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: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== 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 09:51:51 -460.527374 1.778842 BFGS: 1 09:51:52 -463.203144 0.919564 BFGS: 2 09:51:52 -465.729983 0.662850 BFGS: 3 09:51:52 -467.761371 0.586498 BFGS: 4 09:51:52 -469.963754 0.743089 BFGS: 5 09:51:52 -472.102233 0.515065 BFGS: 6 09:51:52 -474.253908 0.816090 BFGS: 7 09:51:52 -476.819161 0.744521 BFGS: 8 09:51:52 -479.372520 0.823405 BFGS: 9 09:51:52 -482.256875 0.748232 BFGS: 10 09:51:52 -485.407405 0.771617 BFGS: 11 09:51:52 -488.862347 1.144908 BFGS: 12 09:51:52 -492.918003 1.572767 BFGS: 13 09:51:52 -498.206821 2.046617 BFGS: 14 09:51:52 -506.224028 2.670011 BFGS: 15 09:51:52 -517.522340 4.146762 BFGS: 16 09:51:52 -533.002194 6.315573 BFGS: 17 09:51:52 -553.401459 8.997806 BFGS: 18 09:51:53 -579.417648 11.275759 BFGS: 19 09:51:53 -612.351480 12.131607 BFGS: 20 09:51:53 -651.396404 15.165298 BFGS: 21 09:51:53 -677.597156 20.213358 BFGS: 22 09:51:53 -730.720853 18.505670 BFGS: 23 09:51:53 -779.873616 17.630203 BFGS: 24 09:51:53 -827.354283 16.903648 BFGS: 25 09:51:53 -857.012503 18.286214 BFGS: 26 09:51:53 -880.794030 18.539535 BFGS: 27 09:51:53 -902.314156 18.377211 BFGS: 28 09:51:53 -921.489224 18.029690 BFGS: 29 09:51:53 -934.353690 17.759852 BFGS: 30 09:51:53 -943.030445 19.418716 BFGS: 31 09:51:53 -950.319947 23.704636 BFGS: 32 09:51:53 -956.784292 27.175529 BFGS: 33 09:51:53 -962.896789 35.876943 BFGS: 34 09:51:53 -968.940990 36.703573 BFGS: 35 09:51:53 -975.101690 41.424871 BFGS: 36 09:51:53 -980.499343 46.119680 BFGS: 37 09:51:53 -985.769884 49.548711 BFGS: 38 09:51:53 -992.673104 52.274644 BFGS: 39 09:51:53 -999.873523 53.976807 BFGS: 40 09:51:53 -1009.941475 53.145729 BFGS: 41 09:51:54 -1037.388220 44.562562 BFGS: 42 09:51:54 -1063.798108 45.503296 BFGS: 43 09:51:54 -1086.797099 47.558118 BFGS: 44 09:51:54 -1109.480330 48.475025 BFGS: 45 09:51:54 -1131.732621 47.824907 BFGS: 46 09:51:54 -1158.341614 45.764757 BFGS: 47 09:51:54 -1183.842786 41.674705 BFGS: 48 09:51:54 -1205.917619 37.163176 BFGS: 49 09:51:54 -1225.223260 33.763477 BFGS: 50 09:51:54 -1241.130813 28.933307 BFGS: 51 09:51:54 -1256.010558 26.877360 BFGS: 52 09:51:54 -1267.995787 23.253191 BFGS: 53 09:51:54 -1279.229676 21.088938 BFGS: 54 09:51:55 -1288.986558 18.565553 BFGS: 55 09:51:55 -1298.694655 19.083480 BFGS: 56 09:51:55 -1307.636119 20.588345 BFGS: 57 09:51:55 -1316.490516 21.604643 BFGS: 58 09:51:55 -1325.033110 22.704611 BFGS: 59 09:51:55 -1333.412109 23.736235 BFGS: 60 09:51:55 -1341.597874 24.693024 BFGS: 61 09:51:55 -1349.473291 25.614145 BFGS: 62 09:51:55 -1357.303836 26.412406 BFGS: 63 09:51:55 -1365.497553 27.247856 BFGS: 64 09:51:55 -1375.575276 26.338729 BFGS: 65 09:51:55 -1384.452760 25.964811 BFGS: 66 09:51:55 -1392.482558 25.081276 BFGS: 67 09:51:55 -1399.698450 24.948913 BFGS: 68 09:51:56 -1405.911516 24.551796 BFGS: 69 09:51:56 -1411.547583 30.275229 BFGS: 70 09:51:56 -1416.990923 36.185009 BFGS: 71 09:51:56 -1422.372569 41.071158 BFGS: 72 09:51:56 -1427.327667 46.003037 BFGS: 73 09:51:56 -1432.683998 47.394459 BFGS: 74 09:51:56 -1437.747066 48.056097 BFGS: 75 09:51:56 -1442.879102 47.675781 BFGS: 76 09:51:56 -1448.043047 46.818271 BFGS: 77 09:51:56 -1453.465697 45.467742 BFGS: 78 09:51:56 -1459.363260 43.700707 BFGS: 79 09:51:56 -1465.925414 41.407965 BFGS: 80 09:51:56 -1472.957749 39.335010 BFGS: 81 09:51:56 -1480.038102 37.668025 BFGS: 82 09:51:56 -1486.710955 36.508012 BFGS: 83 09:51:56 -1492.890307 35.496705 BFGS: 84 09:51:56 -1498.723779 34.428365 BFGS: 85 09:51:57 -1504.698362 33.009240 BFGS: 86 09:51:57 -1510.453679 30.891275 BFGS: 87 09:51:57 -1515.699186 27.947707 BFGS: 88 09:51:57 -1520.584094 24.393952 BFGS: 89 09:51:57 -1524.863199 20.668617 BFGS: 90 09:51:57 -1528.698353 16.527733 BFGS: 91 09:51:57 -1531.831225 12.982967 BFGS: 92 09:51:57 -1534.431638 11.770454 BFGS: 93 09:51:57 -1536.450145 10.644739 BFGS: 94 09:51:57 -1538.032449 8.320254 BFGS: 95 09:51:57 -1539.231809 7.377625 BFGS: 96 09:51:57 -1540.163217 8.222894 BFGS: 97 09:51:58 -1542.086970 9.968507 BFGS: 98 09:51:58 -1543.783515 10.569724 BFGS: 99 09:51:58 -1545.333013 10.228770 BFGS: 100 09:51:58 -1546.880397 9.218601 BFGS: 101 09:51:58 -1548.506720 7.750582 BFGS: 102 09:51:58 -1550.208201 7.669452 BFGS: 103 09:51:58 -1551.866464 7.772130 BFGS: 104 09:51:58 -1553.474696 7.733678 BFGS: 105 09:51:58 -1555.012930 7.516810 BFGS: 106 09:51:58 -1556.531541 7.099808 BFGS: 107 09:51:58 -1557.978642 6.397951 BFGS: 108 09:51:58 -1559.363536 5.460797 BFGS: 109 09:51:58 -1560.657155 4.284326 BFGS: 110 09:51:59 -1561.820242 4.035707 BFGS: 111 09:51:59 -1562.858117 4.519470 BFGS: 112 09:51:59 -1563.791850 4.753548 BFGS: 113 09:51:59 -1564.591248 4.694440 BFGS: 114 09:51:59 -1565.316632 4.194888 BFGS: 115 09:51:59 -1565.922266 3.948285 BFGS: 116 09:51:59 -1566.499570 3.462194 BFGS: 117 09:51:59 -1567.017957 3.173671 BFGS: 118 09:51:59 -1567.516666 3.558459 BFGS: 119 09:51:59 -1567.992433 3.894167 BFGS: 120 09:51:59 -1568.444486 4.188444 BFGS: 121 09:51:59 -1568.819841 4.467048 BFGS: 122 09:52:00 -1569.149643 4.726857 BFGS: 123 09:52:00 -1569.490786 3.473628 BFGS: 124 09:52:00 -1569.973818 4.659161 BFGS: 125 09:52:00 -1571.155298 23.423034 BFGS: 126 09:52:00 -1572.430581 24.735946 BFGS: 127 09:52:00 -1575.683541 41.175997 BFGS: 128 09:52:00 -1578.403177 46.211276 BFGS: 129 09:52:00 -1587.101214 51.707923 BFGS: 130 09:52:00 -1599.792554 65.986047 BFGS: 131 09:52:00 -1609.723707 55.363604 BFGS: 132 09:52:00 -1619.601628 24.869360 BFGS: 133 09:52:00 -1623.770217 20.811889 BFGS: 134 09:52:00 -1629.823091 13.957990 BFGS: 135 09:52:00 -1635.200902 14.514547 BFGS: 136 09:52:00 -1637.335271 9.734681 BFGS: 137 09:52:01 -1639.154180 7.068148 BFGS: 138 09:52:01 -1639.273685 6.704512 BFGS: 139 09:52:01 -1639.513090 6.797801 BFGS: 140 09:52:01 -1639.828075 7.343465 BFGS: 141 09:52:01 -1640.104013 7.598405 BFGS: 142 09:52:01 -1640.328375 7.567263 BFGS: 143 09:52:01 -1640.448571 7.268046 BFGS: 144 09:52:01 -1640.414229 6.852986 BFGS: 145 09:52:01 -1640.385188 6.544405 BFGS: 146 09:52:01 -1640.585460 6.337974 BFGS: 147 09:52:01 -1641.260211 6.993375 BFGS: 148 09:52:01 -1642.322661 9.543051 BFGS: 149 09:52:01 -1643.722742 14.354644 BFGS: 150 09:52:01 -1645.816411 17.430781 BFGS: 151 09:52:01 -1646.776755 6.222430 BFGS: 152 09:52:02 -1648.029367 9.041049 BFGS: 153 09:52:02 -1649.318872 9.474319 BFGS: 154 09:52:02 -1650.700135 5.950461 BFGS: 155 09:52:02 -1651.235459 6.089289 BFGS: 156 09:52:02 -1651.663777 4.466512 BFGS: 157 09:52:02 -1651.752977 3.414505 BFGS: 158 09:52:02 -1651.801986 3.738851 BFGS: 159 09:52:02 -1651.773439 4.154274 BFGS: 160 09:52:02 -1651.815871 4.272157 BFGS: 161 09:52:02 -1651.700638 3.984704 BFGS: 162 09:52:02 -1651.691074 4.880895 BFGS: 163 09:52:02 -1651.576787 2.242253 BFGS: 164 09:52:02 -1651.437983 2.606112 BFGS: 165 09:52:02 -1651.425458 2.279038 BFGS: 166 09:52:02 -1651.270952 2.353365 BFGS: 167 09:52:02 -1651.132884 2.170813 BFGS: 168 09:52:03 -1650.940535 2.431122 BFGS: 169 09:52:03 -1650.703107 3.020639 BFGS: 170 09:52:03 -1650.428978 2.600796 BFGS: 171 09:52:03 -1650.178412 3.719339 BFGS: 172 09:52:03 -1649.912750 2.862236 BFGS: 173 09:52:03 -1649.677631 3.353367 BFGS: 174 09:52:03 -1649.343153 2.848573 BFGS: 175 09:52:03 -1649.015361 2.944515 BFGS: 176 09:52:03 -1648.673394 2.857001 BFGS: 177 09:52:03 -1648.313640 2.701558 BFGS: 178 09:52:03 -1647.953518 2.364295 BFGS: 179 09:52:03 -1647.584715 2.305540 BFGS: 180 09:52:03 -1647.232404 2.072438 BFGS: 181 09:52:03 -1646.878137 1.809602 BFGS: 182 09:52:03 -1646.555007 1.609457 BFGS: 183 09:52:03 -1646.239060 2.665043 BFGS: 184 09:52:04 -1645.984658 3.297019 BFGS: 185 09:52:04 -1645.635390 2.140355 BFGS: 186 09:52:04 -1645.281301 2.623431 BFGS: 187 09:52:04 -1644.890155 1.602948 BFGS: 188 09:52:04 -1644.460889 1.566067 BFGS: 189 09:52:04 -1644.019756 1.425598 BFGS: 190 09:52:04 -1643.568706 1.264765 BFGS: 191 09:52:04 -1643.112750 1.288695 BFGS: 192 09:52:04 -1642.655459 1.525358 BFGS: 193 09:52:04 -1642.209293 1.922387 BFGS: 194 09:52:04 -1641.787316 2.452445 BFGS: 195 09:52:04 -1641.362579 2.974715 BFGS: 196 09:52:04 -1640.923974 3.417521 BFGS: 197 09:52:04 -1640.497812 3.868473 BFGS: 198 09:52:04 -1640.165621 4.386635 BFGS: 199 09:52:04 -1640.693169 4.749489 