element(s): ['C'] AFLOW prototype label: A_oI120_71_lmn6o Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'x2', 'z2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.9765', '0.53839131', '0.53253026', '0.087794084', '0.41181715', '0.79695569', '0.077206239', '0.95291847', '0.41287669', '0.84820465', '0.25285259', '0.080318454', '0.91460436', '0.33504004', '0.12991053', '0.82302819', '0.12822295', '0.15791096', '0.95658327', '0.28466999', '0.25169645', '0.86554334', '0.080688437', '0.28688349', '0.93091231', '0.15926312', '0.33373657'] model name: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_C__MO_454320668790_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0.58818285 0.08779408] [0.79695569 0.92279376 0. ] [0.95291847 0. 0.41287669] [0.34820465 0.41968155 0.75285259] [0.41460436 0.37008947 0.83504004] [0.32302819 0.34208904 0.62822295] [0.45658327 0.24830355 0.78466999] [0.36554334 0.21311651 0.58068844] [0.43091231 0.16626343 0.65926312]] spacegroup = 71 cell = [[16.9765, 0, 0], [0, 9.0405, 0], [0, 0, 9.14]] ========================================= Step Time Energy fmax BFGS: 0 16:56:49 46.402082 15.3111 BFGS: 1 16:56:49 -313.937487 17.2340 BFGS: 2 16:56:49 -586.827784 8.4745 BFGS: 3 16:56:49 -717.554378 6.3240 BFGS: 4 16:56:49 -797.709866 10.3349 BFGS: 5 16:56:49 -545.659476 10.3154 BFGS: 6 16:56:50 -662.094013 8.2127 BFGS: 7 16:56:50 -640.751397 13.0354 BFGS: 8 16:56:50 -744.375071 10.9357 BFGS: 9 16:56:50 -750.099881 11.2245 BFGS: 10 16:56:50 -817.896079 16.0807 BFGS: 11 16:56:50 -852.628180 16.3989 BFGS: 12 16:56:51 -786.969199 10.5674 BFGS: 13 16:56:51 -853.592541 9.5165 BFGS: 14 16:56:51 -809.778759 11.7106 BFGS: 15 16:56:51 -743.490244 15.7245 BFGS: 16 16:56:51 -831.401154 7.8245 BFGS: 17 16:56:51 -704.272709 11.1702 BFGS: 18 16:56:51 -751.963243 15.2162 BFGS: 19 16:56:51 -716.504231 12.5908 BFGS: 20 16:56:51 -785.742732 7.3368 BFGS: 21 16:56:51 -795.426331 12.5471 BFGS: 22 16:56:51 -817.031803 30.5769 BFGS: 23 16:56:52 -841.234208 41.5975 BFGS: 24 16:56:52 -861.042644 42.7948 BFGS: 25 16:56:52 -822.100678 35.5775 BFGS: 26 16:56:52 -833.940862 29.7532 BFGS: 27 16:56:52 -890.040362 46.0027 BFGS: 28 16:56:52 -839.625935 41.0895 BFGS: 29 16:56:52 -889.932141 23.9020 BFGS: 30 16:56:52 -837.223158 16.6849 BFGS: 31 16:56:52 -844.979663 14.2194 BFGS: 32 16:56:52 -858.065191 18.0205 BFGS: 33 16:56:53 -883.724820 18.3847 BFGS: 34 16:56:53 -876.661862 17.6642 BFGS: 35 16:56:53 -863.674714 18.6573 BFGS: 36 16:56:53 -883.621437 15.1238 BFGS: 37 16:56:53 -870.895245 13.9926 BFGS: 38 16:56:53 -887.531900 13.3175 BFGS: 39 16:56:53 -946.836992 7.7300 BFGS: 40 16:56:53 -903.767761 12.5059 BFGS: 41 16:56:54 -913.742376 14.4929 BFGS: 42 16:56:54 -818.080808 17.7686 BFGS: 43 16:56:54 -823.209525 21.6896 BFGS: 44 16:56:54 -828.344946 24.5004 BFGS: 45 16:56:54 -781.250727 26.5538 BFGS: 46 16:56:54 -787.708478 26.5317 BFGS: 47 16:56:54 -723.639721 26.4338 BFGS: 48 16:56:55 -781.779890 26.2236 BFGS: 49 16:56:55 -786.637902 26.2119 BFGS: 50 16:56:55 -791.205257 25.9756 BFGS: 51 16:56:55 -795.518782 25.6923 BFGS: 52 16:56:55 -799.597982 25.4545 BFGS: 53 16:56:56 -803.445833 25.3009 BFGS: 54 16:56:56 -807.060780 25.2397 BFGS: 55 16:56:56 -724.335533 67.7602 BFGS: 56 16:56:57 -727.869553 66.6927 BFGS: 57 16:56:57 -731.096779 65.7798 BFGS: 58 16:56:58 -734.071877 64.9822 BFGS: 59 16:56:58 -797.644441 64.2696 BFGS: 60 16:56:58 -800.953549 63.3786 BFGS: 61 16:56:58 -803.874954 62.6017 BFGS: 62 16:56:59 -806.551417 61.8741 BFGS: 63 16:56:59 -809.066695 61.1697 BFGS: 64 16:56:59 -811.473219 60.4790 BFGS: 65 16:57:00 -738.719053 59.8002 BFGS: 66 16:57:00 -740.904988 58.9910 BFGS: 67 16:57:00 -757.250083 58.2008 BFGS: 68 16:57:00 -759.212168 57.5302 BFGS: 69 16:57:00 -761.122421 56.9016 BFGS: 70 16:57:00 -762.993022 56.3018 BFGS: 71 16:57:01 -764.983102 55.6613 BFGS: 72 16:57:01 -767.597079 54.7320 BFGS: 73 16:57:01 -770.315100 53.8119 BFGS: 74 16:57:01 -773.837485 52.6182 BFGS: 75 16:57:01 -766.864416 51.1736 BFGS: 76 16:57:01 -770.432221 49.9812 BFGS: 77 16:57:02 -770.119865 52.7080 BFGS: 78 16:57:02 -776.260927 51.3434 BFGS: 79 16:57:02 -780.163427 50.3551 BFGS: 80 16:57:02 -787.821977 47.9785 BFGS: 81 16:57:02 -792.403512 46.8169 BFGS: 82 16:57:03 -795.791316 46.1541 BFGS: 83 16:57:03 -798.867621 45.6801 BFGS: 84 16:57:03 -801.913043 45.3135 BFGS: 85 16:57:03 -804.962828 45.0261 BFGS: 86 16:57:03 -884.759961 19.4545 BFGS: 87 16:57:03 -888.052911 21.8084 BFGS: 88 16:57:03 -891.543851 24.2295 BFGS: 89 16:57:03 -871.718636 26.6109 BFGS: 90 16:57:04 -874.774212 28.6563 BFGS: 91 16:57:04 -877.804962 30.5963 BFGS: 92 16:57:04 -880.789171 32.4340 BFGS: 93 16:57:04 -883.743619 34.1863 BFGS: 94 16:57:04 -886.712850 35.8793 BFGS: 95 16:57:04 -889.744157 37.5355 BFGS: 96 16:57:04 -892.892764 39.1763 BFGS: 97 16:57:04 -896.233713 40.8260 BFGS: 98 16:57:04 -899.886388 42.5196 BFGS: 99 16:57:04 -904.085263 44.3223 BFGS: 100 16:57:04 -870.293939 42.2270 BFGS: 101 16:57:04 -955.367009 45.3710 BFGS: 102 16:57:04 -959.226505 46.5302 BFGS: 103 16:57:04 -1014.260977 47.8217 BFGS: 104 16:57:05 -944.663246 50.2829 BFGS: 105 16:57:05 -957.362981 51.6994 BFGS: 106 16:57:05 -878.916764 38.2488 BFGS: 107 16:57:05 -892.197985 34.8009 BFGS: 108 16:57:05 -930.616364 39.1441 BFGS: 109 16:57:05 -947.043634 44.5561 BFGS: 110 16:57:05 -956.582558 52.1751 BFGS: 111 16:57:05 -980.383876 54.4218 BFGS: 112 16:57:05 -947.270107 54.7446 BFGS: 113 16:57:05 -961.539033 54.6321 BFGS: 114 16:57:05 -981.333442 52.0389 BFGS: 115 16:57:05 -1002.436798 48.3228 BFGS: 116 16:57:05 -1096.988324 46.1239 BFGS: 117 16:57:05 -1121.034634 45.8377 BFGS: 118 16:57:05 -1145.254408 45.1633 BFGS: 119 16:57:05 -1168.345884 44.0256 BFGS: 120 16:57:05 -1139.018229 35.8471 BFGS: 121 16:57:06 -1166.736944 34.5030 BFGS: 122 16:57:06 -1182.802506 32.4363 BFGS: 123 16:57:06 -1281.148264 30.1231 BFGS: 124 