221.514579 0.044069 BFGS: 9908 09:54:23 -1221.067695 0.005981 BFGS: 9909 09:54:23 -1221.121091 0.005265 BFGS: 9910 09:54:23 -1221.514156 0.044064 BFGS: 9911 09:54:23 -1221.163047 0.004703 BFGS: 9912 09:54:23 -1221.196838 0.039794 BFGS: 9913 09:54:23 -1221.166625 0.004655 BFGS: 9914 09:54:23 -1221.169797 0.004613 BFGS: 9915 09:54:23 -1221.514266 0.044068 BFGS: 9916 09:54:23 -1221.202369 0.039868 BFGS: 9917 09:54:23 -1219.774575 0.023261 BFGS: 9918 09:54:23 -1220.300273 0.016248 BFGS: 9919 09:54:23 -1221.520152 0.044147 BFGS: 9920 09:54:23 -1220.628202 0.011861 BFGS: 9921 09:54:23 -1220.817023 0.009336 BFGS: 9922 09:54:23 -1221.515323 0.044079 BFGS: 9923 09:54:23 -1220.939035 0.007703 BFGS: 9924 09:54:23 -1221.024747 0.006556 BFGS: 9925 09:54:23 -1221.514495 0.044068 BFGS: 9926 09:54:23 -1221.088166 0.005707 BFGS: 9927 09:54:23 -1221.137041 0.005052 BFGS: 9928 09:54:23 -1221.514064 0.044063 BFGS: 9929 09:54:23 -1221.175748 0.039511 BFGS: 9930 09:54:23 -1219.749513 0.023592 BFGS: 9931 09:54:23 -1220.282393 0.016486 BFGS: 9932 09:54:23 -1221.520211 0.044146 BFGS: 9933 09:54:23 -1220.618699 0.011989 BFGS: 9934 09:54:23 -1220.811147 0.009414 BFGS: 9935 09:54:23 -1221.515374 0.044080 BFGS: 9936 09:54:23 -1220.935046 0.007756 BFGS: 9937 09:54:23 -1221.021866 0.006594 BFGS: 9938 09:54:23 -1221.514543 0.044069 BFGS: 9939 09:54:23 -1221.085989 0.005736 BFGS: 9940 09:54:23 -1221.135341 0.005074 BFGS: 9941 09:54:23 -1221.514142 0.044063 BFGS: 9942 09:54:23 -1221.174459 0.004550 BFGS: 9943 09:54:23 -1221.206183 0.039920 BFGS: 9944 09:54:23 -1221.177641 0.039536 BFGS: 9945 09:54:23 -1219.751377 0.023566 BFGS: 9946 09:54:23 -1220.283703 0.016468 BFGS: 9947 09:54:23 -1221.520227 0.044146 BFGS: 9948 09:54:23 -1220.619397 0.011979 BFGS: 9949 09:54:23 -1220.811582 0.009409 BFGS: 9950 09:54:23 -1221.515372 0.044080 BFGS: 9951 09:54:23 -1220.935342 0.007752 BFGS: 9952 09:54:23 -1221.022079 0.006591 BFGS: 9953 09:54:23 -1221.514504 0.044068 BFGS: 9954 09:54:23 -1221.086146 0.005734 BFGS: 9955 09:54:23 -1221.135460 0.005073 BFGS: 9956 09:54:23 -1221.514094 0.044063 BFGS: 9957 09:54:23 -1221.174552 0.004549 BFGS: 9958 09:54:23 -1221.206256 0.039920 BFGS: 9959 09:54:23 -1221.177729 0.039537 BFGS: 9960 09:54:23 -1219.751762 0.023560 BFGS: 9961 09:54:23 -1220.283897 0.016466 BFGS: 9962 09:54:23 -1221.520195 0.044145 BFGS: 9963 09:54:24 -1220.619494 0.011978 BFGS: 9964 09:54:24 -1220.811636 0.009408 BFGS: 9965 09:54:24 -1221.515370 0.044080 BFGS: 9966 09:54:24 -1220.935378 0.007752 BFGS: 9967 09:54:24 -1221.022106 0.006591 BFGS: 9968 09:54:24 -1221.514523 0.044068 BFGS: 9969 09:54:24 -1221.086167 0.005733 BFGS: 9970 09:54:24 -1221.135478 0.005073 BFGS: 9971 09:54:24 -1221.514128 0.044063 BFGS: 9972 09:54:24 -1221.174568 0.004549 BFGS: 9973 09:54:24 -1221.206272 0.039921 BFGS: 9974 09:54:24 -1221.177747 0.039537 BFGS: 9975 09:54:24 -1219.751663 0.023562 BFGS: 9976 09:54:24 -1220.283856 0.016466 BFGS: 9977 09:54:24 -1221.520222 0.044146 BFGS: 9978 09:54:24 -1220.619477 0.011978 BFGS: 9979 09:54:24 -1220.811629 0.009408 BFGS: 9980 09:54:24 -1221.515359 0.044080 BFGS: 9981 09:54:24 -1220.935373 0.007752 BFGS: 9982 09:54:24 -1221.022101 0.006591 BFGS: 9983 09:54:24 -1221.514522 0.044068 BFGS: 9984 09:54:24 -1221.086164 0.005733 BFGS: 9985 09:54:24 -1221.135475 0.005073 BFGS: 9986 09:54:24 -1221.514103 0.044063 BFGS: 9987 09:54:24 -1221.174563 0.004549 BFGS: 9988 09:54:24 -1221.206265 0.039921 BFGS: 9989 09:54:24 -1221.177742 0.039537 BFGS: 9990 09:54:24 -1219.752000 0.023556 BFGS: 9991 09:54:24 -1220.284005 0.016464 BFGS: 9992 09:54:24 -1221.520163 0.044144 BFGS: 9993 09:54:24 -1220.619544 