BFGS: 200 09:52:05 -1641.337441 4.488382 BFGS: 201 09:52:05 -1642.691528 4.254179 BFGS: 202 09:52:05 -1643.931850 4.893393 BFGS: 203 09:52:05 -1645.813679 6.408982 BFGS: 204 09:52:05 -1648.284037 7.529428 BFGS: 205 09:52:05 -1651.735788 9.129117 BFGS: 206 09:52:05 -1656.088723 10.931527 BFGS: 207 09:52:05 -1662.010136 13.150577 BFGS: 208 09:52:05 -1669.207331 15.829166 BFGS: 209 09:52:05 -1675.561752 17.592265 BFGS: 210 09:52:05 -1682.081548 28.279209 BFGS: 211 09:52:05 -1685.451223 36.017865 BFGS: 212 09:52:05 -1688.634230 30.487745 BFGS: 213 09:52:05 -1690.252603 29.261479 BFGS: 214 09:52:05 -1691.618222 27.651499 BFGS: 215 09:52:05 -1692.898715 25.790290 BFGS: 216 09:52:05 -1694.181127 23.680926 BFGS: 217 09:52:06 -1695.495404 21.458925 BFGS: 218 09:52:06 -1696.886522 19.642483 BFGS: 219 09:52:06 -1698.369234 19.198379 BFGS: 220 09:52:06 -1699.989568 18.713210 BFGS: 221 09:52:06 -1701.738364 18.479131 BFGS: 222 09:52:06 -1703.692106 18.050056 BFGS: 223 09:52:06 -1705.721480 17.326342 BFGS: 224 09:52:06 -1708.128693 16.353526 BFGS: 225 09:52:06 -1710.023807 14.965987 BFGS: 226 09:52:06 -1713.498890 13.298617 BFGS: 227 09:52:06 -1714.485524 18.200272 BFGS: 228 09:52:06 -1716.883654 24.918392 BFGS: 229 09:52:06 -1719.326392 28.138749 BFGS: 230 09:52:06 -1721.912150 30.572915 BFGS: 231 09:52:06 -1724.724532 32.852450 BFGS: 232 09:52:06 -1727.508831 35.378109 BFGS: 233 09:52:07 -1729.946426 37.832476 BFGS: 234 09:52:07 -1732.109342 37.927211 BFGS: 235 09:52:07 -1734.202776 33.864246 BFGS: 236 09:52:07 -1736.026598 29.233328 BFGS: 237 09:52:07 -1737.853533 25.495398 BFGS: 238 09:52:07 -1739.484789 22.114357 BFGS: 239 09:52:07 -1741.148802 19.510611 BFGS: 240 09:52:07 -1742.724235 17.371665 BFGS: 241 09:52:07 -1744.303231 15.693437 BFGS: 242 09:52:07 -1745.869827 14.390902 BFGS: 243 09:52:07 -1747.457051 13.647056 BFGS: 244 09:52:07 -1749.042137 13.553238 BFGS: 245 09:52:07 -1750.658334 13.425285 BFGS: 246 09:52:07 -1752.267095 13.297727 BFGS: 247 09:52:07 -1753.887988 13.139425 BFGS: 248 09:52:07 -1755.561284 12.915595 BFGS: 249 09:52:08 -1758.041883 13.245863 BFGS: 250 09:52:08 -1760.386309 13.764897 BFGS: 251 09:52:08 -1765.017806 14.502233 BFGS: 252 09:52:08 -1768.696428 18.007727 BFGS: 253 09:52:08 -1774.591878 26.558658 BFGS: 254 09:52:08 -1777.952781 27.237094 BFGS: 255 09:52:08 -1781.753312 25.829843 BFGS: 256 09:52:08 -1785.665133 21.717394 BFGS: 257 09:52:08 -1789.127283 25.200955 BFGS: 258 09:52:08 -1791.728677 26.072098 BFGS: 259 09:52:08 -1793.063123 27.666378 BFGS: 260 09:52:08 -1801.374948 49.024819 BFGS: 261 09:52:08 -1831.681364 75.499843 BFGS: 262 09:52:08 -1849.210831 25.854657 BFGS: 263 09:52:08 -1863.653565 22.822417 BFGS: 264 09:52:09 -1868.430912 21.923806 BFGS: 265 09:52:09 -1871.887182 22.684705 BFGS: 266 09:52:09 -1875.129495 22.914234 BFGS: 267 09:52:09 -1878.240340 23.193594 BFGS: 268 09:52:09 -1881.720673 23.337734 BFGS: 269 09:52:09 -1884.838724 23.192678 BFGS: 270 09:52:09 -1887.682853 23.180037 BFGS: 271 09:52:09 -1890.441406 22.736035 BFGS: 272 09:52:09 -1893.117826 22.400389 BFGS: 273 09:52:09 -1895.754071 21.767409 BFGS: 274 09:52:09 -1898.330297 21.206080 BFGS: 275 09:52:09 -1900.871350 20.442755 BFGS: 276 09:52:09 -1903.827788 22.870123 BFGS: 277 09:52:09 -1909.970777 31.030025 BFGS: 278 09:52:09 -1915.052250 34.809761 BFGS: 279 09:52:09 -1922.003708 32.149086 BFGS: 280 09:52:10 -1931.429768 22.507976 BFGS: 281 09:52:10 -1941.615020 21.177780 BFGS: 282 09:52:10 -1951.413416 23.985934 BFGS: 283 09:52:10 -1960.777084 27.558523 BFGS: 284 09:52:10 -1968.783897 28.757045 BFGS: 285 09:52:10 -1975.056286 31.924872 BFGS: 286 09:52:10 -1981.832060 28.587508 BFGS: 287 09:52:10 -1987.123040 28.313069 BFGS: 288 09:52:10 -1991.672352 27.297414 BFGS: 289 09:52:10 -1995.458681 26.140982 BFGS: 290 09:52:10 -1998.609001 24.878253 BFGS: 291 09:52:10 -2001.265801 23.551131 BFGS: 292 09:52:10 -2003.542078 22.189993 BFGS: 293 09:52:10 -2005.527073 20.814203 BFGS: 294 09:52:10 -2007.284906 19.447828 BFGS: 295 09:52:11 -2008.864806 18.111602 BFGS: 296 09:52:11 -2010.303856 16.834161 BFGS: 297 09:52:11 -2011.633231 15.751181 BFGS: 298 09:52:11 -2012.878333 15.691425 BFGS: 299 09:52:11 -2014.062753 15.624374 BFGS: 300 09:52:11 -2015.206016 15.551650 BFGS: 301 09:52:11 -2016.327644 15.473230 BFGS: 302 09:52:11 -2017.407476 15.394410 BFGS: 303 09:52:11 -2018.462337 15.313696 BFGS: 304 09:52:11 -2019.493578 15.234341 BFGS: 305 09:52:11 -2020.534965 15.148891 BFGS: 306 09:52:11 -2021.565960 15.060243 BFGS: 307 09:52:11 -2022.633802 14.953527 BFGS: 308 09:52:11 -2023.683638 14.832098 BFGS: 309 09:52:12 -2024.795125 14.672600 BFGS: 310 09:52:12 -2025.863632 14.478749 BFGS: 311 09:52:12 -2042.891564 97.741486 BFGS: 312 09:52:12 -2083.148888 93.431484 BFGS: 313 09:52:12 -2113.374594 43.669100 BFGS: 314 09:52:12 -2127.278443 12.623632 BFGS: 315 09:52:12 -2130.077111 11.518747 BFGS: 316 09:52:12 -2131.504338 10.260229 BFGS: 317 09:52:12 -2131.853078 10.680204 BFGS: 318 09:52:12 -2132.613911 12.191558 BFGS: 319 09:52:13 -2132.832746 11.915802 BFGS: 320 09:52:13 -2133.492112 10.636066 BFGS: 321 09:52:13 -2133.617853 9.555983 BFGS: 322 09:52:13 -2133.695433 9.336658 BFGS: 323 09:52:13 -2133.586172 9.521027 BFGS: 324 09:52:13 -2133.482412 9.587548 BFGS: 325 09:52:13 -2133.298525 9.432470 BFGS: 326 09:52:13 -2133.130089 9.056905 BFGS: 327 09:52:14 -2132.901413 8.888120 BFGS: 328 09:52:14 -2132.701976 8.709553 BFGS: 329 09:52:14 -2132.491481 8.764715 BFGS: 330 09:52:14 -2132.344921 9.040799 BFGS: 331 09:52:14 -2132.149948 9.264219 BFGS: 332 09:52:14 -2131.950787 9.726971 BFGS: 333 09:52:14 -2131.727015 10.085006 BFGS: 334 09:52:14 -2131.521374 10.494098 BFGS: 335 09:52:14 -2131.305298 10.786339 BFGS: 336 09:52:14 -2131.102587 11.392280 BFGS: 337 09:52:14 -2130.872888 11.755995 BFGS: 338 09:52:14 -2130.648490 12.355785 BFGS: 339 09:52:15 -2130.410667 12.499898 BFGS: 340 09:52:15 -2130.183031 12.814044 BFGS: 341 09:52:15 -2129.944881 12.682143 BFGS: 342 09:52:15 -2129.710858 12.467602 BFGS: 343 09:52:15 -2129.471044 12.474508 BFGS: 344 09:52:15 -2129.231657 12.600988 BFGS: 345 09:52:15 -2128.992045 12.744678 BFGS: 346 09:52:15 -2128.754594 12.885139 BFGS: 347 09:52:15 -2128.518045 12.936375 BFGS: 348 09:52:15 -2128.283637 12.947344 BFGS: 349 09:52:15 -2128.051850 12.855797 BFGS: 350 09:52:15 -2127.822208 12.981523 BFGS: 351 09:52:15 -2127.595106 13.156888 BFGS: 352 09:52:16 -2127.370951 13.204437 BFGS: 353 09:52:16 -2127.149958 13.228383 BFGS: 354 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-2114.925102 8.961234 BFGS: 1033 09:52:55 -2114.902763 9.462209 BFGS: 1034 09:52:55 -2114.879686 9.399165 BFGS: 1035 09:52:55 -2114.856296 10.334029 BFGS: 1036 09:52:55 -2114.833241 9.423429 BFGS: 1037 09:52:55 -2114.809641 9.000043 BFGS: 1038 09:52:55 -2114.094733 10.284776 BFGS: 1039 09:52:55 -2114.766409 8.549630 BFGS: 1040 09:52:55 -2114.745328 6.341943 BFGS: 1041 09:52:55 -2114.722829 4.753257 BFGS: 1042 09:52:55 -2114.698259 4.469149 BFGS: 1043 09:52:55 -2114.673273 4.392509 BFGS: 1044 09:52:55 -2114.648075 4.355069 BFGS: 1045 09:52:55 -2114.622796 4.434536 BFGS: 1046 09:52:55 -2114.597528 4.371811 BFGS: 1047 09:52:55 -2114.572679 4.091211 BFGS: 1048 09:52:55 -2114.548162 3.141610 BFGS: 1049 09:52:55 -2114.523086 1.628413 BFGS: 1050 09:52:56 -2114.496287 1.474941 BFGS: 1051 09:52:56 -2114.468486 1.493707 BFGS: 1052 09:52:56 -2114.440495 1.514168 BFGS: 1053 09:52:56 -2114.412279 1.570631 BFGS: 1054 09:52:56 -2114.384384 1.528958 BFGS: 1055 09:52:56 -2114.356436 1.522694 BFGS: 1056 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BFGS: 1956 09:53:33 -2124.304610 2.030259 BFGS: 1957 09:53:33 -2124.293362 8.433708 BFGS: 1958 09:53:33 -2124.299903 2.185232 BFGS: 1959 09:53:33 -2124.297690 1.628623 BFGS: 1960 09:53:33 -2124.295432 0.915618 BFGS: 1961 09:53:33 -2124.293113 1.429399 BFGS: 1962 09:53:33 -2124.290250 1.315129 BFGS: 1963 09:53:33 -2124.288384 2.228154 BFGS: 1964 09:53:33 -2124.286001 2.530828 BFGS: 1965 09:53:33 -2124.283873 1.974527 BFGS: 1966 09:53:33 -2124.281699 0.696668 BFGS: 1967 09:53:33 -2124.279402 1.424336 BFGS: 1968 09:53:33 -2124.277102 1.568550 BFGS: 1969 09:53:33 -2124.274840 0.811131 BFGS: 1970 09:53:33 -2124.272560 1.486471 BFGS: 1971 09:53:34 -2124.270283 1.518225 BFGS: 1972 09:53:34 -2124.255440 10.990365 BFGS: 1973 