16:57:06 -1292.745013 28.0058 BFGS: 125 16:57:06 -1276.120129 26.0563 BFGS: 126 16:57:06 -1318.748827 25.1392 BFGS: 127 16:57:06 -1326.792844 22.4893 BFGS: 128 16:57:06 -1252.328351 34.1265 BFGS: 129 16:57:06 -1258.360865 33.7923 BFGS: 130 16:57:06 -1356.218363 31.2079 BFGS: 131 16:57:06 -1362.712001 30.7081 BFGS: 132 16:57:06 -1368.341304 30.0433 BFGS: 133 16:57:06 -1373.406852 29.2837 BFGS: 134 16:57:06 -1378.071931 28.4725 BFGS: 135 16:57:06 -1382.432550 27.6358 BFGS: 136 16:57:06 -1386.546924 26.7895 BFGS: 137 16:57:06 -1390.452408 25.9432 BFGS: 138 16:57:06 -1394.174948 25.1025 BFGS: 139 16:57:06 -1397.734290 24.2701 BFGS: 140 16:57:07 -1401.146825 23.4471 BFGS: 141 16:57:07 -1404.427090 22.6334 BFGS: 142 16:57:07 -1407.588486 21.8279 BFGS: 143 16:57:07 -1410.643565 21.0291 BFGS: 144 16:57:07 -1408.036552 20.2349 BFGS: 145 16:57:07 -1411.231039 19.2952 BFGS: 146 16:57:07 -1303.720256 27.1783 BFGS: 147 16:57:07 -1306.672828 26.9557 BFGS: 148 16:57:07 -1309.696325 26.6778 BFGS: 149 16:57:07 -1312.754579 26.3498 BFGS: 150 16:57:07 -1303.506481 25.9760 BFGS: 151 16:57:07 -1306.623515 25.4374 BFGS: 152 16:57:07 -1309.672654 24.8844 BFGS: 153 16:57:07 -1312.652582 24.3182 BFGS: 154 16:57:07 -1265.797748 23.7395 BFGS: 155 16:57:07 -1234.103258 31.7206 BFGS: 156 16:57:08 -1237.694296 30.5997 BFGS: 157 16:57:08 -1246.194645 29.4582 BFGS: 158 16:57:08 -1305.654480 18.1188 BFGS: 159 16:57:08 -1308.191798 17.2677 BFGS: 160 16:57:08 -1310.624098 16.4842 BFGS: 161 16:57:08 -1312.870336 15.8449 BFGS: 162 16:57:08 -1314.898478 15.3911 BFGS: 163 16:57:08 -1316.713186 15.1228 BFGS: 164 16:57:08 -1318.340460 15.0065 BFGS: 165 16:57:08 -1319.815297 14.9921 BFGS: 166 16:57:08 -1321.173982 15.0290 BFGS: 167 16:57:08 -1322.449766 15.0764 BFGS: 168 16:57:08 -1323.670126 15.1070 BFGS: 169 16:57:08 -1324.855219 15.1057 BFGS: 170 16:57:08 -1326.018029 15.0657 BFGS: 171 16:57:08 -1327.166050 14.9859 BFGS: 172 16:57:08 -1328.303456 14.8676 BFGS: 173 16:57:09 -1329.432838 14.7133 BFGS: 174 16:57:09 -1330.556259 14.5259 BFGS: 175 16:57:09 -1331.675782 14.3082 BFGS: 176 16:57:09 -1332.793706 14.0627 BFGS: 177 16:57:09 -1333.912683 13.7915 BFGS: 178 16:57:09 -1335.004444 13.5046 BFGS: 179 16:57:09 -1336.060961 13.2080 BFGS: 180 16:57:09 -1337.091538 12.9029 BFGS: 181 16:57:09 -1338.104559 12.5903 BFGS: 182 16:57:09 -1339.107718 12.2715 BFGS: 183 16:57:09 -1340.108021 11.9475 BFGS: 184 16:57:09 -1341.111544 11.6203 BFGS: 185 16:57:09 -1342.123005 11.2920 BFGS: 186 16:57:09 -1343.145270 10.9657 BFGS: 187 16:57:09 -1344.179010 10.6447 BFGS: 188 16:57:09 -1345.222666 10.3326 BFGS: 189 16:57:09 -1346.272766 10.0323 BFGS: 190 16:57:09 -1347.324501 9.7466 BFGS: 191 16:57:09 -1348.372438 9.4768 BFGS: 192 16:57:09 -1398.839856 11.8384 BFGS: 193 16:57:09 -1399.889303 11.4808 BFGS: 194 16:57:09 -1400.890691 11.1407 BFGS: 195 16:57:10 -1401.836411 10.8212 BFGS: 196 16:57:10 -1402.736169 10.5192 BFGS: 197 16:57:10 -1403.597139 10.2324 BFGS: 198 16:57:10 -1425.027054 17.0210 BFGS: 199 16:57:10 -1425.875258 16.6493 BFGS: 200 16:57:10 -1426.688968 16.2916 BFGS: 201 16:57:10 -1427.471062 15.9464 BFGS: 202 16:57:10 -1379.326979 10.1420 BFGS: 203 16:57:10 -1380.169008 10.0362 BFGS: 204 16:57:10 -1380.977226 9.9334 BFGS: 205 16:57:10 -1381.751974 10.1325 BFGS: 206 16:57:10 -1382.494778 10.3968 BFGS: 207 16:57:10 -1383.207857 10.6567 BFGS: 208 16:57:10 -1383.893771 10.9112 BFGS: 209 16:57:10 -1384.555167 11.1596 BFGS: 210 16:57:10 -1385.194634 11.4014 BFGS: 211 16:57:10 -1385.814612 11.6362 BFGS: 212 16:57:11 -1386.417347 11.8638 BFGS: 213 16:57:11 -1400.381916 12.0841 BFGS: 214 16:57:11 -1400.939223 12.2983 BFGS: 215 16:57:11 -1401.488451 12.5047 BFGS: 216 16:57:11 -1402.030656 12.7036 BFGS: 217 16:57:11 -1402.566796 12.8949 BFGS: 218 16:57:11 -1403.097711 13.0788 BFGS: 219 16:57:11 -1403.624120 13.2556 BFGS: 220 16:57:11 -1404.146623 13.4253 BFGS: 221 16:57:11 -1404.665700 13.5883 BFGS: 222 16:57:11 -1440.023681 13.7446 BFGS: 223 16:57:11 -1440.553595 13.8951 BFGS: 224 16:57:11 -1441.087529 14.0393 BFGS: 225 16:57:11 -1441.622959 14.1781 BFGS: 226 16:57:11 -1399.153789 14.3125 BFGS: 227 16:57:11 -1399.657757 14.4482 BFGS: 228 16:57:12 -1400.173909 14.5763 BFGS: 229 16:57:12 -1400.699151 14.6982 BFGS: 230 16:57:12 -1401.227236 14.8140 BFGS: 231 16:57:12 -1401.736254 14.9209 BFGS: 232 16:57:12 -1428.561064 15.0209 BFGS: 233 16:57:12 -1429.027957 15.1076 BFGS: 234 16:57:12 -1429.488239 15.1929 BFGS: 235 16:57:12 -1429.942383 15.2776 BFGS: 236 16:57:12 -1430.390816 15.3626 BFGS: 237 16:57:12 -1430.833935 15.4485 BFGS: 238 16:57:12 -1431.272120 15.5360 BFGS: 239 16:57:12 -1431.705732 15.6258 BFGS: 240 16:57:12 -1432.135121 15.7182 BFGS: 241 16:57:12 -1432.560626 15.8138 BFGS: 242 16:57:12 -1432.982571 15.9131 BFGS: 243 16:57:12 -1433.401268 16.0163 BFGS: 244 16:57:12 -1433.817012 16.1239 BFGS: 245 16:57:12 -1434.230083 16.2360 BFGS: 246 16:57:12 -1434.640744 16.3530 BFGS: 247 16:57:12 -1435.049241 16.4751 BFGS: 248 16:57:12 -1435.455803 16.6025 BFGS: 249 16:57:13 -1435.860644 16.7353 BFGS: 250 16:57:13 -1436.263961 16.8737 BFGS: 251 16:57:13 -1436.665936 17.0178 BFGS: 252 16:57:13 -1437.066740 17.1678 BFGS: 253 16:57:13 -1437.466529 17.3236 BFGS: 254 16:57:13 -1437.865446 17.4853 BFGS: 255 16:57:13 -1438.263622 17.6530 BFGS: 256 16:57:13 -1438.661175 17.8266 BFGS: 257 16:57:13 -1439.055381 18.0048 BFGS: 258 16:57:13 -1439.435988 18.1823 BFGS: 259 16:57:13 -1439.804349 18.3591 BFGS: 260 16:57:13 -1440.161703 18.5350 BFGS: 261 16:57:13 -1440.509179 18.7098 BFGS: 262 16:57:13 -1440.847810 18.8835 BFGS: 263 16:57:13 -1441.178544 19.0558 BFGS: 264 16:57:13 -1441.502249 19.2266 BFGS: 265 16:57:14 -1441.819726 19.3957 BFGS: 266 16:57:14 -1442.131713 19.5629 BFGS: 267 16:57:14 -1442.438889 19.7279 BFGS: 268 16:57:14 -1442.741884 19.8906 BFGS: 269 16:57:14 -1443.041275 20.0504 BFGS: 270 16:57:14 -1443.337589 20.2071 BFGS: 271 16:57:14 -1443.631298 20.3602 BFGS: 272 16:57:14 -1443.922807 20.5090 BFGS: 273 16:57:14 -1444.212434 20.6528 BFGS: 274 16:57:14 -1444.500381 20.7910 BFGS: 275 16:57:14 -1444.786703 20.9228 BFGS: 276 16:57:14 -1445.071304 21.0479 BFGS: 277 16:57:14 -1445.354125 21.1675 BFGS: 278 16:57:14 -1445.635750 21.2851 BFGS: 279 16:57:14 -1445.918376 21.4078 BFGS: 280 16:57:14 -1446.205643 21.5424 BFGS: 281 16:57:14 -1485.830780 21.6924 BFGS: 282 16:57:14 -1486.133501 21.9364 BFGS: 283 16:57:15 -1486.439319 22.1781 BFGS: 284 16:57:15 -1486.748071 22.4197 BFGS: 285 16:57:15 -1487.059226 22.6634 BFGS: 286 16:57:15 -1527.726282 22.9113 BFGS: 287 16:57:15 -1500.067804 23.1640 BFGS: 288 16:57:15 -1500.356652 23.4408 BFGS: 289 16:57:15 -1500.635709 23.7169 BFGS: 290 16:57:15 -1599.425174 23.9921 BFGS: 291 16:57:15 -1599.700837 24.1530 BFGS: 292 16:57:15 -1564.222075 24.3140 BFGS: 293 16:57:15 -1564.509275 24.4481 BFGS: 294 16:57:15 -1564.783104 24.5837 BFGS: 295 16:57:15 -1565.046264 24.7188 BFGS: 296 16:57:16 -1565.300915 24.8519 BFGS: 297 16:57:16 -1562.217670 24.9817 BFGS: 298 16:57:16 -1562.571736 25.0785 BFGS: 299 16:57:16 -1562.915087 25.1801 BFGS: 300 16:57:16 -1563.248584 25.2845 BFGS: 301 16:57:16 -1563.573167 25.3898 BFGS: 302 16:57:16 -1563.889886 25.4940 BFGS: 303 16:57:16 -1564.199916 25.5950 BFGS: 304 16:57:16 -1564.504549 25.6908 BFGS: 305 16:57:16 -1564.805170 25.7794 BFGS: 306 16:57:16 -1565.103214 25.8589 BFGS: 307 16:57:17 -1565.400135 25.9276 BFGS: 308 16:57:17 -1565.697365 25.9838 BFGS: 309 16:57:17 -1565.996297 26.0260 BFGS: 310 16:57:17 -1566.298282 26.0527 BFGS: 311 16:57:17 -1566.604637 26.0628 BFGS: 312 16:57:17 -1566.916657 26.0549 BFGS: 313 16:57:17 -1567.235640 26.0277 BFGS: 314 16:57:18 -1559.723516 31.8916 BFGS: 315 16:57:18 -1560.067980 31.7657 BFGS: 316 16:57:18 -1560.424130 31.6128 BFGS: 317 16:57:18 -1560.793115 31.4316 BFGS: 318 16:57:18 -1561.176257 31.2205 BFGS: 319 16:57:18 -1561.575047 30.9775 BFGS: 320 16:57:18 -1561.991159 30.7003 BFGS: 321 16:57:18 -1562.426465 30.3864 BFGS: 322 16:57:19 -1562.883070 30.0329 BFGS: 323 16:57:19 -1563.363352 29.6363 BFGS: 324 16:57:19 -1536.244019 41.6487 BFGS: 325 16:57:19 -1537.141319 40.4707 BFGS: 326 16:57:19 -1538.032673 39.1348 BFGS: 327 16:57:19 -1538.902297 37.6154 BFGS: 328 16:57:19 -1539.699982 35.9812 BFGS: 329 16:57:19 -1540.457137 34.1805 BFGS: 330 16:57:19 -1541.222556 32.0902 BFGS: 331 16:57:20 -1606.211657 29.3859 BFGS: 332 16:57:20 -1483.856938 34.5651 BFGS: 333 16:57:20 -1607.654102 26.5917 BFGS: 334 16:57:20 -1608.103189 26.0787 BFGS: 335 16:57:20 -1608.573612 25.6210 BFGS: 336 16:57:20 -1609.059296 25.1582 BFGS: 337 16:57:20 -1609.556237 24.6228 BFGS: 338 16:57:20 -1487.098494 33.9272 BFGS: 339 16:57:21 -1487.610714 33.7475 BFGS: 340 16:57:21 -1488.312428 33.4457 BFGS: 341 16:57:21 -1489.010718 33.1641 BFGS: 342 16:57:21 -1502.791399 32.9552 BFGS: 343 16:57:21 -1504.311746 32.5660 BFGS: 344 16:57:21 -1475.646077 32.0216 BFGS: 345 16:57:21 -1558.423751 14.9012 BFGS: 346 16:57:22 -1559.232819 15.8915 BFGS: 347 16:57:22 -1560.654820 18.1128 BFGS: 348 16:57:22 -1561.129370 17.7133 BFGS: 349 16:57:22 -1561.741269 16.8642 BFGS: 350 16:57:22 -1562.275896 15.9259 BFGS: 351 16:57:22 -1629.454827 14.9204 BFGS: 352 16:57:22 -1629.849038 13.7607 BFGS: 353 16:57:22 -1630.191481 12.5761 BFGS: 354 16:57:22 -1630.498501 11.3451 BFGS: 355 16:57:22 -1630.782513 10.0578 BFGS: 356 16:57:23 -1631.052141 8.7159 BFGS: 357 16:57:23 -1631.310376 7.3316 BFGS: 358 16:57:23 -1631.554174 5.9283 BFGS: 359 16:57:23 -1631.776842 4.5444 BFGS: 360 16:57:23 -1631.974503 3.3707 BFGS: 361 16:57:23 -1632.158982 2.8053 BFGS: 362 16:57:23 -1632.372885 2.5200 BFGS: 363 16:57:23 -1632.707687 2.7354 BFGS: 364 16:57:23 -1633.248639 2.9578 BFGS: 365 16:57:23 -1633.761431 2.8969 BFGS: 366 16:57:24 -1634.167101 3.5722 BFGS: 367 16:57:24 -1634.475984 4.0503 BFGS: 368 16:57:24 -1634.681412 4.3581 BFGS: 369 16:57:24 -1634.849237 4.6360 BFGS: 370 16:57:24 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5.3340 BFGS: 723 16:57:47 -1622.552158 4.6403 BFGS: 724 16:57:47 -1638.470423 4.5583 BFGS: 725 16:57:47 -1597.107632 8.5799 BFGS: 726 16:57:47 -1597.149088 8.6404 BFGS: 727 16:57:47 -1612.867928 8.6615 BFGS: 728 16:57:48 -1597.252386 8.4047 BFGS: 729 16:57:48 -1597.277860 8.2629 BFGS: 730 16:57:48 -1597.387359 7.1504 BFGS: 731 16:57:48 -1597.424872 6.7712 BFGS: 732 16:57:48 -1473.874663 22.5220 BFGS: 733 16:57:48 -1473.829088 21.9681 BFGS: 734 16:57:48 -1474.447947 21.7382 BFGS: 735 16:57:48 -1597.586568 6.7879 BFGS: 736 16:57:48 -1597.633764 6.1466 BFGS: 737 16:57:48 -1597.675278 5.3987 BFGS: 738 16:57:48 -1597.703902 5.0996 BFGS: 739 16:57:48 -1597.758815 4.7096 BFGS: 740 16:57:48 -1597.794556 4.6737 BFGS: 741 16:57:48 -1597.837621 4.6681 BFGS: 742 16:57:48 -1623.069031 8.3231 BFGS: 743 16:57:49 -1623.128833 7.8831 BFGS: 744 16:57:49 -1597.856114 5.3962 BFGS: 745 16:57:49 -1597.879975 5.0794 BFGS: 746 16:57:49 -1597.907798 4.4655 BFGS: 747 16:57:49 -1597.923223 4.0358 BFGS: 748 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-1598.034739 3.6684 BFGS: 825 16:57:53 -1485.262177 21.2822 BFGS: 826 16:57:53 -1598.049844 3.4348 BFGS: 827 16:57:54 -1623.127806 9.4955 BFGS: 828 16:57:54 -1598.054237 3.4058 BFGS: 829 16:57:54 -1623.150708 9.3528 BFGS: 830 16:57:54 -1623.157156 9.3037 BFGS: 831 16:57:54 -1607.766856 8.4176 BFGS: 832 16:57:54 -1607.817781 8.2189 BFGS: 833 16:57:54 -1582.622627 6.6512 BFGS: 834 16:57:54 -1582.694611 6.6269 BFGS: 835 16:57:54 -1459.829194 21.7248 BFGS: 836 16:57:54 -1476.600113 20.0529 BFGS: 837 16:57:55 -1619.502859 12.4491 BFGS: 838 16:57:55 -1621.669245 10.7080 BFGS: 839 16:57:55 -1474.048240 22.9947 BFGS: 840 16:57:55 -1622.545750 9.6935 BFGS: 841 16:57:55 -1622.903996 9.2365 BFGS: 842 16:57:55 -1473.382093 23.5118 BFGS: 843 16:57:55 -1597.959273 