0.011977 BFGS: 9994 09:54:24 -1220.811662 0.009408 BFGS: 9995 09:54:24 -1221.515370 0.044080 BFGS: 9996 09:54:24 -1220.935396 0.007752 BFGS: 9997 09:54:24 -1221.022119 0.006591 BFGS: 9998 09:54:24 -1221.514508 0.044068 BFGS: 9999 09:54:24 -1221.086176 0.005733 BFGS: 10000 09:54:24 -1221.135483 0.005072 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 1.370460635088621e-06 eV/Angstrom Maximum stress component: 9.890511645250049e-05 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr'] basis = [[4.13300335e-01 4.13300335e-01 1.39074372e-29] [5.86699665e-01 5.86699665e-01 0.00000000e+00] [8.66996652e-02 9.13300335e-01 5.00000000e-01] [9.13300335e-01 8.66996652e-02 5.00000000e-01] [4.84682526e-01 1.30948471e-01 0.00000000e+00] [5.15317474e-01 8.69051529e-01 2.78853530e-30] [3.69051529e-01 9.84682526e-01 5.00000000e-01] [6.30948471e-01 1.53174740e-02 5.00000000e-01] [1.53174740e-02 6.30948471e-01 5.00000000e-01] [9.84682526e-01 3.69051529e-01 5.00000000e-01] [1.30948471e-01 4.84682526e-01 1.55907386e-30] [8.69051529e-01 5.15317474e-01 1.09562314e-30] [7.91973882e-01 2.02961654e-02 3.82871877e-32] [2.08026118e-01 9.79703835e-01 0.00000000e+00] [4.79703835e-01 2.91973882e-01 5.00000000e-01] [5.20296165e-01 7.08026118e-01 5.00000000e-01] [7.08026118e-01 5.20296165e-01 5.00000000e-01] [2.91973882e-01 4.79703835e-01 5.00000000e-01] [2.02961654e-02 7.91973882e-01 2.00757456e-31] [9.79703835e-01 2.08026118e-01 0.00000000e+00] [2.14766433e-01 2.14766433e-01 2.63384114e-01] [7.85233567e-01 7.85233567e-01 2.63384114e-01] [2.85233567e-01 7.14766433e-01 7.63384114e-01] [7.14766433e-01 2.85233567e-01 7.63384114e-01] [2.85233567e-01 7.14766433e-01 2.36615886e-01] [7.14766433e-01 2.85233567e-01 2.36615886e-01] [2.14766433e-01 2.14766433e-01 7.36615886e-01] [7.85233567e-01 7.85233567e-01 7.36615886e-01]] cellpar = Cell([[15.817601662439603, -5.337081735203948e-35, -9.424991167850294e-31], [-4.12190198939082e-35, 15.817601662439595, -5.815422109588769e-17], [1.162417063374364e-31, -3.086341794081169e-17, 8.65700938508837]]) forces = [[ 1.14641499e-06 1.14641499e-06 -4.21485331e-24] [-1.14641499e-06 -1.14641499e-06 4.21485331e-24] [-1.14641499e-06 1.14641499e-06 -4.21485331e-24] [ 1.14641499e-06 -1.14641499e-06 4.21485331e-24] [ 1.15929585e-07 6.23448581e-07 -2.29214058e-24] [-1.15929585e-07 -6.23448581e-07 2.29214058e-24] [-6.23448581e-07 1.15929585e-07 -4.26221046e-25] [ 6.23448581e-07 -1.15929585e-07 4.26221046e-25] [-1.15929585e-07 6.23448581e-07 -2.29214058e-24] [ 1.15929585e-07 -6.23448581e-07 2.29214058e-24] [ 6.23448581e-07 1.15929585e-07 -4.26221046e-25] [-6.23448581e-07 -1.15929585e-07 4.26221046e-25] [-1.37046064e-06 1.15479095e-06 -4.24564795e-24] [ 1.37046064e-06 -1.15479095e-06 4.24564795e-24] [-1.15479095e-06 -1.37046064e-06 5.03856858e-24] [ 1.15479095e-06 1.37046064e-06 -5.03856858e-24] [ 1.37046064e-06 1.15479095e-06 -4.24564795e-24] [-1.37046064e-06 -1.15479095e-06 4.24564795e-24] [ 1.15479095e-06 -1.37046064e-06 5.03856858e-24] [-1.15479095e-06 1.37046064e-06 -5.03856858e-24] [ 1.11556816e-07 1.11556816e-07 2.68877564e-07] [-1.11556816e-07 -1.11556816e-07 2.68877564e-07] [-1.11556816e-07 1.11556816e-07 2.68877564e-07] [ 1.11556816e-07 -1.11556816e-07 2.68877564e-07] [-1.11556816e-07 1.11556816e-07 -2.68877564e-07] [ 1.11556816e-07 -1.11556816e-07 -2.68877564e-07] [ 1.11556816e-07 1.11556816e-07 -2.68877564e-07] [-1.11556816e-07 -1.11556816e-07 -2.68877564e-07]] stress = [ 9.89051165e-05 9.89051165e-05 9.88406087e-05 -5.86528001e-21 -9.30502265e-37 1.22872646e-52] energy per atom = -43.6119815200907 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0