09:53:34 -2124.265684 1.778399 BFGS: 1974 09:53:34 -2124.263486 1.320346 BFGS: 1975 09:53:34 -2124.261251 0.655725 BFGS: 1976 09:53:34 -2124.258960 1.304779 BFGS: 1977 09:53:34 -2124.256651 1.638385 BFGS: 1978 09:53:34 -2124.254376 1.724458 BFGS: 1979 09:53:34 -2124.251191 2.573271 BFGS: 1980 09:53:34 -2124.249882 1.609199 BFGS: 1981 09:53:34 -2124.247669 1.321168 BFGS: 1982 09:53:34 -2124.245427 0.795609 BFGS: 1983 09:53:34 -2124.243154 1.424128 BFGS: 1984 09:53:34 -2124.240897 1.483388 BFGS: 1985 09:53:34 -2124.236683 3.945618 BFGS: 1986 09:53:34 -2124.236379 1.628422 BFGS: 1987 09:53:34 -2124.234184 1.289894 BFGS: 1988 09:53:34 -2124.231964 0.732099 BFGS: 1989 09:53:34 -2124.229694 1.363175 BFGS: 1990 09:53:34 -2124.227436 1.507780 BFGS: 1991 09:53:34 -2124.225223 0.887965 BFGS: 1992 09:53:34 -2124.222981 1.392997 BFGS: 1993 09:53:34 -2124.220742 1.437664 BFGS: 1994 09:53:34 -2124.214507 5.958377 BFGS: 1995 09:53:35 -2124.216248 1.630449 BFGS: 1996 09:53:35 -2124.214074 1.254648 BFGS: 1997 09:53:35 -2124.211872 0.712644 BFGS: 1998 09:53:35 -2124.209617 1.306661 BFGS: 1999 09:53:35 -2124.207366 1.515757 BFGS: 2000 09:53:35 -2124.205205 0.917004 BFGS: 2001 09:53:35 -2124.202984 0.980152 BFGS: 2002 09:53:35 -2124.200585 1.318814 BFGS: 2003 09:53:35 -2124.198488 1.547074 BFGS: 2004 09:53:35 -2124.196304 1.339983 BFGS: 2005 09:53:35 -2124.194029 1.144443 BFGS: 2006 09:53:35 -2124.191868 1.439256 BFGS: 2007 09:53:35 -2124.189671 1.349099 BFGS: 2008 09:53:35 -2124.186606 2.481800 BFGS: 2009 09:53:35 -2124.185230 1.539452 BFGS: 2010 09:53:35 -2124.183065 1.253715 BFGS: 2011 09:53:35 -2124.180872 0.886729 BFGS: 2012 09:53:35 -2124.178650 1.355186 BFGS: 2013 09:53:35 -2124.176443 1.412403 BFGS: 2014 09:53:35 -2124.172316 4.013719 BFGS: 2015 09:53:35 -2124.172026 1.554841 BFGS: 2016 09:53:35 -2124.169878 1.223061 BFGS: 2017 09:53:35 -2124.167705 0.820298 BFGS: 2018 09:53:35 -2124.165485 1.302274 BFGS: 2019 09:53:36 -2124.163277 1.440167 BFGS: 2020 09:53:36 -2124.161101 1.014025 BFGS: 2021 09:53:36 -2124.158916 1.347870 BFGS: 2022 09:53:36 -2124.156730 1.361048 BFGS: 2023 09:53:36 -2124.075929 30.392579 BFGS: 2024 09:53:36 -2124.152310 1.662751 BFGS: 2025 09:53:36 -2124.150196 1.224067 BFGS: 2026 09:53:36 -2124.148048 0.753121 BFGS: 2027 09:53:36 -2124.145843 1.210715 BFGS: 2028 09:53:36 -2124.143631 1.485573 BFGS: 2029 09:53:36 -2124.141480 1.338530 BFGS: 2030 09:53:36 -2124.139057 1.576237 BFGS: 2031 09:53:36 -2124.137122 1.447889 BFGS: 2032 09:53:36 -2124.134980 1.256607 BFGS: 2033 09:53:36 -2124.132740 1.226810 BFGS: 2034 09:53:36 -2124.130629 1.399420 BFGS: 2035 09:53:36 -2124.128478 1.298710 BFGS: 2036 09:53:36 -2124.125688 2.112960 BFGS: 2037 09:53:36 -2124.124129 1.479503 BFGS: 2038 09:53:36 -2124.122005 1.216969 BFGS: 2039 09:53:36 -2124.119847 0.998794 BFGS: 2040 09:53:36 -2124.117677 1.329091 BFGS: 2041 09:53:36 -2124.115520 1.349716 BFGS: 2042 09:53:37 -2124.087478 16.845383 BFGS: 2043 09:53:37 -2124.111176 1.587166 BFGS: 2044 09:53:37 -2124.109085 1.166657 BFGS: 2045 09:53:37 -2124.106963 0.788821 BFGS: 2046 09:53:37 -2124.104788 1.183054 BFGS: 2047 09:53:37 -2124.102605 1.462542 BFGS: 2048 09:53:37 -2124.100479 1.344722 BFGS: 2049 09:53:37 -2124.097824 1.957837 BFGS: 2050 09:53:37 -2124.096180 1.449860 BFGS: 2051 09:53:37 -2124.094074 1.204800 BFGS: 2052 09:53:37 -2124.091926 1.067478 BFGS: 2053 09:53:37 -2124.089785 1.325601 BFGS: 2054 09:53:37 -2124.087651 1.318525 BFGS: 2055 09:53:37 -2123.905481 48.258787 BFGS: 2056 09:53:37 -2124.083330 1.638781 BFGS: 2057 09:53:37 -2124.081264 1.216642 BFGS: 2058 09:53:37 -2124.079166 0.847693 BFGS: 2059 09:53:37 -2124.077011 1.191302 BFGS: 2060 09:53:37 -2124.074856 1.414674 BFGS: 2061 09:53:37 -2124.072780 0.973091 BFGS: 2062 09:53:37 -2124.070670 0.716834 BFGS: 2063 09:53:37 -2124.068537 0.954292 BFGS: 2064 09:53:37 -2124.066397 1.191761 BFGS: 2065 09:53:37 -2124.064295 1.053381 BFGS: 2066 09:53:38 -2124.062073 1.352014 BFGS: 2067 09:53:38 -2124.060028 1.375014 BFGS: 2068 09:53:38 -2124.057935 1.230741 BFGS: 2069 09:53:38 -2124.055602 1.609718 BFGS: 2070 09:53:38 -2124.053695 1.376253 BFGS: 2071 09:53:38 -2124.051611 1.192089 BFGS: 2072 09:53:38 -2124.049424 1.332873 BFGS: 2073 09:53:38 -2124.047381 1.337502 BFGS: 2074 09:53:38 -2124.045292 1.227552 BFGS: 2075 09:53:38 -2124.042721 1.955842 BFGS: 2076 09:53:38 -2124.041064 1.403499 BFGS: 2077 09:53:38 -2124.038997 1.161691 BFGS: 2078 09:53:38 -2124.036887 1.125523 BFGS: 2079 09:53:38 -2124.034787 1.282746 BFGS: 2080 09:53:38 -2124.032694 1.271311 BFGS: 2081 09:53:38 -2123.959374 29.396821 BFGS: 2082 09:53:38 -2124.028464 1.551857 BFGS: 2083 09:53:38 -2124.026433 1.129437 BFGS: 2084 09:53:38 -2124.024370 0.872445 BFGS: 2085 09:53:38 -2124.022255 1.131364 BFGS: 2086 09:53:38 -2124.020135 1.392353 BFGS: 2087 09:53:38 -2124.018076 1.195848 BFGS: 2088 09:53:38 -2124.015928 1.323307 BFGS: 2089 09:53:38 -2124.013894 1.316858 BFGS: 2090 09:53:39 -2124.011826 1.221651 BFGS: 2091 09:53:39 -2124.009072 2.311634 BFGS: 2092 09:53:39 -2124.007642 1.405022 BFGS: 2093 09:53:39 -2124.005600 1.137412 BFGS: 2094 09:53:39 -2124.003528 1.079601 BFGS: 2095 09:53:39 -2124.001438 1.247252 BFGS: 2096 09:53:39 -2123.999361 1.281021 BFGS: 2097 09:53:39 -2123.990648 8.299082 BFGS: 2098 09:53:39 -2123.995191 1.471427 BFGS: 2099 09:53:39 -2123.993173 1.089009 BFGS: 2100 09:53:39 -2123.991129 0.909157 BFGS: 2101 09:53:39 -2123.989035 1.137826 BFGS: 2102 09:53:39 -2123.986941 1.370212 BFGS: 2103 09:53:39 -2123.984920 1.005739 BFGS: 2104 09:53:39 -2123.982876 0.881253 BFGS: 2105 09:53:39 -2123.980789 1.107621 BFGS: 2106 09:53:39 -2123.978693 1.398467 BFGS: 2107 09:53:39 -2123.976643 1.349214 BFGS: 2108 09:53:39 -2123.970063 6.786987 BFGS: 2109 09:53:39 -2123.972516 1.457939 BFGS: 2110 09:53:39 -2123.970512 1.081716 BFGS: 2111 09:53:40 -2123.968483 0.931101 BFGS: 2112 09:53:40 -2123.966405 1.133595 BFGS: 2113 09:53:40 -2123.964328 1.354130 BFGS: 2114 09:53:40 -2123.962327 0.911594 BFGS: 2115 09:53:40 -2123.960293 0.800988 BFGS: 2116 09:53:40 -2123.958238 0.883616 BFGS: 2117 09:53:40 -2123.956178 1.089478 BFGS: 2118 09:53:40 -2123.954156 0.842521 BFGS: 2119 09:53:40 -2123.952124 0.917722 BFGS: 2120 09:53:40 -2123.950055 1.125351 BFGS: 2121 09:53:40 -2123.947987 1.364181 BFGS: 2122 09:53:40 -2123.945992 1.028170 BFGS: 2123 09:53:41 -2123.943976 0.972127 BFGS: 2124 09:53:41 -2123.941914 1.131063 BFGS: 2125 09:53:41 -2123.939859 1.319138 BFGS: 2126 09:53:41 -2123.937885 0.817771 BFGS: 2127 09:53:41 -2123.935842 0.927488 BFGS: 2128 09:53:41 -2123.933787 1.209694 BFGS: 2129 09:53:41 -2123.931761 1.218050 BFGS: 2130 09:53:41 -2123.743157 50.291533 BFGS: 2131 09:53:41 -2123.927615 1.793777 BFGS: 2132 09:53:41 -2123.925710 1.146568 BFGS: 2133 09:53:41 -2123.923729 0.873815 BFGS: 2134 09:53:41 -2123.921692 0.960192 BFGS: 2135 09:53:41 -2123.884911 0.809078 BFGS: 2136 09:53:41 -2123.917510 1.877799 BFGS: 2137 09:53:41 -2123.915366 2.330762 BFGS: 2138 09:53:42 -2123.913195 2.757339 BFGS: 2139 09:53:42 -2123.910808 2.561604 BFGS: 2140 09:53:42 -2123.908815 3.449020 BFGS: 2141 09:53:42 -2123.906606 3.801661 BFGS: 2142 09:53:42 -2123.905010 3.168316 BFGS: 2143 09:53:42 -2123.903564 1.105989 BFGS: 2144 09:53:42 -2123.901623 1.134004 BFGS: 2145 09:53:42 -2123.899636 1.270471 BFGS: 2146 09:53:42 -2123.897464 1.379566 BFGS: 2147 09:53:42 -2123.895646 1.277056 BFGS: 2148 09:53:42 -2123.893660 1.230701 BFGS: 2149 09:53:42 -2123.886640 7.427726 BFGS: 2150 09:53:42 -2123.889679 1.283974 BFGS: 2151 09:53:42 -2123.887739 0.917324 BFGS: 2152 09:53:42 -2123.885774 1.044381 BFGS: 2153 09:53:43 -2123.883762 0.975116 BFGS: 2154 09:53:43 -2123.881753 1.184397 BFGS: 2155 09:53:43 -2123.879819 0.798325 BFGS: 2156 09:53:43 -2123.877843 0.849665 BFGS: 2157 09:53:43 -2123.875853 1.132089 BFGS: 2158 09:53:43 -2123.873836 1.148215 BFGS: 2159 09:53:43 -2123.871859 1.150673 BFGS: 2160 09:53:43 -2119.806239 309.647704 BFGS: 2161 09:53:43 -2123.867824 1.628734 BFGS: 2162 09:53:43 -2123.865901 1.366699 BFGS: 2163 09:53:43 -2123.863870 1.586478 BFGS: 2164 09:53:43 -2123.861997 1.106570 BFGS: 2165 09:53:43 -2123.860039 1.010287 BFGS: 2166 09:53:43 -2123.857536 2.226337 BFGS: 2167 09:53:43 -2123.856077 1.215706 BFGS: 2168 09:53:44 -2123.854142 0.960644 BFGS: 2169 09:53:44 -2123.852176 1.244050 BFGS: 2170 09:53:44 -2123.850201 