3.8761 BFGS: 844 16:57:55 -1598.006869 4.0122 BFGS: 845 16:57:55 -1582.799677 5.7556 BFGS: 846 16:57:55 -1370.219306 48.5102 BFGS: 847 16:57:55 -1582.884930 5.1029 BFGS: 848 16:57:55 -1458.641957 23.2289 BFGS: 849 16:57:56 -1459.041105 22.7815 BFGS: 850 16:57:56 -1599.633559 12.2854 BFGS: 851 16:57:56 -1596.794876 6.0191 BFGS: 852 16:57:56 -1598.067037 5.7652 BFGS: 853 16:57:56 -1598.110644 5.1109 BFGS: 854 16:57:56 -1582.844703 5.4427 BFGS: 855 16:57:56 -1458.214518 23.1474 BFGS: 856 16:57:56 -1459.873953 21.8848 BFGS: 857 16:57:56 -1622.615474 7.2852 BFGS: 858 16:57:56 -1597.855444 4.7582 BFGS: 859 16:57:56 -1476.099562 20.8947 BFGS: 860 16:57:56 -1597.959224 4.4600 BFGS: 861 16:57:56 -1597.998246 4.4038 BFGS: 862 16:57:56 -1598.064908 4.3799 BFGS: 863 16:57:57 -1598.071911 4.4699 BFGS: 864 16:57:57 -1598.114268 4.9589 BFGS: 865 16:57:57 -1582.855891 5.4266 BFGS: 866 16:57:57 -1458.016222 23.8020 BFGS: 867 16:57:57 -1582.889349 5.3970 BFGS: 868 16:57:57 -1459.834241 22.0145 BFGS: 869 16:57:57 -1459.915220 22.0017 BFGS: 870 16:57:57 -1460.222710 21.7964 BFGS: 871 16:57:57 -1461.117908 20.7318 BFGS: 872 16:57:57 -1477.668974 18.1920 BFGS: 873 16:57:57 -1480.466642 12.9778 BFGS: 874 16:57:57 -1572.510055 11.0188 BFGS: 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-1595.248389 8.4546 BFGS: 977 16:58:03 -1621.654991 12.1952 BFGS: 978 16:58:03 -1607.916740 9.0820 BFGS: 979 16:58:03 -1582.720984 7.2912 BFGS: 980 16:58:03 -1582.961828 5.5236 BFGS: 981 16:58:03 -1608.072593 9.6206 BFGS: 982 16:58:03 -1583.050589 4.5823 BFGS: 983 16:58:03 -1583.073796 4.2154 BFGS: 984 16:58:03 -1608.114919 9.5695 BFGS: 985 16:58:03 -1583.085900 4.0315 BFGS: 986 16:58:03 -1608.235277 8.9984 BFGS: 987 16:58:03 -1608.252990 8.9177 BFGS: 988 16:58:03 -1472.701091 23.8888 BFGS: 989 16:58:03 -1475.598259 20.2424 BFGS: 990 16:58:04 -1621.529666 9.6381 BFGS: 991 16:58:04 -1597.357065 5.5526 BFGS: 992 16:58:04 -1606.811186 10.6045 BFGS: 993 16:58:04 -1608.154443 9.0580 BFGS: 994 16:58:04 -1582.977546 5.2337 BFGS: 995 16:58:04 -1583.047714 4.8498 BFGS: 996 16:58:04 -1583.083576 4.1906 BFGS: 997 16:58:04 -1608.154892 9.2705 BFGS: 998 16:58:04 -1608.263802 8.8391 BFGS: 999 16:58:04 -1473.809044 22.7819 BFGS: 1000 16:58:04 -1475.778634 19.3615 BFGS: 1001 16:58:04 -1595.238659 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3.9523 BFGS: 1326 16:58:25 -1583.184467 3.9424 BFGS: 1327 16:58:25 -1607.713321 11.5925 BFGS: 1328 16:58:25 -1608.244761 9.2826 BFGS: 1329 16:58:25 -1581.711616 14.0051 BFGS: 1330 16:58:25 -1582.873317 7.3125 BFGS: 1331 16:58:25 -1607.854846 11.1594 BFGS: 1332 16:58:25 -1583.109148 5.0112 BFGS: 1333 16:58:25 -1583.183704 3.9577 BFGS: 1334 16:58:25 -1607.806444 11.4068 BFGS: 1335 16:58:25 -1608.247133 9.4205 BFGS: 1336 16:58:25 -1581.822286 13.7106 BFGS: 1337 16:58:25 -1582.882968 7.3288 BFGS: 1338 16:58:25 -1607.890476 11.1003 BFGS: 1339 16:58:25 -1583.109340 5.0217 BFGS: 1340 16:58:26 -1583.179650 3.9954 BFGS: 1341 16:58:26 -1607.830078 11.3961 BFGS: 1342 16:58:26 -1608.263189 9.4061 BFGS: 1343 16:58:26 -1581.831127 13.8131 BFGS: 1344 16:58:26 -1582.879751 7.3925 BFGS: 1345 16:58:26 -1607.906355 11.0983 BFGS: 1346 16:58:26 -1583.105587 5.0598 BFGS: 1347 16:58:26 -1583.175688 4.0259 BFGS: 1348 16:58:26 -1607.841156 11.4043 BFGS: 1349 16:58:26 -1608.276366 9.3908 BFGS: 1350 16:58:26 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BFGS: 1400 16:58:30 -1583.167010 4.0278 BFGS: 1401 16:58:30 -1607.781871 11.6820 BFGS: 1402 16:58:30 -1583.205329 3.3306 BFGS: 1403 16:58:30 -1608.214215 9.8398 BFGS: 1404 16:58:30 -1608.281424 9.5194 BFGS: 1405 16:58:30 -1581.689096 14.8128 BFGS: 1406 16:58:30 -1582.826491 7.8478 BFGS: 1407 16:58:30 -1607.885446 11.2838 BFGS: 1408 16:58:30 -1583.079988 5.2788 BFGS: 1409 16:58:30 -1583.160692 4.1245 BFGS: 1410 16:58:30 -1607.795615 11.6760 BFGS: 1411 16:58:30 -1583.200931 3.3881 BFGS: 1412 16:58:30 -1608.229105 9.8067 BFGS: 1413 16:58:30 -1583.205720 3.2910 BFGS: 1414 16:58:30 -1583.209299 3.2193 BFGS: 1415 16:58:31 -1607.703740 11.9557 BFGS: 1416 16:58:31 -1608.191418 9.9452 BFGS: 1417 16:58:31 -1581.966051 13.2910 BFGS: 1418 16:58:31 -1582.866225 7.3748 BFGS: 1419 16:58:31 -1607.818117 11.5340 BFGS: 1420 16:58:31 -1583.094013 5.0095 BFGS: 1421 16:58:31 -1583.171135 3.8999 BFGS: 1422 16:58:31 -1607.739652 11.8509 BFGS: 1423 16:58:31 -1583.210011 3.1989 BFGS: 1424 16:58:31 -1608.195705 9.9630 BFGS: 1425 16:58:31 -1608.266022 9.6381 BFGS: 1426 16:58:31 -1581.829459 14.0418 BFGS: 1427 16:58:31 -1582.835318 7.6927 BFGS: 1428 16:58:31 -1607.847008 11.4466 BFGS: 1429 16:58:31 -1583.083736 5.1637 BFGS: 1430 16:58:31 -1583.164850 4.0068 BFGS: 1431 16:58:31 -1607.757012 11.8323 BFGS: 1432 16:58:31 -1583.205628 3.2654 BFGS: 1433 16:58:31 -1608.211673 9.9212 BFGS: 1434 16:58:31 -1583.210447 3.1679 BFGS: 1435 16:58:31 -1608.268977 9.6532 BFGS: 1436 16:58:31 -1583.211400 3.1560 BFGS: 1437 16:58:32 -1583.212095 3.1472 BFGS: 1438 16:58:32 -1607.566577 11.7687 BFGS: 1439 16:58:32 -1608.163121 9.9178 BFGS: 1440 16:58:32 -1582.402599 8.6682 BFGS: 1441 16:58:32 -1582.941887 5.6083 BFGS: 1442 16:58:32 -1607.630552 11.6581 BFGS: 1443 16:58:32 -1583.140208 4.0107 BFGS: 1444 16:58:32 -1608.275952 9.5922 BFGS: 1445 16:58:32 -1583.163672 3.7909 BFGS: 1446 16:58:32 -1583.179245 3.6102 BFGS: 1447 16:58:32 -1607.651320 11.6972 BFGS: 1448 16:58:32 -1608.230413 9.7575 BFGS: 1449 16:58:32 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BFGS: 1499 16:58:34 -1582.882392 6.6364 BFGS: 1500 16:58:34 -1607.822774 11.3630 BFGS: 1501 16:58:35 -1583.111471 4.5660 BFGS: 1502 16:58:35 -1583.185219 3.6052 BFGS: 1503 16:58:35 -1607.776147 11.5298 BFGS: 1504 16:58:35 -1608.258163 9.6828 BFGS: 1505 16:58:35 -1581.961575 11.8340 BFGS: 1506 16:58:35 -1582.872953 6.7423 BFGS: 1507 16:58:35 -1607.824998 11.3563 BFGS: 1508 16:58:35 -1583.108126 4.6191 BFGS: 1509 16:58:35 -1583.183346 3.6423 BFGS: 1510 16:58:35 -1607.778360 11.5282 BFGS: 1511 16:58:35 -1608.264725 9.6628 BFGS: 1512 16:58:35 -1581.956480 11.9091 BFGS: 1513 16:58:35 -1582.870289 6.7907 BFGS: 1514 16:58:35 -1607.829266 11.3478 BFGS: 1515 16:58:35 -1583.106500 4.6486 BFGS: 1516 16:58:35 -1583.182041 3.6650 BFGS: 1517 16:58:35 -1607.781742 11.5298 BFGS: 1518 16:58:35 -1608.269895 9.6508 BFGS: 1519 16:58:35 -1581.946915 12.0077 BFGS: 1520 16:58:35 -1582.867778 6.8356 BFGS: 1521 16:58:35 -1607.834408 11.3434 BFGS: 1522 16:58:35 -1583.104925 4.6742 BFGS: 1523 16:58:35 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BFGS: 1721 16:58:46 -1583.178503 3.7657 BFGS: 1722 16:58:46 -1607.801320 11.6093 BFGS: 1723 16:58:46 -1583.214220 3.1375 BFGS: 1724 16:58:46 -1608.225824 9.9504 BFGS: 1725 16:58:46 -1583.218293 3.0546 BFGS: 1726 16:58:46 -1583.221367 2.9913 BFGS: 1727 16:58:46 -1607.776553 11.7129 BFGS: 1728 16:58:46 -1608.201188 10.0549 BFGS: 1729 16:58:46 -1582.034236 12.1645 BFGS: 1730 16:58:46 -1582.893126 6.8569 BFGS: 1731 16:58:46 -1607.861144 11.3949 BFGS: 1732 16:58:47 -1583.107347 4.7359 BFGS: 1733 16:58:47 -1583.179570 3.7391 BFGS: 1734 16:58:47 -1607.795051 11.6396 BFGS: 1735 16:58:47 -1583.215342 3.1105 BFGS: 1736 16:58:47 -1608.221906 9.9750 BFGS: 1737 16:58:47 -1583.219423 3.0277 BFGS: 1738 16:58:47 -1583.222499 2.9644 BFGS: 1739 16:58:47 -1607.770814 11.7426 BFGS: 1740 16:58:47 -1608.197325 10.0796 BFGS: 1741 16:58:47 -1582.042028 12.1162 BFGS: 1742 16:58:47 -1582.894442 6.8331 BFGS: 1743 16:58:47 -1607.856818 11.4202 BFGS: 1744 16:58:47 -1583.108230 4.7136 BFGS: 1745 16:58:47 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11.7824 BFGS: 1795 16:58:50 -1583.219792 2.9941 BFGS: 1796 16:58:50 -1608.207434 10.0867 BFGS: 1797 16:58:50 -1583.223929 2.9101 BFGS: 1798 16:58:50 -1583.227035 2.8462 BFGS: 1799 16:58:50 -1607.752218 11.8803 BFGS: 1800 16:58:50 -1608.183044 10.1914 BFGS: 1801 16:58:50 -1582.044414 12.0854 BFGS: 1802 16:58:50 -1582.897529 6.7528 BFGS: 1803 16:58:50 -1607.843521 11.5382 BFGS: 1804 16:58:50 -1583.111690 4.6172 BFGS: 1805 16:58:50 -1583.184271 3.6113 BFGS: 1806 16:58:50 -1607.771887 11.8062 BFGS: 1807 16:58:50 -1583.220554 2.9728 BFGS: 1808 16:58:50 -1608.205189 10.1070 BFGS: 1809 16:58:51 -1583.224699 2.8888 BFGS: 1810 16:58:51 -1583.227809 2.8247 BFGS: 1811 16:58:51 -1607.749894 11.9031 BFGS: 1812 16:58:51 -1608.180831 10.2116 BFGS: 1813 16:58:51 -1582.042243 12.0867 BFGS: 1814 16:58:51 -1582.897971 6.7368 BFGS: 1815 16:58:51 -1607.841896 11.5581 BFGS: 1816 16:58:51 -1583.112325 4.5984 BFGS: 1817 16:58:51 -1583.184955 3.5915 BFGS: 1818 16:58:51 -1607.769664 11.8285 BFGS: 1819 16:58:51 -1583.221286 2.9523 BFGS: 1820 16:58:51 -1608.203093 10.1265 BFGS: 1821 16:58:51 -1583.225436 2.8681 BFGS: 1822 16:58:51 -1583.228550 2.8040 BFGS: 1823 16:58:51 -1607.747875 11.9245 BFGS: 1824 16:58:51 -1608.178766 10.2311 BFGS: 1825 16:58:51 -1582.039629 12.0887 BFGS: 1826 16:58:51 -1582.898381 6.7207 BFGS: 1827 16:58:52 -1607.840457 11.5770 BFGS: 1828 16:58:52 -1583.112947 4.5797 BFGS: 1829 16:58:52 -1583.185621 3.5721 BFGS: 1830 16:58:52 -1607.767731 11.8495 BFGS: 1831 16:58:52 -1583.221990 2.9323 BFGS: 1832 16:58:52 -1608.201124 10.1455 BFGS: 1833 16:58:52 -1583.226145 2.8481 BFGS: 1834 16:58:52 -1583.229262 2.7839 BFGS: 1835 16:58:52 -1607.746117 11.9448 BFGS: 1836 16:58:52 -1608.176828 10.2500 BFGS: 1837 16:58:52 -1582.036618 12.0917 BFGS: 1838 16:58:52 -1582.898765 6.7047 BFGS: 1839 16:58:52 -1607.839203 11.5950 BFGS: 1840 16:58:52 -1583.113556 4.5613 BFGS: 1841 16:58:52 -1583.186268 3.5531 BFGS: 1842 16:58:52 -1607.766044 11.8693 BFGS: 1843 16:58:52 -1583.222669 2.9128 BFGS: 1844 16:58:52 -1608.199266 10.1638 BFGS: 1845 16:58:52 -1583.226829 2.8286 BFGS: 1846 16:58:53 -1583.229948 2.7644 BFGS: 1847 16:58:53 -1607.744587 11.9641 BFGS: 1848 16:58:53 -1608.175002 10.2684 BFGS: 1849 16:58:53 -1582.033233 12.0960 BFGS: 1850 16:58:53 -1582.899121 6.6890 BFGS: 1851 16:58:53 -1607.838109 11.6122 BFGS: 1852 16:58:53 -1583.114152 4.5432 BFGS: 1853 16:58:53 -1583.186899 3.5345 BFGS: 1854 16:58:53 -1607.764571 11.8882 BFGS: 1855 16:58:53 -1583.223326 2.8939 BFGS: 1856 16:58:53 -1608.197509 10.1817 BFGS: 1857 16:58:53 -1583.227489 2.8096 BFGS: 1858 16:58:53 -1583.230610 2.7454 BFGS: 1859 16:58:53 -1607.743253 11.9825 BFGS: 1860 16:58:53 -1608.173276 10.2862 BFGS: 1861 16:58:53 -1582.029516 12.1016 BFGS: 1862 16:58:53 -1582.899452 6.6736 BFGS: 1863 16:58:53 -1607.837165 11.6288 BFGS: 1864 16:58:53 -1583.114734 4.5254 BFGS: 1865 16:58:53 -1583.187513 3.5163 BFGS: 1866 16:58:54 -1607.763280 11.9064 BFGS: 1867 16:58:54 -1583.223962 2.8754 BFGS: 1868 16:58:54 -1608.195839 10.1991 BFGS: 1869 16:58:54 -1583.228128 2.7912 BFGS: 1870 16:58:54 -1583.231250 2.7269 BFGS: 1871 16:58:54 -1607.742089 12.0003 BFGS: 1872 16:58:54 -1608.171639 10.3036 BFGS: 1873 16:58:54 -1582.025516 12.1083 BFGS: 1874 16:58:54 -1582.899761 6.6584 BFGS: 1875 16:58:54 -1607.836347 11.6448 BFGS: 1876 16:58:54 -1583.115304 4.5079 BFGS: 1877 16:58:54 -1583.188113 3.4985 BFGS: 1878 16:58:54 -1607.762145 11.9239 BFGS: 1879 16:58:54 -1583.224579 2.8573 BFGS: 1880 16:58:54 -1608.194247 10.2162 BFGS: 1881 16:58:54 -1583.228748 2.7731 BFGS: 1882 16:58:54 -1583.231871 2.7088 BFGS: 1883 16:58:54 -1607.741073 12.0174 BFGS: 1884 16:58:54 -1608.170080 10.3206 BFGS: 1885 16:58:54 -1582.021296 12.1159 BFGS: 1886 16:58:54 -1582.900055 6.6434 BFGS: 1887 16:58:54 -1607.835638 11.6604 BFGS: 1888 16:58:55 -1583.115864 4.4906 BFGS: 1889 16:58:55 -1583.188699 3.4809 BFGS: 1890 16:58:55 -1607.761143 11.9408 BFGS: 1891 16:58:55 -1583.225179 2.8396 BFGS: 1892 16:58:55 -1608.192723 10.2329 BFGS: 1893 16:58:55 -1583.229351 2.7553 BFGS: 1894 16:58:55 -1583.232476 2.6910 BFGS: 1895 16:58:55 -1607.740184 12.0340 BFGS: 1896 16:58:55 -1608.168590 10.3373 BFGS: 1897 16:58:55 -1582.016920 12.1239 