1.073333 BFGS: 2171 09:53:44 -2123.848237 1.090182 BFGS: 2172 09:53:44 -2123.816298 19.123309 BFGS: 2173 09:53:44 -2123.844282 1.324573 BFGS: 2174 09:53:44 -2123.842376 0.916077 BFGS: 2175 09:53:44 -2123.840442 1.029653 BFGS: 2176 09:53:44 -2123.838460 0.937666 BFGS: 2177 09:53:44 -2123.836473 1.204610 BFGS: 2178 09:53:44 -2123.834537 1.069429 BFGS: 2179 09:53:44 -2123.832318 1.902600 BFGS: 2180 09:53:44 -2123.830620 1.178696 BFGS: 2181 09:53:45 -2123.828694 0.979129 BFGS: 2182 09:53:45 -2123.826702 1.421636 BFGS: 2183 09:53:45 -2123.824782 1.117447 BFGS: 2184 09:53:45 -2123.822844 1.042920 BFGS: 2185 09:53:45 -2123.819793 3.336940 BFGS: 2186 09:53:45 -2123.818931 1.232787 BFGS: 2187 09:53:45 -2123.817024 0.933359 BFGS: 2188 09:53:45 -2123.815096 1.162099 BFGS: 2189 09:53:45 -2123.813133 1.027100 BFGS: 2190 09:53:45 -2123.811183 1.122167 BFGS: 2191 09:53:45 -2123.809053 1.802215 BFGS: 2192 09:53:45 -2123.807304 1.156897 BFGS: 2193 09:53:45 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-2121.516802 0.693355 BFGS: 4069 09:55:02 -2121.515984 0.752152 BFGS: 4070 09:55:02 -2121.515041 1.645727 BFGS: 4071 09:55:02 -2121.514351 0.804957 BFGS: 4072 09:55:02 -2121.513545 0.632420 BFGS: 4073 09:55:02 -2121.512727 0.646010 BFGS: 4074 09:55:02 -2121.511912 0.727532 BFGS: 4075 09:55:02 -2121.511099 0.716130 BFGS: 4076 09:55:02 -2121.499826 15.682225 BFGS: 4077 09:55:02 -2121.509463 0.891178 BFGS: 4078 09:55:02 -2121.508665 0.580841 BFGS: 4079 09:55:02 -2121.507859 0.426857 BFGS: 4080 09:55:02 -2121.507039 0.598805 BFGS: 4081 09:55:02 -2121.506216 0.828487 BFGS: 4082 09:55:02 -2121.505402 0.869908 BFGS: 4083 09:55:02 -2121.503916 3.852142 BFGS: 4084 09:55:02 -2121.503781 0.840736 BFGS: 4085 09:55:02 -2121.502982 0.594905 BFGS: 4086 09:55:02 -2121.502177 0.494391 BFGS: 4087 09:55:02 -2121.501359 0.657208 BFGS: 4088 09:55:02 -2121.500543 0.775699 BFGS: 4089 09:55:03 -2121.499747 0.473334 BFGS: 4090 09:55:03 -2121.498931 0.614549 BFGS: 4091 09:55:03 -2121.498114 0.785767 BFGS: 4092 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-2121.440601 0.600037 BFGS: 4164 09:55:04 -2121.439815 0.583299 BFGS: 4165 09:55:04 -2121.439020 0.679608 BFGS: 4166 09:55:04 -2121.438230 0.724839 BFGS: 4167 09:55:04 -2121.437151 2.528216 BFGS: 4168 09:55:04 -2121.436650 0.808657 BFGS: 4169 09:55:04 -2121.435872 0.594753 BFGS: 4170 09:55:05 -2121.435088 0.563383 BFGS: 4171 09:55:05 -2121.434295 0.669421 BFGS: 4172 09:55:05 -2121.433505 0.732909 BFGS: 4173 09:55:05 -2121.432635 1.362515 BFGS: 4174 09:55:05 -2121.431930 0.772870 BFGS: 4175 09:55:05 -2121.431151 0.623399 BFGS: 4176 09:55:05 -2121.430355 0.737849 BFGS: 4177 09:55:05 -2121.429575 0.726355 BFGS: 4178 09:55:05 -2121.428792 0.679339 BFGS: 4179 09:55:05 -2121.427565 3.129412 BFGS: 4180 09:55:05 -2121.427216 0.820254 BFGS: 4181 09:55:05 -2121.426442 0.585744 BFGS: 4182 09:55:05 -2121.425663 0.530481 BFGS: 4183 09:55:05 -2121.424872 0.649225 BFGS: 4184 09:55:05 -2121.424084 0.748503 BFGS: 4185 09:55:05 -2121.423306 0.638314 BFGS: 4186 09:55:05 -2121.422521 0.672942 BFGS: 4187 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-2121.366833 0.650159 BFGS: 4259 09:55:07 -2121.366066 0.709260 BFGS: 4260 09:55:07 -2121.365204 1.484448 BFGS: 4261 09:55:07 -2121.364536 0.770121 BFGS: 4262 09:55:07 -2121.363780 0.610283 BFGS: 4263 09:55:07 -2121.363011 0.708728 BFGS: 4264 09:55:07 -2121.362250 0.706516 BFGS: 4265 09:55:07 -2121.361488 0.679955 BFGS: 4266 09:55:07 -2121.359210 5.964275 BFGS: 4267 09:55:07 -2121.359957 0.831763 BFGS: 4268 09:55:07 -2121.359207 0.559675 BFGS: 4269 09:55:07 -2121.358451 0.491321 BFGS: 4270 09:55:07 -2121.357683 0.601114 BFGS: 4271 09:55:07 -2121.356914 0.773668 BFGS: 4272 09:55:07 -2121.356163 0.563017 BFGS: 4273 09:55:07 -2121.355405 0.562366 BFGS: 4274 09:55:07 -2121.354638 0.653684 BFGS: 4275 09:55:07 -2121.353875 0.730475 BFGS: 4276 09:55:07 -2121.353089 0.912726 BFGS: 4277 09:55:07 -2121.352356 0.728678 BFGS: 4278 09:55:07 -2121.351601 0.639617 BFGS: 4279 09:55:07 -2121.350769 1.268509 BFGS: 4280 09:55:07 -2121.350077 0.767547 BFGS: 4281 09:55:07 -2121.349325 0.617904 BFGS: 4282 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-2121.226099 0.599926 BFGS: 4449 09:55:11 -2121.225371 0.787908 BFGS: 4450 09:55:11 -2121.224660 0.695693 BFGS: 4451 09:55:12 -2121.223944 0.645500 BFGS: 4452 09:55:12 -2121.222918 2.707778 BFGS: 4453 09:55:12 -2121.222504 0.780175 BFGS: 4454 09:55:12 -2121.221796 0.561929 BFGS: 4455 09:55:12 -2121.221083 0.588831 BFGS: 4456 09:55:12 -2121.220361 0.627833 BFGS: 4457 09:55:12 -2121.219641 0.708004 BFGS: 4458 09:55:12 -2121.218912 0.860749 BFGS: 4459 09:55:12 -2121.218211 0.693228 BFGS: 4460 09:55:12 -2121.217498 0.630021 BFGS: 4461 09:55:12 -2121.216618 1.964629 BFGS: 4462 09:55:12 -2121.216062 0.766661 BFGS: 4463 09:55:12 -2121.215355 0.575209 BFGS: 4464 09:55:12 -2121.214642 0.642905 BFGS: 4465 09:55:12 -2121.213923 0.652077 BFGS: 4466 09:55:12 -2121.213208 0.685100 BFGS: 4467 09:55:12 -2121.211915 3.742436 BFGS: 4468 09:55:12 -2121.211775 0.789617 BFGS: 4469 09:55:12 -2121.211072 0.550355 BFGS: 4470 09:55:12 -2121.210363 0.556514 BFGS: 4471 09:55:12 -2121.209644 0.606325 BFGS: 4472 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-2121.158901 0.688664 BFGS: 4544 09:55:14 -2121.158206 0.640193 BFGS: 4545 09:55:14 -2121.157195 2.764975 BFGS: 4546 09:55:14 -2121.156807 0.774234 BFGS: 4547 09:55:14 -2121.156120 0.555769 BFGS: 4548 09:55:14 -2121.155428 0.594911 BFGS: 4549 09:55:14 -2121.154726 0.619963 BFGS: 4550 09:55:14 -2121.154027 0.703671 BFGS: 4551 09:55:14 -2121.153326 0.812402 BFGS: 4552 09:55:14 -2121.152638 0.674469 BFGS: 4553 09:55:14 -2121.151945 0.634111 BFGS: 4554 09:55:14 -2121.150791 3.359484 BFGS: 4555 09:55:14 -2121.150550 0.781678 BFGS: 4556 09:55:14 -2121.149865 0.548641 BFGS: 4557 09:55:14 -2121.149176 0.572594 BFGS: 4558 09:55:14 -2121.148476 0.605530 BFGS: 4559 09:55:14 -2121.147778 0.715738 BFGS: 4560 09:55:14 -2121.147095 0.564857 BFGS: 4561 09:55:14 -2121.146397 0.574981 BFGS: 4562 09:55:14 -2121.145698 0.717451 BFGS: 4563 09:55:14 -2121.145017 0.379923 BFGS: 4564 09:55:14 -2121.144325 0.392296 BFGS: 4565 09:55:14 -2121.143514 1.631383 BFGS: 4566 09:55:14 -2121.142926 0.789122 BFGS: 4567 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-2121.093660 0.813531 BFGS: 4639 09:55:16 -2121.092995 0.524758 BFGS: 4640 09:55:16 -2121.092324 0.517241 BFGS: 4641 09:55:16 -2121.091642 0.544916 BFGS: 4642 09:55:16 -2121.090958 0.760425 BFGS: 4643 09:55:16 -2121.090280 0.798967 BFGS: 4644 09:55:16 -2121.089070 3.693495 BFGS: 4645 09:55:16 -2121.088931 0.769964 BFGS: 4646 09:55:16 -2121.088265 0.540812 BFGS: 4647 09:55:16 -2121.087594 0.581250 BFGS: 4648 09:55:16 -2121.086913 0.601073 BFGS: 4649 09:55:16 -2121.086234 0.710863 BFGS: 4650 09:55:16 -2121.085570 0.570361 BFGS: 4651 09:55:16 -2121.084891 0.568077 BFGS: 4652 09:55:16 -2121.084212 0.714602 BFGS: 4653 09:55:16 -2121.083548 0.403573 BFGS: 4654 09:55:17 -2121.082876 0.437185 BFGS: 4655 09:55:17 -2121.082203 0.429814 BFGS: 4656 09:55:17 -2121.081370 1.928861 BFGS: 4657 09:55:17 -2121.080842 0.793979 BFGS: 4658 09:55:17 -2121.080178 0.569127 BFGS: 4659 09:55:17 -2121.079510 0.609691 BFGS: 4660 09:55:17 -2121.078832 0.612100 BFGS: 4661 09:55:17 -2121.078157 0.694743 BFGS: 4662 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-2120.968722 0.683334 BFGS: 4829 09:55:21 -2120.968087 0.594062 BFGS: 4830 09:55:21 -2120.967400 1.110429 BFGS: 4831 09:55:21 -2120.966805 0.711870 BFGS: 4832 09:55:21 -2120.966171 0.580520 BFGS: 4833 09:55:21 -2120.965522 0.847515 BFGS: 4834 09:55:21 -2120.964892 0.674874 BFGS: 4835 09:55:21 -2120.964256 0.615714 BFGS: 4836 09:55:21 -2120.963461 2.011009 BFGS: 4837 09:55:21 -2120.962976 0.739761 BFGS: 4838 09:55:21 -2120.962346 0.551127 BFGS: 4839 09:55:21 -2120.961710 0.669116 BFGS: 4840 09:55:21 -2120.961069 0.623596 BFGS: 4841 09:55:21 -2120.960431 0.663671 BFGS: 4842 09:55:21 -2120.959543 2.556710 BFGS: 4843 09:55:21 -2120.959154 0.746054 BFGS: 4844 09:55:21 -2120.958526 0.541159 BFGS: 4845 09:55:21 -2120.957893 0.635834 BFGS: 4846 09:55:21 -2120.957252 0.607791 BFGS: 4847 09:55:21 -2120.956614 0.677888 BFGS: 4848 09:55:21 -2120.955953 0.992292 BFGS: 4849 09:55:21 -2120.955343 0.684595 BFGS: 4850 09:55:21 -2120.954711 0.591761 BFGS: 4851 09:55:21 -2120.954035 1.077150 BFGS: 4852 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-2120.738662 0.596310 BFGS: 5209 09:55:30 -2120.737955 1.923003 BFGS: 5210 09:55:30 -2120.737511 0.715598 BFGS: 5211 09:55:30 -2120.736943 0.534483 BFGS: 5212 09:55:30 -2120.736372 0.697215 BFGS: 5213 09:55:30 -2120.735795 0.604759 BFGS: 5214 09:55:30 -2120.735221 0.642073 BFGS: 5215 09:55:30 -2120.734406 2.613789 BFGS: 5216 09:55:30 -2120.734073 0.724440 BFGS: 5217 09:55:30 -2120.733507 0.522449 BFGS: 5218 09:55:30 -2120.732937 0.655769 BFGS: 5219 09:55:30 -2120.732361 0.584546 BFGS: 5220 09:55:31 -2120.731786 0.660247 BFGS: 5221 09:55:31 -2120.731206 0.891260 BFGS: 5222 09:55:31 -2120.730644 0.641956 BFGS: 5223 09:55:31 -2120.730074 0.590317 BFGS: 5224 09:55:31 -2120.729337 2.148732 BFGS: 5225 09:55:31 -2120.728927 0.720131 BFGS: 5226 09:55:31 -2120.728362 0.529467 BFGS: 5227 09:55:31 -2120.727793 0.678312 BFGS: 5228 09:55:31 -2120.727219 0.595174 BFGS: 5229 09:55:31 -2120.726646 0.649410 BFGS: 5230 09:55:31 -2120.726009 1.380223 BFGS: 5231 09:55:31 -2120.725504 0.692941 BFGS: 5232 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-2120.672475 19.706635 BFGS: 5304 09:55:33 -2120.684291 0.774248 BFGS: 5305 09:55:33 -2120.683742 0.494978 BFGS: 5306 09:55:33 -2120.683187 0.571791 BFGS: 5307 09:55:33 -2120.682624 0.505896 BFGS: 5308 09:55:33 -2120.682059 0.719987 BFGS: 5309 09:55:33 -2120.681497 0.801069 BFGS: 5310 09:55:33 -2120.680930 0.958492 BFGS: 5311 09:55:33 -2120.680387 0.630473 BFGS: 5312 09:55:33 -2120.679831 0.572398 BFGS: 5313 09:55:33 -2120.679164 1.758343 BFGS: 5314 09:55:33 -2120.678712 0.707345 BFGS: 5315 09:55:33 -2120.678160 0.533108 BFGS: 5316 09:55:33 -2120.677604 0.715914 BFGS: 5317 09:55:33 -2120.677044 0.604022 BFGS: 5318 09:55:33 -2120.676486 0.631484 BFGS: 5319 09:55:33 -2120.675384 3.991518 BFGS: 5320 09:55:33 -2120.675369 0.733390 BFGS: 5321 09:55:33 -2120.674819 0.504817 BFGS: 5322 09:55:33 -2120.674266 0.619730 BFGS: 5323 09:55:33 -2120.673706 0.551500 BFGS: 5324 09:55:33 -2120.673146 0.678692 BFGS: 5325 09:55:33 -2120.672599 0.483827 BFGS: 5326 09:55:33 -2120.672042 0.438064 BFGS: 5327 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-2120.388837 0.476951 BFGS: 5874 09:55:47 -2120.388357 0.685924 BFGS: 5875 09:55:47 -2120.387870 0.533478 BFGS: 5876 09:55:47 -2120.387386 0.611985 BFGS: 5877 09:55:47 -2120.386903 0.828927 BFGS: 5878 09:55:47 -2120.386422 0.569629 BFGS: 5879 09:55:47 -2120.385940 0.559825 BFGS: 5880 09:55:47 -2120.380917 12.462991 BFGS: 5881 09:55:47 -2120.384971 0.710101 BFGS: 5882 09:55:47 -2120.384497 0.451755 BFGS: 5883 09:55:47 -2120.384018 0.608835 BFGS: 5884 09:55:47 -2120.383533 0.469203 BFGS: 5885 09:55:47 -2120.383046 0.667761 BFGS: 5886 09:55:48 -2120.382562 0.728528 BFGS: 5887 09:55:48 -2120.382036 1.288864 BFGS: 5888 09:55:48 -2120.381604 0.623429 BFGS: 5889 09:55:48 -2120.381126 0.501850 BFGS: 5890 09:55:48 -2120.380639 0.867631 BFGS: 5891 09:55:48 -2120.380162 0.597024 BFGS: 5892 09:55:48 -2120.379682 0.552629 BFGS: 5893 09:55:48 -2120.379030 2.357802 BFGS: 5894 09:55:48 -2120.378718 0.668164 BFGS: 5895 09:55:48 -2120.378242 0.479269 BFGS: 5896 09:55:48 -2120.377764 0.695241 BFGS: 5897 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-2120.182365 0.818409 BFGS: 6325 09:56:02 -2120.181931 0.537594 BFGS: 6326 09:56:02 -2120.181497 0.539016 BFGS: 6327 09:56:02 -2119.970210 96.224984 BFGS: 6328 09:56:02 -2120.180624 0.736612 BFGS: 6329 09:56:02 -2120.180197 0.486735 BFGS: 6330 09:56:02 -2120.179767 0.659834 BFGS: 6331 09:56:02 -2120.179330 0.472910 BFGS: 6332 09:56:02 -2120.178894 0.606521 BFGS: 6333 09:56:02 -2120.178465 0.468777 BFGS: 6334 09:56:02 -2120.178034 0.612201 BFGS: 6335 09:56:02 -2120.177598 0.442630 BFGS: 6336 09:56:02 -2120.177159 0.655900 BFGS: 6337 09:56:02 -2120.176721 0.817558 BFGS: 6338 09:56:02 -2120.176295 0.592099 BFGS: 6339 09:56:02 -2120.175866 0.752547 BFGS: 6340 09:56:02 -2120.175432 0.510263 BFGS: 6341 09:56:02 -2120.174998 0.556822 BFGS: 6342 09:56:02 -2120.174512 1.390818 BFGS: 6343 09:56:02 -2120.174132 0.614894 BFGS: 6344 09:56:02 -2120.173703 0.475162 BFGS: 6345 09:56:02 -2120.173270 0.806752 BFGS: 6346 09:56:02 -2120.172837 0.549753 BFGS: 6347 09:56:02 -2120.172406 0.542603 BFGS: 6348 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-2120.141556 0.695321 BFGS: 6420 09:56:04 -2120.141135 0.525730 BFGS: 6421 09:56:04 -2120.140712 0.679454 BFGS: 6422 09:56:04 -2120.140286 0.503442 BFGS: 6423 09:56:04 -2120.139859 0.610601 BFGS: 6424 09:56:04 -2120.139442 0.614448 BFGS: 6425 09:56:04 -2120.139015 0.452613 BFGS: 6426 09:56:04 -2120.138586 0.624425 BFGS: 6427 09:56:04 -2120.130459 7.585276 BFGS: 6428 09:56:04 -2120.137717 1.087124 BFGS: 6429 09:56:04 -2120.137282 1.208662 BFGS: 6430 09:56:04 -2120.136845 0.912532 BFGS: 6431 09:56:04 -2120.136410 1.390884 BFGS: 6432 09:56:04 -2120.135976 1.589541 BFGS: 6433 09:56:04 -2100.681588 734.765989 BFGS: 6434 09:56:04 -2120.121696 21.839863 BFGS: 6435 09:56:04 -2120.123839 14.894863 BFGS: 6436 09:56:04 -2120.124138 16.181848 BFGS: 6437 09:56:04 -2120.124009 16.126826 BFGS: 6438 09:56:04 -2120.123607 15.546157 BFGS: 6439 09:56:04 -2120.123065 15.042388 BFGS: 6440 09:56:04 -2120.122463 14.751762 BFGS: 6441 09:56:04 -2120.121837 14.637164 BFGS: 6442 09:56:04 -2120.121201 14.614638 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-2120.121686 0.502975 BFGS: 6467 09:56:05 -2120.121265 0.527336 BFGS: 6468 09:56:05 -2120.120516 3.449299 BFGS: 6469 09:56:05 -2120.120421 0.645014 BFGS: 6470 09:56:05 -2120.120006 0.440017 BFGS: 6471 09:56:05 -2120.119588 0.670799 BFGS: 6472 09:56:05 -2120.119165 0.482513 BFGS: 6473 09:56:05 -2120.118742 0.594706 BFGS: 6474 09:56:05 -2120.118328 0.560203 BFGS: 6475 09:56:05 -2120.117907 0.488412 BFGS: 6476 09:56:05 -2120.117487 0.456220 BFGS: 6477 09:56:05 -2120.117065 0.796459 BFGS: 6478 09:56:05 -2120.116645 0.554593 BFGS: 6479 09:56:05 -2120.116226 0.542452 BFGS: 6480 09:56:05 -2120.113425 9.451056 BFGS: 6481 09:56:05 -2120.115384 0.665271 BFGS: 6482 09:56:05 -2120.114971 0.448437 BFGS: 6483 09:56:05 -2120.114554 0.630788 BFGS: 6484 09:56:06 -2120.114132 0.444366 BFGS: 6485 09:56:06 -2120.113709 0.627150 BFGS: 6486 09:56:06 -2120.113289 0.659898 BFGS: 6487 09:56:06 -2120.112594 3.189250 BFGS: 6488 09:56:06 -2120.112453 0.633380 BFGS: 6489 09:56:06 -2120.112039 0.440098 BFGS: 6490 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-2120.082158 0.644072 BFGS: 6562 09:56:07 -2120.081743 0.447390 BFGS: 6563 09:56:07 -2120.081328 0.609312 BFGS: 6564 09:56:07 -2120.080917 0.557508 BFGS: 6565 09:56:08 -2120.080395 2.026483 BFGS: 6566 09:56:08 -2120.080093 0.614449 BFGS: 6567 09:56:08 -2120.079686 0.446265 BFGS: 6568 09:56:08 -2120.079276 0.733057 BFGS: 6569 09:56:08 -2120.078862 0.508090 BFGS: 6570 09:56:08 -2120.078450 0.554820 BFGS: 6571 09:56:08 -2120.077991 1.346942 BFGS: 6572 09:56:08 -2120.077627 0.596473 BFGS: 6573 09:56:08 -2120.077220 0.461928 BFGS: 6574 09:56:08 -2120.076807 0.816690 BFGS: 6575 09:56:08 -2120.076397 0.538214 BFGS: 6576 09:56:08 -2120.075987 0.526578 BFGS: 6577 09:56:08 -2120.073183 9.553111 BFGS: 6578 09:56:08 -2120.075162 0.655868 BFGS: 6579 09:56:08 -2120.074758 0.453913 BFGS: 6580 09:56:08 -2120.074350 0.634470 BFGS: 6581 09:56:08 -2120.073937 0.443087 BFGS: 6582 09:56:08 -2120.073523 0.618260 BFGS: 6583 09:56:08 -2120.073112 0.654468 BFGS: 6584 09:56:08 -2120.072505 2.720198 BFGS: 6585 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-2120.043439 0.462829 BFGS: 6657 09:56:10 -2120.043033 0.584871 BFGS: 6658 09:56:10 -2120.042635 0.514487 BFGS: 6659 09:56:10 -2120.042232 0.556244 BFGS: 6660 09:56:10 -2120.041829 0.635790 BFGS: 6661 09:56:10 -2120.041423 0.482511 BFGS: 6662 09:56:10 -2120.041017 0.618909 BFGS: 6663 09:56:10 -2120.040619 0.460361 BFGS: 6664 09:56:10 -2120.040218 0.653071 BFGS: 6665 09:56:10 -2120.039813 0.450358 BFGS: 6666 09:56:10 -2120.039407 0.597203 BFGS: 6667 09:56:10 -2120.039007 0.474291 BFGS: 6668 09:56:10 -2120.038601 0.869414 BFGS: 6669 09:56:10 -2120.038201 0.543579 BFGS: 6670 09:56:10 -2120.037800 0.508225 BFGS: 6671 09:56:10 -2120.037199 2.727059 BFGS: 6672 09:56:10 -2120.036993 0.621808 BFGS: 6673 09:56:10 -2120.036595 0.446517 BFGS: 6674 09:56:10 -2120.036195 0.695057 BFGS: 6675 09:56:10 -2120.035791 0.480389 BFGS: 6676 09:56:10 -2120.035387 