BFGS: 1898 16:58:55 -1582.900338 6.6285 BFGS: 1899 16:58:55 -1607.835017 11.6755 BFGS: 1900 16:58:55 -1583.116415 4.4735 BFGS: 1901 16:58:55 -1583.189274 3.4636 BFGS: 1902 16:58:55 -1607.760255 11.9573 BFGS: 1903 16:58:55 -1583.225765 2.8222 BFGS: 1904 16:58:55 -1608.191256 10.2493 BFGS: 1905 16:58:55 -1583.229940 2.7379 BFGS: 1906 16:58:55 -1583.233065 2.6736 BFGS: 1907 16:58:56 -1607.739409 12.0500 BFGS: 1908 16:58:56 -1608.167159 10.3537 BFGS: 1909 16:58:56 -1582.012453 12.1319 BFGS: 1910 16:58:56 -1582.900619 6.6136 BFGS: 1911 16:58:56 -1607.834467 11.6903 BFGS: 1912 16:58:56 -1583.116962 4.4565 BFGS: 1913 16:58:56 -1583.189840 3.4464 BFGS: 1914 16:58:56 -1607.759468 11.9733 BFGS: 1915 16:58:56 -1583.226339 2.8050 BFGS: 1916 16:58:56 -1608.189841 10.2655 BFGS: 1917 16:58:56 -1583.230515 2.7207 BFGS: 1918 16:58:56 -1583.233641 2.6564 BFGS: 1919 16:58:56 -1607.738733 12.0655 BFGS: 1920 16:58:56 -1608.165780 10.3699 BFGS: 1921 16:58:56 -1582.007953 12.1396 BFGS: 1922 16:58:56 -1582.900902 6.5986 BFGS: 1923 16:58:56 -1607.833975 11.7047 BFGS: 1924 16:58:56 -1583.117505 4.4395 BFGS: 1925 16:58:56 -1583.190399 3.4294 BFGS: 1926 16:58:57 -1607.758769 11.9888 BFGS: 1927 16:58:57 -1583.226902 2.7881 BFGS: 1928 16:58:57 -1608.188469 10.2815 BFGS: 1929 16:58:57 -1583.231079 2.7038 BFGS: 1930 16:58:57 -1583.234205 2.6395 BFGS: 1931 16:58:57 -1607.738147 12.0804 BFGS: 1932 16:58:57 -1608.164447 10.3857 BFGS: 1933 16:58:57 -1582.003472 12.1464 BFGS: 1934 16:58:57 -1582.901194 6.5833 BFGS: 1935 16:58:57 -1607.833527 11.7188 BFGS: 1936 16:58:57 -1583.118047 4.4226 BFGS: 1937 16:58:57 -1583.190952 3.4124 BFGS: 1938 16:58:57 -1607.758148 12.0038 BFGS: 1939 16:58:57 -1583.227454 2.7713 BFGS: 1940 16:58:57 -1608.187135 10.2973 BFGS: 1941 16:58:57 -1583.231633 2.6870 BFGS: 1942 16:58:57 -1583.234758 2.6227 BFGS: 1943 16:58:58 -1607.737640 12.0949 BFGS: 1944 16:58:58 -1608.163155 10.4014 BFGS: 1945 16:58:58 -1581.999053 12.1523 BFGS: 1946 16:58:58 -1582.901499 6.5678 BFGS: 1947 16:58:58 -1607.833113 11.7326 BFGS: 1948 16:58:58 -1583.118590 4.4055 BFGS: 1949 16:58:58 -1583.191501 3.3956 BFGS: 1950 16:58:58 -1607.757596 12.0185 BFGS: 1951 16:58:58 -1583.227999 2.7547 BFGS: 1952 16:58:58 -1608.185836 10.3128 BFGS: 1953 16:58:58 -1583.232177 2.6705 BFGS: 1954 16:58:58 -1583.235303 2.6062 BFGS: 1955 16:58:58 -1607.737202 12.1089 BFGS: 1956 16:58:58 -1608.161897 10.4168 BFGS: 1957 16:58:58 -1581.994731 12.1568 BFGS: 1958 16:58:58 -1582.901820 6.5519 BFGS: 1959 16:58:58 -1607.832724 11.7462 BFGS: 1960 16:58:58 -1583.119134 4.3885 BFGS: 1961 16:58:58 -1583.192047 3.3788 BFGS: 1962 16:58:58 -1607.757103 12.0326 BFGS: 1963 16:58:58 -1583.228536 2.7382 BFGS: 1964 16:58:59 -1608.184564 10.3282 BFGS: 1965 16:58:59 -1583.232714 2.6540 BFGS: 1966 16:58:59 -1583.235839 2.5898 BFGS: 1967 16:58:59 -1607.736823 12.1225 BFGS: 1968 16:58:59 -1608.160669 10.4321 BFGS: 1969 16:58:59 -1581.990534 12.1600 BFGS: 1970 16:58:59 -1582.902159 6.5356 BFGS: 1971 16:58:59 -1607.832352 11.7594 BFGS: 1972 16:58:59 -1583.119681 4.3713 BFGS: 1973 16:58:59 -1583.192589 3.3620 BFGS: 1974 16:58:59 -1607.756661 12.0464 BFGS: 1975 16:58:59 -1583.229066 2.7219 BFGS: 1976 16:58:59 -1608.183318 10.3434 BFGS: 1977 16:58:59 -1583.233244 2.6378 BFGS: 1978 16:58:59 -1583.236367 2.5736 BFGS: 1979 16:58:59 -1607.736495 12.1356 BFGS: 1980 16:58:59 -1608.159468 10.4471 BFGS: 1981 16:58:59 -1581.986481 12.1617 BFGS: 1982 16:58:59 -1582.902518 6.5190 BFGS: 1983 16:58:59 -1607.831991 11.7724 BFGS: 1984 16:59:00 -1583.120232 4.3541 BFGS: 1985 16:59:00 -1583.193130 3.3453 BFGS: 1986 16:59:00 -1607.756262 12.0597 BFGS: 1987 16:59:00 -1583.229591 2.7057 BFGS: 1988 16:59:00 -1608.182092 10.3584 BFGS: 1989 16:59:00 -1583.233768 2.6217 BFGS: 1990 16:59:00 -1583.236890 2.5576 BFGS: 1991 16:59:00 -1607.736210 12.1484 BFGS: 1992 16:59:00 -1608.158288 10.4620 BFGS: 1993 16:59:00 -1581.982588 12.1618 BFGS: 1994 16:59:00 -1582.902897 6.5021 BFGS: 1995 16:59:00 -1607.831636 11.7851 BFGS: 1996 16:59:00 -1583.120786 4.3368 BFGS: 1997 16:59:00 -1583.193670 3.3286 BFGS: 1998 16:59:00 -1607.755898 12.0727 BFGS: 1999 16:59:00 -1583.230112 2.6896 BFGS: 2000 16:59:00 -1608.180883 10.3733 BFGS: 2001 16:59:00 -1583.234287 2.6057 BFGS: 2002 16:59:00 -1583.237407 2.5416 BFGS: 2003 16:59:01 -1607.735960 12.1607 BFGS: 2004 16:59:01 -1608.157127 10.4767 BFGS: 2005 16:59:01 -1581.978866 12.1605 BFGS: 2006 16:59:01 -1582.903298 6.4847 BFGS: 2007 16:59:01 -1607.831283 11.7977 BFGS: 2008 16:59:01 -1583.121343 4.3193 BFGS: 2009 16:59:01 -1583.194209 3.3119 BFGS: 2010 16:59:01 -1607.755563 12.0854 BFGS: 2011 16:59:01 -1583.230628 2.6736 BFGS: 2012 16:59:01 -1608.179688 10.3880 BFGS: 2013 16:59:01 -1583.234801 2.5898 BFGS: 2014 16:59:01 -1583.237919 2.5258 BFGS: 2015 16:59:01 -1607.735740 12.1727 BFGS: 2016 16:59:01 -1608.155980 10.4912 BFGS: 2017 16:59:01 -1581.975322 12.1575 BFGS: 2018 16:59:01 -1582.903721 6.4670 BFGS: 2019 16:59:01 -1607.830926 11.8100 BFGS: 2020 16:59:01 -1583.121906 4.3018 BFGS: 2021 16:59:01 -1583.194748 3.2952 BFGS: 2022 16:59:02 -1607.755250 12.0977 BFGS: 2023 16:59:02 -1583.231140 2.6577 BFGS: 2024 16:59:02 -1608.178504 10.4026 BFGS: 2025 16:59:02 -1583.235311 2.5740 BFGS: 2026 16:59:02 -1583.238427 2.5101 BFGS: 2027 16:59:02 -1607.735544 12.1844 BFGS: 2028 16:59:02 -1608.154846 10.5056 BFGS: 2029 16:59:02 -1581.971960 12.1530 BFGS: 2030 16:59:02 -1582.904166 6.4490 BFGS: 2031 16:59:02 -1607.830564 11.8222 BFGS: 2032 16:59:02 -1583.122473 4.2842 BFGS: 2033 16:59:02 -1583.195287 3.2785 BFGS: 2034 16:59:02 -1607.754956 12.1098 BFGS: 2035 16:59:02 -1583.231650 2.6419 BFGS: 2036 16:59:02 -1608.177329 10.4171 BFGS: 2037 16:59:02 -1583.235818 2.5583 BFGS: 2038 16:59:02 -1583.238931 2.4945 BFGS: 2039 16:59:02 -1607.735366 12.1958 BFGS: 2040 16:59:03 -1608.153720 10.5199 BFGS: 2041 16:59:03 -1581.968784 12.1470 BFGS: 2042 