0.567880 BFGS: 6677 09:56:10 -2120.034990 0.713883 BFGS: 6678 09:56:10 -2120.034586 0.469915 BFGS: 6679 09:56:10 -2120.034183 0.554568 BFGS: 6680 09:56:10 -2120.033786 0.728327 BFGS: 6681 09:56:10 -2120.033382 0.479023 BFGS: 6682 09:56:10 -2120.032980 0.548074 BFGS: 6683 09:56:10 -2120.032576 0.883257 BFGS: 6684 09:56:11 -2120.032178 0.533747 BFGS: 6685 09:56:11 -2120.031778 0.503079 BFGS: 6686 09:56:11 -2120.031114 3.146228 BFGS: 6687 09:56:11 -2120.030973 0.625729 BFGS: 6688 09:56:11 -2120.030577 0.449002 BFGS: 6689 09:56:11 -2120.030179 0.682652 BFGS: 6690 09:56:11 -2120.029775 0.471564 BFGS: 6691 09:56:11 -2120.029373 0.574740 BFGS: 6692 09:56:11 -2120.028978 0.607635 BFGS: 6693 09:56:11 -2120.028576 0.470182 BFGS: 6694 09:56:11 -2119.845780 5.355535 BFGS: 6695 09:56:11 -2120.027760 0.936642 BFGS: 6696 09:56:11 -2120.027346 1.206468 BFGS: 6697 09:56:11 -2120.026928 1.473960 BFGS: 6698 09:56:11 -2120.026506 1.748320 BFGS: 6699 09:56:11 -2120.026082 2.014610 BFGS: 6700 09:56:11 -2120.025655 2.260122 BFGS: 6701 09:56:11 -2120.025222 2.539312 BFGS: 6702 09:56:11 -2120.024785 2.816298 BFGS: 6703 09:56:11 -2120.024345 3.092050 BFGS: 6704 09:56:11 -2120.023901 3.364575 BFGS: 6705 09:56:11 -2120.023454 3.631496 BFGS: 6706 09:56:11 -2120.023007 3.868572 BFGS: 6707 09:56:11 -2120.022559 4.080967 BFGS: 6708 09:56:11 -2120.022134 3.982430 BFGS: 6709 09:56:11 -2120.021718 4.001230 BFGS: 6710 09:56:11 -2120.017848 9.908927 BFGS: 6711 09:56:11 -2120.021242 1.449012 BFGS: 6712 09:56:11 -2120.020906 1.140640 BFGS: 6713 09:56:11 -2120.020586 0.945407 BFGS: 6714 09:56:11 -2120.020197 0.454639 BFGS: 6715 09:56:11 -2120.019798 0.456366 BFGS: 6716 09:56:11 -2120.019362 1.214436 BFGS: 6717 09:56:11 -2120.018999 0.574768 BFGS: 6718 09:56:11 -2120.018604 0.449925 BFGS: 6719 09:56:11 -2120.018204 0.860485 BFGS: 6720 09:56:11 -2120.017808 0.522640 BFGS: 6721 09:56:11 -2120.017411 0.494435 BFGS: 6722 09:56:11 -2120.016687 3.532506 BFGS: 6723 09:56:11 -2120.016613 0.610564 BFGS: 6724 09:56:12 -2120.016220 0.459360 BFGS: 6725 09:56:12 -2120.015825 0.683199 BFGS: 6726 09:56:12 -2120.015425 0.449012 BFGS: 6727 09:56:12 -2120.015026 0.562230 BFGS: 6728 09:56:12 -2120.014634 0.560065 BFGS: 6729 09:56:12 -2120.014237 0.521552 BFGS: 6730 09:56:12 -2120.013841 0.631514 BFGS: 6731 09:56:12 -2120.013442 0.459919 BFGS: 6732 09:56:12 -2120.013040 0.611570 BFGS: 6733 09:56:12 -2120.012640 0.732245 BFGS: 6734 09:56:12 -2120.012254 0.557070 BFGS: 6735 09:56:12 -2120.011857 0.509873 BFGS: 6736 09:56:12 -2120.011462 0.579450 BFGS: 6737 09:56:12 -2120.011065 0.552084 BFGS: 6738 09:56:12 -2120.010669 0.675581 BFGS: 6739 09:56:12 -2120.010269 0.495220 BFGS: 6740 09:56:12 -2120.009871 0.574209 BFGS: 6741 09:56:12 -2120.009478 0.814871 BFGS: 6742 09:56:12 -2120.009082 0.487246 BFGS: 6743 09:56:12 -2120.008686 0.501439 BFGS: 6744 09:56:12 -2120.007138 6.696226 BFGS: 6745 09:56:12 -2120.007892 0.623257 BFGS: 6746 09:56:12 -2120.007502 0.465846 BFGS: 6747 09:56:12 -2120.007108 0.653768 BFGS: 6748 09:56:12 -2120.006710 0.451767 BFGS: 6749 09:56:12 -2120.006312 0.584476 BFGS: 6750 09:56:12 -2120.005917 0.549218 BFGS: 6751 09:56:12 -2120.005253 3.223397 BFGS: 6752 09:56:12 -2120.005126 0.603084 BFGS: 6753 09:56:12 -2120.004736 0.458969 BFGS: 6754 09:56:12 -2120.004343 0.693017 BFGS: 6755 09:56:12 -2120.003945 0.454845 BFGS: 6756 09:56:12 -2120.003548 0.554564 BFGS: 6757 09:56:12 -2120.003160 0.632775 BFGS: 6758 09:56:12 -2120.002763 0.470553 BFGS: 6759 09:56:12 -2120.002364 0.607091 BFGS: 6760 09:56:12 -2120.001964 0.778003 BFGS: 6761 09:56:12 -2120.001574 0.650642 BFGS: 6762 09:56:12 -2120.001166 1.084521 BFGS: 6763 09:56:12 -2120.000789 0.533429 BFGS: 6764 09:56:13 -2120.000397 0.453742 BFGS: 6765 09:56:13 -2119.999984 1.083549 BFGS: 6766 09:56:13 -2119.999607 0.558620 BFGS: 6767 09:56:13 -2119.999216 0.457200 BFGS: 6768 09:56:13 -2119.998813 0.959812 BFGS: 6769 09:56:13 -2119.998427 0.540138 BFGS: 6770 09:56:13 -2119.998035 0.473132 BFGS: 6771 09:56:13 -2119.997605 1.240436 BFGS: 6772 09:56:13 -2119.997246 0.570562 BFGS: 6773 09:56:13 -2119.996856 0.442612 BFGS: 6774 09:56:13 -2119.996461 0.844016 BFGS: 6775 09:56:13 -2119.996068 0.516441 BFGS: 6776 09:56:13 -2119.995676 0.495809 BFGS: 6777 09:56:13 -2119.994644 4.981672 BFGS: 6778 09:56:13 -2119.994887 0.615717 BFGS: 6779 09:56:13 -2119.994499 0.464322 BFGS: 6780 09:56:13 -2119.994109 0.664640 BFGS: 6781 09:56:13 -2119.993714 0.446910 BFGS: 6782 09:56:13 -2119.993318 0.573476 BFGS: 6783 09:56:13 -2119.992929 0.443579 BFGS: 6784 09:56:13 -2119.992536 0.818146 BFGS: 6785 09:56:13 -2119.992143 0.509092 BFGS: 6786 09:56:13 -2119.991751 0.502087 BFGS: 6787 09:56:13 -2119.985099 15.874625 BFGS: 6788 09:56:13 -2119.990964 0.635737 BFGS: 6789 09:56:13 -2119.990577 0.468180 BFGS: 6790 09:56:13 -2119.990188 0.640168 BFGS: 6791 09:56:13 -2119.989794 0.461230 BFGS: 6792 09:56:13 -2119.989398 0.596871 BFGS: 6793 09:56:13 -2119.989004 0.682622 BFGS: 6794 09:56:13 -2119.988618 0.821297 BFGS: 6795 09:56:13 -2119.988227 0.473508 BFGS: 6796 09:56:13 -2119.987835 0.494833 BFGS: 6797 09:56:13 -2119.987041 3.952312 BFGS: 6798 09:56:13 -2119.987050 0.609351 BFGS: 6799 09:56:13 -2119.986664 0.462306 BFGS: 6800 09:56:13 -2119.986275 0.676336 BFGS: 6801 09:56:13 -2119.985881 0.442040 BFGS: 6802 09:56:13 -2119.985488 0.563641 BFGS: 6803 09:56:14 -2119.985102 0.512620 BFGS: 6804 09:56:14 -2119.984712 0.586704 BFGS: 6805 09:56:14 -2119.984321 0.535459 BFGS: 6806 09:56:14 -2119.983931 0.533746 BFGS: 6807 09:56:14 -2119.979954 11.961534 BFGS: 6808 09:56:14 -2119.983143 0.630647 BFGS: 6809 09:56:14 -2119.982758 0.468896 BFGS: 6810 09:56:14 -2119.982370 0.642051 BFGS: 6811 09:56:14 -2119.981978 0.460490 BFGS: 6812 09:56:14 -2119.981584 0.593893 BFGS: 6813 09:56:14 -2119.981192 0.665266 BFGS: 6814 09:56:14 -2119.980796 0.994665 BFGS: 6815 09:56:14 -2119.980416 0.514939 BFGS: 6816 09:56:14 -2119.980028 0.461856 BFGS: 6817 09:56:14 -2119.979578 1.539205 BFGS: 6818 09:56:14 -2119.979246 0.580430 BFGS: 6819 09:56:14 -2119.978860 0.447201 BFGS: 6820 09:56:14 -2119.978471 0.779339 BFGS: 6821 09:56:14 -2119.978081 0.494456 BFGS: 6822 09:56:14 -2119.977691 0.512414 BFGS: 6823 09:56:14 -2119.976619 5.173433 BFGS: 6824 09:56:14 -2119.976911 0.613474 BFGS: 6825 09:56:14 -2119.976527 0.465565 BFGS: 6826 09:56:14 -2119.976140 0.663639 BFGS: 6827 09:56:14 -2119.975748 0.448468 BFGS: 6828 09:56:14 -2119.975357 0.572337 BFGS: 6829 09:56:14 -2119.974971 0.449469 BFGS: 6830 09:56:14 -2119.974579 0.868231 BFGS: 6831 09:56:14 -2119.974193 0.518999 BFGS: 6832 09:56:14 -2119.973805 0.487410 BFGS: 6833 09:56:14 -2119.973178 3.050147 BFGS: 6834 09:56:14 -2119.973026 0.601054 BFGS: 6835 09:56:14 -2119.972642 0.459782 BFGS: 6836 09:56:14 -2119.972256 0.693867 BFGS: 6837 09:56:14 -2119.971866 0.451615 BFGS: 6838 09:56:14 -2119.971476 0.550357 BFGS: 6839 09:56:14 -2119.971093 0.636154 BFGS: 6840 09:56:14 -2119.970704 0.470670 BFGS: 6841 09:56:14 -2119.970311 0.599014 BFGS: 6842 09:56:14 -2119.969919 0.751319 BFGS: 6843 09:56:15 -2119.969538 0.518347 BFGS: 6844 09:56:15 -2119.969155 0.730886 BFGS: 6845 09:56:15 -2119.968765 0.455641 BFGS: 6846 09:56:15 -2119.968377 0.526111 BFGS: 6847 09:56:15 -2119.967988 0.862880 BFGS: 6848 09:56:15 -2119.967603 0.503188 BFGS: 6849 09:56:15 -2119.967217 0.485724 BFGS: 6850 09:56:15 -2119.965979 5.790638 BFGS: 6851 09:56:15 -2119.966440 0.615384 BFGS: 6852 09:56:15 -2119.966058 0.467035 BFGS: 6853 09:56:15 -2119.965674 0.658779 BFGS: 6854 09:56:15 -2119.965285 0.451600 BFGS: 6855 09:56:15 -2119.964895 0.575373 BFGS: 6856 09:56:15 -2119.964510 0.501231 BFGS: 6857 09:56:15 -2119.964091 1.224833 BFGS: 6858 09:56:15 -2119.963736 0.561493 BFGS: 6859 09:56:15 -2119.963353 0.442392 BFGS: 6860 09:56:15 -2119.962964 0.859615 BFGS: 6861 09:56:15 -2119.962579 0.517070 BFGS: 6862 09:56:15 -2119.962194 0.488282 BFGS: 6863 09:56:15 -2119.961515 3.388565 BFGS: 6864 09:56:15 -2119.961420 0.602387 BFGS: 6865 09:56:15 -2119.961039 0.461827 BFGS: 6866 09:56:15 -2119.960655 0.686065 BFGS: 6867 09:56:15 -2119.960267 0.444795 BFGS: 6868 09:56:15 -2119.959879 0.553977 BFGS: 6869 09:56:15 -2119.959499 0.576936 BFGS: 6870 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0.556101 BFGS: 6918 09:56:16 -2119.934619 15.545566 BFGS: 6919 09:56:16 -2119.938415 3.834348 BFGS: 6920 09:56:17 -2119.939405 2.899081 BFGS: 6921 09:56:17 -2119.929082 20.391210 BFGS: 6922 09:56:17 -2119.937551 6.770353 BFGS: 6923 09:56:17 -2119.938350 0.469221 BFGS: 6924 09:56:17 -2119.937971 0.425036 BFGS: 6925 09:56:17 -2119.931414 13.174270 BFGS: 6926 09:56:17 -2119.937090 2.445095 BFGS: 6927 09:56:17 -2119.936822 0.751628 BFGS: 6928 09:56:17 -2119.936451 0.600247 BFGS: 6929 09:56:17 -2119.936077 1.000659 BFGS: 6930 09:56:17 -2119.935714 0.399551 BFGS: 6931 09:56:17 -2119.935336 0.408344 BFGS: 6932 09:56:17 -2119.934836 2.021446 BFGS: 6933 09:56:17 -2119.934575 0.570858 BFGS: 6934 09:56:17 -2119.934198 0.422666 BFGS: 6935 09:56:17 -2119.933820 0.697954 BFGS: 6936 09:56:17 -2119.933440 0.453861 BFGS: 6937 09:56:17 -2119.933060 0.496748 BFGS: 6938 09:56:17 -2119.932614 1.694127 BFGS: 6939 09:56:17 -2119.932301 0.564063 BFGS: 6940 09:56:17 -2119.931926 0.391946 BFGS: 6941 09:56:17 -2119.931549 0.687240 BFGS: 6942 09:56:17 -2119.931168 0.438266 BFGS: 6943 09:56:17 -2119.930788 0.488988 BFGS: 6944 09:56:17 -2119.930381 1.156459 BFGS: 6945 09:56:17 -2119.930031 0.528665 BFGS: 6946 09:56:17 -2119.929655 0.405032 BFGS: 6947 09:56:17 -2119.929274 0.807860 BFGS: 6948 09:56:17 -2119.928897 0.480602 BFGS: 6949 09:56:17 -2119.928519 0.452152 BFGS: 6950 09:56:17 -2119.927838 3.503905 BFGS: 6951 09:56:17 -2119.927761 0.579731 BFGS: 6952 09:56:17 -2119.927387 0.406201 BFGS: 6953 09:56:17 -2119.927012 0.620856 BFGS: 6954 09:56:17 -2119.926631 0.396230 BFGS: 6955 09:56:17 -2119.926251 0.524522 BFGS: 6956 09:56:17 -2119.925877 0.442960 BFGS: 6957 09:56:17 -2119.925502 0.576923 BFGS: 6958 09:56:17 -2119.925122 0.422265 BFGS: 6959 09:56:17 -2119.924740 0.570529 BFGS: 6960 09:56:18 -2119.924356 0.766095 BFGS: 6961 09:56:18 -2119.923979 0.764695 BFGS: 6962 09:56:18 -2119.465969 155.257673 BFGS: 6963 09:56:18 -2119.923225 0.818512 BFGS: 6964 09:56:18 -2119.922859 0.454520 BFGS: 6965 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-2119.861254 0.459550 BFGS: 7132 09:56:22 -2119.860885 0.570641 BFGS: 7133 09:56:22 -2119.860520 0.572166 BFGS: 7134 09:56:22 -2119.659848 99.628192 BFGS: 7135 09:56:22 -2119.859788 0.693944 BFGS: 7136 09:56:22 -2119.859429 0.443342 BFGS: 7137 09:56:22 -2119.859067 0.659968 BFGS: 7138 09:56:22 -2119.858700 0.458071 BFGS: 7139 09:56:22 -2119.858333 0.560348 BFGS: 7140 09:56:22 -2119.857970 0.506776 BFGS: 7141 09:56:22 -2119.857531 1.758310 BFGS: 7142 09:56:22 -2119.857240 0.566074 BFGS: 7143 09:56:22 -2119.856879 0.455034 BFGS: 7144 09:56:22 -2119.856515 0.757973 BFGS: 7145 09:56:22 -2119.856149 0.474709 BFGS: 7146 09:56:22 -2119.855785 0.505932 BFGS: 7147 09:56:22 -2119.855283 2.376050 BFGS: 7148 09:56:22 -2119.855055 0.577098 BFGS: 7149 09:56:22 -2119.854695 0.460441 BFGS: 7150 09:56:22 -2119.854333 0.716877 BFGS: 7151 09:56:22 -2119.853967 0.454759 BFGS: 7152 09:56:22 -2119.853602 0.523623 BFGS: 7153 09:56:22 -2119.853237 0.872075 BFGS: 7154 09:56:22 -2119.852876 0.493357 BFGS: 7155 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0.438534 BFGS: 9934 09:57:34 -2119.058495 0.464291 BFGS: 9935 09:57:34 -2119.058244 1.240609 BFGS: 9936 09:57:34 -2119.058041 0.464551 BFGS: 9937 09:57:34 -2119.057817 0.482848 BFGS: 9938 09:57:34 -2119.057591 0.780295 BFGS: 9939 09:57:34 -2119.057364 0.452977 BFGS: 9940 09:57:34 -2119.057138 0.451036 BFGS: 9941 09:57:34 -2119.050200 20.084509 BFGS: 9942 09:57:34 -2119.056685 0.517027 BFGS: 9943 09:57:34 -2119.056462 0.503752 BFGS: 9944 09:57:34 -2119.056237 0.643003 BFGS: 9945 09:57:34 -2119.056010 0.499731 BFGS: 9946 09:57:34 -2119.055782 0.487030 BFGS: 9947 09:57:34 -2119.055555 0.592485 BFGS: 9948 09:57:34 -2119.055334 0.554876 BFGS: 9949 09:57:34 -2119.055108 0.554496 BFGS: 9950 09:57:34 -2119.025790 42.658851 BFGS: 9951 09:57:34 -2119.054654 0.520600 BFGS: 9952 09:57:34 -2119.054431 0.498958 BFGS: 9953 09:57:34 -2119.054207 0.652808 BFGS: 9954 09:57:34 -2119.053980 0.493855 BFGS: 9955 09:57:34 -2119.053753 0.476173 BFGS: 9956 09:57:34 -2119.053527 0.503773 BFGS: 9957 09:57:34 -2119.053190 2.557306 BFGS: 9958 09:57:34 -2119.053077 0.480239 BFGS: 9959 09:57:34 -2119.052853 0.495876 BFGS: 9960 09:57:34 -2119.052629 0.698652 BFGS: 9961 09:57:34 -2119.052402 0.472843 BFGS: 9962 09:57:34 -2119.052176 0.441254 BFGS: 9963 09:57:35 -2119.051953 0.700960 BFGS: 9964 09:57:35 -2119.051727 0.481637 BFGS: 9965 09:57:35 -2119.051501 0.436933 BFGS: 9966 09:57:35 -2119.051278 0.617523 BFGS: 9967 09:57:35 -2119.051052 0.519912 BFGS: 9968 09:57:35 -2119.050825 0.461425 BFGS: 9969 09:57:35 -2119.050598 0.607963 BFGS: 9970 09:57:35 -2119.050374 0.532157 BFGS: 9971 09:57:35 -2119.050128 1.236814 BFGS: 9972 09:57:35 -2119.049926 0.447947 BFGS: 9973 09:57:35 -2119.049702 0.485607 BFGS: 9974 09:57:35 -2119.049476 0.817214 BFGS: 9975 09:57:35 -2119.049252 0.448891 BFGS: 9976 09:57:35 -2119.049027 0.458030 BFGS: 9977 09:57:35 -2119.048516 4.083545 BFGS: 9978 09:57:35 -2119.048577 0.495677 BFGS: 9979 09:57:35 -2119.048354 0.501903 BFGS: 9980 09:57:35 -2119.048131 0.668811 BFGS: 9981 09:57:35 -2119.047905 0.487076 BFGS: 9982 09:57:35 -2119.047679 0.461662 BFGS: 9983 09:57:35 -2119.047456 0.481807 BFGS: 9984 09:57:35 -2119.047230 0.811545 BFGS: 9985 09:57:35 -2119.047006 0.451080 BFGS: 9986 09:57:35 -2119.046782 0.457841 BFGS: 9987 09:57:35 -2119.046011 5.651896 BFGS: 9988 09:57:35 -2119.046332 0.500863 BFGS: 9989 09:57:35 -2119.046110 0.504623 BFGS: 9990 09:57:35 -2119.045886 0.658879 BFGS: 9991 09:57:35 -2119.045661 0.492937 BFGS: 9992 09:57:35 -2119.045435 0.470983 BFGS: 9993 09:57:35 -2119.045211 0.457121 BFGS: 9994 09:57:35 -2119.044291 6.391486 BFGS: 9995 09:57:35 -2119.044762 0.501214 BFGS: 9996 09:57:35 -2119.044540 0.505603 BFGS: 9997 09:57:35 -2119.044317 0.657107 BFGS: 9998 09:57:35 -2119.044092 0.494374 BFGS: 9999 09:57:35 -2119.043866 0.473005 BFGS: 10000 09:57:35 -2119.043642 0.476954 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.34761485213713667 eV/Angstrom Maximum stress component: 0.0030146104523854243 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 = [[7.55091042e-28 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [1.96638558e-29 1.26901022e-01 9.62851519e-01] [0.00000000e+00 8.73098978e-01 9.62851519e-01] [3.73098978e-01 5.00000000e-01 4.62851519e-01] [6.26901022e-01 5.00000000e-01 4.62851519e-01] [5.00000000e-01 6.26901022e-01 5.37148481e-01] [5.00000000e-01 3.73098978e-01 5.37148481e-01] [1.26901022e-01 1.07327310e-27 3.71484811e-02] [8.73098978e-01 0.00000000e+00 3.71484811e-02] [0.00000000e+00 2.50552935e-01 9.26568008e-01] [5.69917996e-28 7.49447065e-01 9.26568008e-01] [2.49447065e-01 5.00000000e-01 4.26568008e-01] [7.50552935e-01 5.00000000e-01 4.26568008e-01] [5.00000000e-01 7.50552935e-01 5.73431992e-01] [5.00000000e-01 2.49447065e-01 5.73431992e-01] [2.50552935e-01 2.68498653e-28 7.34319915e-02] [7.49447065e-01 0.00000000e+00 7.34319915e-02] [0.00000000e+00 4.29663694e-01 5.59198377e-01] [5.77367757e-29 5.70336306e-01 5.59198377e-01] [7.03363058e-02 5.00000000e-01 5.91983769e-02] [9.29663694e-01 5.00000000e-01 5.91983769e-02] [5.00000000e-01 9.29663694e-01 9.40801623e-01] [5.00000000e-01 7.03363058e-02 9.40801623e-01] [4.29663694e-01 0.00000000e+00 4.40801623e-01] [5.70336306e-01 0.00000000e+00 4.40801623e-01] [1.81280166e-29 4.29670826e-01 6.17041517e-01] [2.24404323e-29 5.70329174e-01 6.17041517e-01] [7.03291745e-02 5.00000000e-01 1.17041517e-01] [9.29670826e-01 5.00000000e-01 1.17041517e-01] [5.00000000e-01 9.29670826e-01 8.82958483e-01] [5.00000000e-01 7.03291745e-02 8.82958483e-01] [4.29670826e-01 0.00000000e+00 3.82958483e-01] [5.70329174e-01 0.00000000e+00 3.82958483e-01] [5.91622608e-29 4.29652994e-01 6.74897440e-01] [0.00000000e+00 5.70347006e-01 6.74897440e-01] [7.03470064e-02 5.00000000e-01 1.74897440e-01] [9.29652994e-01 5.00000000e-01 1.74897440e-01] [5.00000000e-01 9.29652994e-01 8.25102560e-01] [5.00000000e-01 7.03470064e-02 8.25102560e-01] [4.29652994e-01 1.40177830e-29 3.25102560e-01] [5.70347006e-01 0.00000000e+00 3.25102560e-01] [7.03221388e-02 4.29646854e-01 5.09110546e-01] [9.29677861e-01 5.70353146e-01 5.09110546e-01] [7.03531462e-02 5.70322139e-01 9.11054556e-03] [9.29646854e-01 4.29677861e-01 9.11054556e-03] [4.29677861e-01 9.29646854e-01 9.90889454e-01] [5.70322139e-01 7.03531462e-02 9.90889454e-01] [4.29646854e-01 7.03221388e-02 4.90889454e-01] [5.70353146e-01 