16:59:03 -1582.904632 6.4306 BFGS: 2043 16:59:03 -1607.830195 11.8342 BFGS: 2044 16:59:03 -1583.123044 4.2665 BFGS: 2045 16:59:03 -1583.195826 3.2618 BFGS: 2046 16:59:03 -1607.754676 12.1216 BFGS: 2047 16:59:03 -1583.232158 2.6262 BFGS: 2048 16:59:03 -1608.176160 10.4315 BFGS: 2049 16:59:03 -1583.236323 2.5426 BFGS: 2050 16:59:03 -1583.239433 2.4790 BFGS: 2051 16:59:03 -1607.735205 12.2069 BFGS: 2052 16:59:03 -1608.152602 10.5340 BFGS: 2053 16:59:03 -1581.965793 12.1395 BFGS: 2054 16:59:03 -1582.905121 6.4119 BFGS: 2055 16:59:03 -1607.829816 11.8460 BFGS: 2056 16:59:04 -1583.123621 4.2488 BFGS: 2057 16:59:04 -1583.196366 3.2452 BFGS: 2058 16:59:04 -1607.754407 12.1331 BFGS: 2059 16:59:04 -1583.232664 2.6105 BFGS: 2060 16:59:04 -1608.174995 10.4458 BFGS: 2061 16:59:04 -1583.236825 2.5271 BFGS: 2062 16:59:04 -1583.239933 2.4635 BFGS: 2063 16:59:04 -1607.735056 12.2178 BFGS: 2064 16:59:04 -1608.151490 10.5481 BFGS: 2065 16:59:04 -1581.962986 12.1305 BFGS: 2066 16:59:04 -1582.905631 6.3929 BFGS: 2067 16:59:04 -1607.829426 11.8577 BFGS: 2068 16:59:04 -1583.124203 4.2309 BFGS: 2069 16:59:04 -1583.196907 3.2285 BFGS: 2070 16:59:04 -1607.754147 12.1445 BFGS: 2071 16:59:04 -1583.233168 2.5948 BFGS: 2072 16:59:04 -1608.173833 10.4600 BFGS: 2073 16:59:05 -1583.237326 2.5116 BFGS: 2074 16:59:05 -1583.240431 2.4481 BFGS: 2075 16:59:05 -1607.734918 12.2284 BFGS: 2076 16:59:05 -1608.150381 10.5620 BFGS: 2077 16:59:05 -1581.960357 12.1201 BFGS: 2078 16:59:05 -1582.906162 6.3735 BFGS: 2079 16:59:05 -1607.829026 11.8693 BFGS: 2080 16:59:05 -1583.124790 4.2129 BFGS: 2081 16:59:05 -1583.197450 3.2118 BFGS: 2082 16:59:05 -1607.753893 12.1555 BFGS: 2083 16:59:05 -1583.233672 2.5793 BFGS: 2084 16:59:05 -1608.172673 10.4741 BFGS: 2085 16:59:05 -1583.237826 2.4962 BFGS: 2086 16:59:05 -1583.240927 2.4328 BFGS: 2087 16:59:05 -1607.734789 12.2387 BFGS: 2088 16:59:05 -1608.149274 10.5759 BFGS: 2089 16:59:05 -1581.957902 12.1084 BFGS: 2090 16:59:05 -1582.906714 6.3539 BFGS: 2091 16:59:06 -1607.828615 11.8807 BFGS: 2092 16:59:06 -1583.125382 4.1949 BFGS: 2093 16:59:06 -1583.197994 3.1951 BFGS: 2094 16:59:06 -1607.753646 12.1664 BFGS: 2095 16:59:06 -1583.234174 2.5637 BFGS: 2096 16:59:06 -1608.171513 10.4881 BFGS: 2097 16:59:06 -1583.238325 2.4808 BFGS: 2098 16:59:06 -1583.241422 2.4176 BFGS: 2099 16:59:06 -1607.734668 12.2488 BFGS: 2100 16:59:06 -1608.148170 10.5896 BFGS: 2101 16:59:06 -1581.955613 12.0953 BFGS: 2102 16:59:06 -1582.907286 6.3339 BFGS: 2103 16:59:06 -1607.828193 11.8919 BFGS: 2104 16:59:06 -1583.125980 4.1768 BFGS: 2105 16:59:06 -1583.198540 3.1784 BFGS: 2106 16:59:06 -1607.753403 12.1771 BFGS: 2107 16:59:06 -1583.234677 2.5483 BFGS: 2108 16:59:06 -1608.170354 10.5021 BFGS: 2109 16:59:07 -1583.238822 2.4655 BFGS: 2110 16:59:07 -1583.241916 2.4024 BFGS: 2111 16:59:07 -1607.734555 12.2588 BFGS: 2112 16:59:07 -1608.147066 10.6032 BFGS: 2113 16:59:07 -1581.953479 12.0810 BFGS: 2114 16:59:07 -1582.907877 6.3137 BFGS: 2115 16:59:07 -1607.827762 11.9031 BFGS: 2116 16:59:07 -1583.126582 4.1586 BFGS: 2117 16:59:07 -1583.199087 3.1617 BFGS: 2118 16:59:07 -1607.753167 12.1876 BFGS: 2119 16:59:07 -1583.235179 2.5328 BFGS: 2120 16:59:07 -1608.169195 10.5159 BFGS: 2121 16:59:07 -1583.239319 2.4502 BFGS: 2122 16:59:07 -1583.242409 2.3873 BFGS: 2123 16:59:07 -1607.734449 12.2685 BFGS: 2124 16:59:07 -1608.145964 10.6168 BFGS: 2125 16:59:07 -1581.951490 12.0655 BFGS: 2126 16:59:08 -1582.908486 6.2932 BFGS: 2127 16:59:08 -1607.827323 11.9141 BFGS: 2128 16:59:08 -1583.127190 4.1403 BFGS: 2129 16:59:08 -1583.199636 3.1450 BFGS: 2130 16:59:08 -1607.752936 12.1978 BFGS: 2131 16:59:08 -1583.235680 2.5175 BFGS: 2132 16:59:08 -1608.168036 10.5297 BFGS: 2133 16:59:08 -1583.239816 2.4350 BFGS: 2134 16:59:08 -1583.242901 2.3722 BFGS: 2135 16:59:08 -1607.734352 12.2779 BFGS: 2136 16:59:08 -1608.144862 10.6302 BFGS: 2137 16:59:08 -1581.949633 12.0489 BFGS: 2138 16:59:08 -1582.909113 6.2725 BFGS: 2139 16:59:08 -1607.826877 11.9249 BFGS: 2140 16:59:08 -1583.127802 4.1220 BFGS: 2141 16:59:08 -1583.200187 3.1283 BFGS: 2142 16:59:08 -1607.752711 12.2079 BFGS: 2143 16:59:08 -1583.236181 2.5021 BFGS: 2144 16:59:08 -1608.166877 10.5434 BFGS: 2145 16:59:08 -1583.240312 2.4199 BFGS: 2146 16:59:08 -1583.243393 2.3572 BFGS: 2147 16:59:09 -1484.614547 21.6568 BFGS: 2148 16:59:09 -1608.163901 10.5566 BFGS: 2149 16:59:09 -1583.046159 5.0610 BFGS: 2150 16:59:09 -1583.138629 4.0037 BFGS: 2151 16:59:09 -1484.660186 21.6264 BFGS: 2152 16:59:09 -1583.194101 3.2311 BFGS: 2153 16:59:09 -1583.224534 2.7256 BFGS: 2154 16:59:09 -1607.748830 12.2373 BFGS: 2155 16:59:09 -1608.196194 10.4105 BFGS: 2156 16:59:09 -1581.853424 12.4845 BFGS: 2157 16:59:09 -1582.889927 6.4362 BFGS: 2158 16:59:09 -1607.839909 11.8813 BFGS: 2159 16:59:09 -1583.122837 4.1938 BFGS: 2160 16:59:09 -1583.197935 3.1763 BFGS: 2161 16:59:09 -1607.761771 12.1827 BFGS: 2162 16:59:09 -1583.235005 2.5358 BFGS: 2163 16:59:09 -1608.172962 10.5182 BFGS: 2164 16:59:09 -1583.239268 2.4509 BFGS: 2165 16:59:09 -1583.242446 2.3865 BFGS: 2166 16:59:09 -1484.626547 21.6507 BFGS: 2167 16:59:10 -1608.169171 10.5358 BFGS: 2168 16:59:10 -1583.042847 5.1024 BFGS: 2169 16:59:10 -1583.137288 4.0283 BFGS: 2170 16:59:10 -1484.671029 21.6218 BFGS: 2171 16:59:10 -1583.193670 3.2453 BFGS: 2172 16:59:10 -1583.224403 2.7356 BFGS: 2173 16:59:10 -1607.754097 12.2254 BFGS: 2174 16:59:10 -1608.198475 10.4029 BFGS: 2175 16:59:10 -1581.832875 12.5708 BFGS: 2176 16:59:10 -1582.889508 6.4417 BFGS: 2177 16:59:10 -1607.844967 11.8689 BFGS: 2178 16:59:10 -1583.123208 4.1947 BFGS: 2179 16:59:10 -1583.198241 3.1782 BFGS: 2180 16:59:10 -1607.766534 12.1713 BFGS: 2181 16:59:10 -1583.235240 2.5387 BFGS: 2182 16:59:10 -1608.174406 10.5145 BFGS: 2183 16:59:10 -1583.239496 2.4538 BFGS: 2184 16:59:10 -1583.242670 2.3896 BFGS: 2185 16:59:10 -1484.635096 21.6428 BFGS: 2186 16:59:10 -1608.170260 