9.29677861e-01 4.90889454e-01] [4.29677861e-01 7.03531462e-02 9.90889454e-01] [5.70322139e-01 9.29646854e-01 9.90889454e-01] [4.29646854e-01 9.29677861e-01 4.90889454e-01] [5.70353146e-01 7.03221388e-02 4.90889454e-01] [7.03221388e-02 5.70353146e-01 5.09110546e-01] [9.29677861e-01 4.29646854e-01 5.09110546e-01] [7.03531462e-02 4.29677861e-01 9.11054556e-03] [9.29646854e-01 5.70322139e-01 9.11054556e-03] [4.29658608e-01 7.03549933e-02 5.48783682e-01] [5.70341392e-01 9.29645007e-01 5.48783682e-01] [4.29645007e-01 9.29658608e-01 4.87836825e-02] [5.70354993e-01 7.03413923e-02 4.87836825e-02] [7.03413923e-02 5.70354993e-01 9.51216318e-01] [9.29658608e-01 4.29645007e-01 9.51216318e-01] [7.03549933e-02 4.29658608e-01 4.51216318e-01] [9.29645007e-01 5.70341392e-01 4.51216318e-01] [7.03413923e-02 4.29645007e-01 9.51216318e-01] [9.29658608e-01 5.70354993e-01 9.51216318e-01] [7.03549933e-02 5.70341392e-01 4.51216318e-01] [9.29645007e-01 4.29658608e-01 4.51216318e-01] [4.29658608e-01 9.29645007e-01 5.48783682e-01] [5.70341392e-01 7.03549933e-02 5.48783682e-01] [4.29645007e-01 7.03413923e-02 4.87836825e-02] [5.70354993e-01 9.29658608e-01 4.87836825e-02] [4.29594955e-01 1.43774007e-01 5.98138625e-01] [5.70405045e-01 8.56225993e-01 5.98138625e-01] [3.56225993e-01 9.29594955e-01 9.81386248e-02] [6.43774007e-01 7.04050450e-02 9.81386248e-02] [7.04050450e-02 6.43774007e-01 9.01861375e-01] [9.29594955e-01 3.56225993e-01 9.01861375e-01] [1.43774007e-01 4.29594955e-01 4.01861375e-01] [8.56225993e-01 5.70405045e-01 4.01861375e-01] [7.04050450e-02 3.56225993e-01 9.01861375e-01] [9.29594955e-01 6.43774007e-01 9.01861375e-01] [1.43774007e-01 5.70405045e-01 4.01861375e-01] [8.56225993e-01 4.29594955e-01 4.01861375e-01] [4.29594955e-01 8.56225993e-01 5.98138625e-01] [5.70405045e-01 1.43774007e-01 5.98138625e-01] [3.56225993e-01 7.04050450e-02 9.81386248e-02] [6.43774007e-01 9.29594955e-01 9.81386248e-02] [7.03607310e-02 4.29667195e-01 7.24979491e-01] [9.29639269e-01 5.70332805e-01 7.24979491e-01] [7.03328053e-02 5.70360731e-01 2.24979491e-01] [9.29667195e-01 4.29639269e-01 2.24979491e-01] [4.29639269e-01 9.29667195e-01 7.75020509e-01] [5.70360731e-01 7.03328053e-02 7.75020509e-01] [4.29667195e-01 7.03607310e-02 2.75020509e-01] [5.70332805e-01 9.29639269e-01 2.75020509e-01] [4.29639269e-01 7.03328053e-02 7.75020509e-01] [5.70360731e-01 9.29667195e-01 7.75020509e-01] [4.29667195e-01 9.29639269e-01 2.75020509e-01] [5.70332805e-01 7.03607310e-02 2.75020509e-01] [7.03607310e-02 5.70332805e-01 7.24979491e-01] [9.29639269e-01 4.29667195e-01 7.24979491e-01] [7.03328053e-02 4.29639269e-01 2.24979491e-01] [9.29667195e-01 5.70360731e-01 2.24979491e-01]] cellpar = Cell([[10.06917807824226, 9.091395966702059e-35, 1.3581020134803325e-37], [-8.75720955504678e-35, 10.069178078242258, 1.8382718237049966e-17], [4.4668100186477834e-36, 4.342950531724308e-17, 24.474025427250613]]) forces = [[-2.12220526e-61 2.44014518e-26 4.45483246e-44] [ 2.12220526e-61 -2.44014518e-26 -4.45483246e-44] [-4.06690864e-27 -3.29394195e-01 3.44378502e-01] [ 4.06690864e-27 3.29394195e-01 3.44378502e-01] [ 3.29394195e-01 6.11104527e-19 3.44378502e-01] [-3.29394195e-01 6.11104539e-19 3.44378502e-01] [ 2.80190286e-36 -3.29394195e-01 -3.44378502e-01] [-2.92760947e-36 3.29394195e-01 -3.44378502e-01] [-3.29394195e-01 -6.11104533e-19 -3.44378502e-01] [ 3.29394195e-01 -6.11104533e-19 -3.44378502e-01] [ 7.14886315e-29 -3.47614852e-01 2.34282498e-01] [-7.94318123e-29 3.47614852e-01 2.34282498e-01] [ 3.47614852e-01 4.15737616e-19 2.34282498e-01] [-3.47614852e-01 4.15737616e-19 2.34282498e-01] [ 2.98046260e-36 -3.47614852e-01 -2.34282498e-01] [-3.06598147e-36 3.47614852e-01 -2.34282498e-01] [-3.47614852e-01 -4.15737616e-19 -2.34282498e-01] [ 3.47614852e-01 -4.15737616e-19 -2.34282498e-01] [ 6.35454474e-29 1.21147093e-02 1.12657962e-01] [-9.53181711e-29 -1.21147093e-02 1.12657962e-01] [-1.21147093e-02 1.99913151e-19 1.12657962e-01] [ 1.21147093e-02 1.99913151e-19 1.12657962e-01] [-1.25923634e-37 1.21147093e-02 -1.12657962e-01] [ 8.48007122e-38 -1.21147093e-02 -1.12657962e-01] [ 1.21147093e-02 -1.99913151e-19 -1.12657962e-01] [-1.21147093e-02 -1.99913151e-19 -1.12657962e-01] [ 8.18794037e-37 -1.80860098e-02 6.61120482e-02] [-7.94661517e-37 1.80860098e-02 6.61120482e-02] [ 1.80860098e-02 1.17316767e-19 6.61120482e-02] [-1.80860098e-02 1.17316767e-19 6.61120482e-02] [ 1.45228582e-37 -1.80860098e-02 -6.61120482e-02] [-1.69361103e-37 1.80860098e-02 -6.61120482e-02] [-1.80860098e-02 -1.17316767e-19 -6.61120482e-02] [ 1.80860098e-02 -1.17316767e-19 -6.61120482e-02] [ 2.38295423e-29 5.72737185e-02 -1.52387812e-01] [-1.58863614e-29 -5.72737185e-02 -1.52387812e-01] [-5.72737185e-02 -2.70414335e-19 -1.52387812e-01] [ 5.72737185e-02 -2.70414335e-19 -1.52387812e-01] [-4.70299465e-37 5.72737185e-02 1.52387812e-01] [ 3.17727243e-29 -5.72737185e-02 1.52387812e-01] [ 5.72737185e-02 2.70414335e-19 1.52387812e-01] [-5.72737185e-02 2.70414335e-19 1.52387812e-01] [ 1.25906457e-01 8.32151361e-02 -2.40814390e-01] [-1.25906457e-01 -8.32151361e-02 -2.40814390e-01] [-8.32151361e-02 1.25906457e-01 -2.40814390e-01] [ 8.32151361e-02 -1.25906457e-01 -2.40814390e-01] [-1.25906457e-01 8.32151361e-02 2.40814390e-01] [ 1.25906457e-01 -8.32151361e-02 2.40814390e-01] [ 8.32151361e-02 1.25906457e-01 2.40814390e-01] [-8.32151361e-02 -1.25906457e-01 2.40814390e-01] [-1.25906457e-01 -8.32151361e-02 2.40814390e-01] [ 1.25906457e-01 8.32151361e-02 2.40814390e-01] [ 8.32151361e-02 -1.25906457e-01 2.40814390e-01] [-8.32151361e-02 1.25906457e-01 2.40814390e-01] [ 1.25906457e-01 -8.32151361e-02 -2.40814390e-01] [-1.25906457e-01 8.32151361e-02 -2.40814390e-01] [-8.32151361e-02 -1.25906457e-01 -2.40814390e-01] [ 8.32151361e-02 1.25906457e-01 -2.40814390e-01] [ 3.36073313e-02 -1.14823239e-01 -1.44724580e-01] [-3.36073313e-02 1.14823239e-01 -1.44724580e-01] [ 1.14823239e-01 3.36073313e-02 -1.44724580e-01] [-1.14823239e-01 -3.36073313e-02 -1.44724580e-01] [-3.36073313e-02 -1.14823239e-01 1.44724580e-01] [ 3.36073313e-02 1.14823239e-01 1.44724580e-01] [-1.14823239e-01 3.36073313e-02 1.44724580e-01] [ 1.14823239e-01 -3.36073313e-02 1.44724580e-01] [-3.36073313e-02 1.14823239e-01 1.44724580e-01] [ 3.36073313e-02 -1.14823239e-01 1.44724580e-01] [-1.14823239e-01 -3.36073313e-02 1.44724580e-01] [ 1.14823239e-01 3.36073313e-02 1.44724580e-01] [ 3.36073313e-02 1.14823239e-01 -1.44724580e-01] [-3.36073313e-02 -1.14823239e-01 -1.44724580e-01] [ 1.14823239e-01 -3.36073313e-02 -1.44724580e-01] [-1.14823239e-01 3.36073313e-02 -1.44724580e-01] [ 8.28258718e-02 -3.03822542e-01 2.25033637e-01] [-8.28258718e-02 3.03822542e-01 2.25033637e-01] [ 3.03822542e-01 8.28258718e-02 2.25033637e-01] [-3.03822542e-01 -8.28258718e-02 2.25033637e-01] [-8.28258718e-02 -3.03822542e-01 -2.25033637e-01] [ 8.28258718e-02 3.03822542e-01 -2.25033637e-01] [-3.03822542e-01 8.28258718e-02 -2.25033637e-01] [ 3.03822542e-01 -8.28258718e-02 -2.25033637e-01] [-8.28258718e-02 3.03822542e-01 -2.25033637e-01] [ 8.28258718e-02 -3.03822542e-01 -2.25033637e-01] [-3.03822542e-01 -8.28258718e-02 -2.25033637e-01] [ 3.03822542e-01 8.28258718e-02 -2.25033637e-01] [ 8.28258718e-02 3.03822542e-01 2.25033637e-01] [-8.28258718e-02 -3.03822542e-01 2.25033637e-01] [ 3.03822542e-01 -8.28258718e-02 2.25033637e-01] [-3.03822542e-01 8.28258718e-02 2.25033637e-01] [-4.48157086e-02 -2.71522954e-03 1.21760641e-01] [ 4.48157086e-02 2.71522954e-03 1.21760641e-01] [ 2.71522954e-03 -4.48157086e-02 1.21760641e-01] [-2.71522954e-03 4.48157086e-02 1.21760641e-01] [ 4.48157086e-02 -2.71522954e-03 -1.21760641e-01] [-4.48157086e-02 2.71522954e-03 -1.21760641e-01] [-2.71522954e-03 -4.48157086e-02 -1.21760641e-01] [ 2.71522954e-03 4.48157086e-02 -1.21760641e-01] [ 4.48157086e-02 2.71522954e-03 -1.21760641e-01] [-4.48157086e-02 -2.71522954e-03 -1.21760641e-01] [-2.71522954e-03 4.48157086e-02 -1.21760641e-01] [ 2.71522954e-03 -4.48157086e-02 -1.21760641e-01] [-4.48157086e-02 2.71522954e-03 1.21760641e-01] [ 4.48157086e-02 -2.71522954e-03 1.21760641e-01] [ 2.71522954e-03 4.48157086e-02 1.21760641e-01] [-2.71522954e-03 -4.48157086e-02 1.21760641e-01]] stress = [-1.22166636e-03 -1.22166636e-03 -3.01461045e-03 8.13491118e-19 -3.02750002e-39 -7.08013389e-55] energy per atom = -19.990977757248952 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0