10.5334 BFGS: 2187 16:59:10 -1583.041692 5.1124 BFGS: 2188 16:59:10 -1583.137213 4.0311 BFGS: 2189 16:59:11 -1484.678613 21.6150 BFGS: 2190 16:59:11 -1583.193970 3.2449 BFGS: 2191 16:59:11 -1583.224781 2.7347 BFGS: 2192 16:59:11 -1484.665775 21.6177 BFGS: 2193 16:59:11 -1583.243966 2.3724 BFGS: 2194 16:59:11 -1608.168490 10.5415 BFGS: 2195 16:59:11 -1583.246527 2.3245 BFGS: 2196 16:59:11 -1608.203981 10.3771 BFGS: 2197 16:59:11 -1583.246965 2.3193 BFGS: 2198 16:59:11 -1583.247296 2.3144 BFGS: 2199 16:59:11 -1607.659938 12.2219 BFGS: 2200 16:59:11 -1608.124017 10.6572 BFGS: 2201 16:59:11 -1582.254251 9.4628 BFGS: 2202 16:59:11 -1582.947109 5.5013 BFGS: 2203 16:59:11 -1607.733382 12.0179 BFGS: 2204 16:59:11 -1583.147849 3.7055 BFGS: 2205 16:59:11 -1583.218332 2.8076 BFGS: 2206 16:59:11 -1484.464330 21.7707 BFGS: 2207 16:59:11 -1583.243894 2.4075 BFGS: 2208 16:59:11 -1608.157713 10.5468 BFGS: 2209 16:59:11 -1608.209703 10.3269 BFGS: 2210 16:59:12 -1582.016854 11.0649 BFGS: 2211 16:59:12 -1582.897093 6.0691 BFGS: 2212 16:59:12 -1607.769522 12.0233 BFGS: 2213 16:59:12 -1583.132775 3.9331 BFGS: 2214 16:59:12 -1583.209762 2.9484 BFGS: 2215 16:59:12 -1484.510344 21.7291 BFGS: 2216 16:59:12 -1583.237648 2.5039 BFGS: 2217 16:59:12 -1608.179524 10.4722 BFGS: 2218 16:59:12 -1583.241766 2.4319 BFGS: 2219 16:59:12 -1583.244789 2.3762 BFGS: 2220 16:59:12 -1607.691005 12.4375 BFGS: 2221 16:59:12 -1608.133271 10.6809 BFGS: 2222 16:59:12 -1581.984218 11.6357 BFGS: 2223 16:59:12 -1582.915746 6.0725 BFGS: 2224 16:59:12 -1607.784208 12.0958 BFGS: 2225 16:59:12 -1583.137998 3.9196 BFGS: 2226 16:59:12 -1583.211494 2.9262 BFGS: 2227 16:59:12 -1607.707886 12.3883 BFGS: 2228 16:59:12 -1583.248067 2.3026 BFGS: 2229 16:59:12 -1608.127763 10.7224 BFGS: 2230 16:59:12 -1608.192923 10.4341 BFGS: 2231 16:59:13 -1581.894178 12.0037 BFGS: 2232 16:59:13 -1582.893563 6.2441 BFGS: 2233 16:59:13 -1607.799621 12.0405 BFGS: 2234 16:59:13 -1583.131143 4.0023 BFGS: 2235 16:59:13 -1583.207632 2.9850 BFGS: 2236 16:59:13 -1607.720085 12.3531 BFGS: 2237 16:59:13 -1583.245355 2.3461 BFGS: 2238 16:59:13 -1608.137670 10.6894 BFGS: 2239 16:59:13 -1608.203004 10.3985 BFGS: 2240 16:59:13 -1581.862694 12.1415 BFGS: 2241 16:59:13 -1582.889768 6.2787 BFGS: 2242 16:59:13 -1607.809418 12.0128 BFGS: 2243 16:59:13 -1583.129601 4.0239 BFGS: 2244 16:59:13 -1583.206262 3.0052 BFGS: 2245 16:59:13 -1607.730014 12.3286 BFGS: 2246 16:59:13 -1583.243964 2.3649 BFGS: 2247 16:59:13 -1608.143598 10.6732 BFGS: 2248 16:59:13 -1583.248307 2.2795 BFGS: 2249 16:59:13 -1608.195749 10.4420 BFGS: 2250 16:59:13 -1583.249021 2.2655 BFGS: 2251 16:59:13 -1583.249559 2.2550 BFGS: 2252 16:59:13 -1484.418246 21.7878 BFGS: 2253 16:59:13 -1608.149030 10.6381 BFGS: 2254 16:59:14 -1583.095960 4.4047 BFGS: 2255 16:59:14 -1583.164370 3.5723 BFGS: 2256 16:59:14 -1484.463455 21.7590 BFGS: 2257 16:59:14 -1583.210666 2.9207 BFGS: 2258 16:59:14 -1583.238191 2.4720 BFGS: 2259 16:59:14 -1484.448236 21.7833 BFGS: 2260 16:59:14 -1608.180740 10.4985 BFGS: 2261 16:59:14 -1583.071113 4.6534 BFGS: 2262 16:59:14 -1583.149866 3.7641 BFGS: 2263 16:59:14 -1484.488383 21.7636 BFGS: 2264 16:59:14 -1583.202856 3.0552 BFGS: 2265 16:59:14 -1583.233379 2.5746 BFGS: 2266 16:59:14 -1484.476708 21.7729 BFGS: 2267 16:59:14 -1608.194656 10.4271 BFGS: 2268 16:59:14 -1583.059324 4.7883 BFGS: 2269 16:59:14 -1583.143446 3.8610 BFGS: 2270 16:59:14 -1484.515910 21.7528 BFGS: 2271 16:59:14 -1583.199502 3.1219 BFGS: 2272 16:59:14 -1583.231262 2.6258 BFGS: 2273 16:59:14 -1484.503235 21.7558 BFGS: 2274 16:59:14 -1608.201279 10.3906 BFGS: 2275 16:59:15 -1583.052711 4.8739 BFGS: 2276 16:59:15 -1583.140189 3.9184 BFGS: 2277 16:59:15 -1484.541330 21.7357 BFGS: 2278 16:59:15 -1583.197913 3.1601 BFGS: 2279 16:59:15 -1583.230250 2.6551 BFGS: 2280 16:59:15 -1484.527527 21.7370 BFGS: 2281 16:59:15 -1608.204903 10.3694 BFGS: 2282 16:59:15 -1583.047770 4.9410 BFGS: 2283 16:59:15 -1583.138009 3.9605 BFGS: 2284 16:59:15 -1484.564572 21.7173 BFGS: 2285 16:59:15 -1583.196948 3.1868 BFGS: 2286 16:59:15 -1583.229653 2.6753 BFGS: 2287 16:59:15 -1484.549871 21.7184 BFGS: 2288 16:59:15 -1608.207308 10.3549 BFGS: 2289 16:59:15 -1583.043093 5.0030 BFGS: 2290 16:59:15 -1583.136082 3.9973 BFGS: 2291 16:59:15 -1484.586058 21.6992 BFGS: 2292 16:59:15 -1583.196157 3.2091 BFGS: 2293 16:59:15 -1583.229194 2.6914 BFGS: 2294 16:59:15 -1484.570612 21.7003 BFGS: 2295 16:59:15 -1608.209213 10.3434 BFGS: 2296 16:59:16 -1583.038163 5.0648 BFGS: 2297 16:59:16 -1583.134106 4.0326 BFGS: 2298 16:59:16 -1484.606152 21.6816 BFGS: 2299 16:59:16 -1583.195375 3.2297 BFGS: 2300 16:59:16 -1583.228768 2.7058 BFGS: 2301 16:59:16 -1484.590054 21.6829 BFGS: 2302 16:59:16 -1608.210907 10.3335 BFGS: 2303 16:59:16 -1583.032811 5.1282 BFGS: 2304 16:59:16 -1583.131987 4.0678 BFGS: 2305 16:59:16 -1484.625128 21.6646 BFGS: 2306 16:59:16 -1583.194549 3.2495 BFGS: 2307 16:59:16 -1583.228338 2.7192 BFGS: 2308 16:59:16 -1484.608437 21.6659 BFGS: 2309 16:59:16 -1608.212503 10.3243 BFGS: 2310 16:59:16 -1583.027001 5.1935 BFGS: 2311 16:59:16 -1583.129704 4.1033 BFGS: 2312 16:59:16 -1484.643189 21.6481 BFGS: 2313 16:59:16 -1583.193668 3.2692 BFGS: 2314 16:59:16 -1583.227892 2.7322 BFGS: 2315 16:59:16 -1484.625950 21.6494 BFGS: 2316 16:59:16 -1608.214048 10.3156 BFGS: 2317 16:59:16 -1583.020737 5.2609 BFGS: 2318 16:59:16 -1583.127263 4.1392 BFGS: 2319 16:59:16 -1484.660495 21.6321 BFGS: 2320 16:59:17 -1583.192732 3.2887 BFGS: 2321 16:59:17 -1583.227428 2.7449 BFGS: 2322 16:59:17 -1484.642737 21.6334 BFGS: 2323 16:59:17 -1583.248661 2.3594 BFGS: 2324 16:59:17 -1608.160375 10.5628 BFGS: 2325 16:59:17 -1608.204425 10.3571 BFGS: 2326 16:59:17 -1581.729467 12.8541 BFGS: 2327 16:59:17 -1582.888862 6.3719 BFGS: 2328 16:59:17 -1607.836815 11.9230 BFGS: 2329 16:59:17 -1583.132097 4.0773 BFGS: 2330 16:59:17 -1583.208079 3.0607 BFGS: 2331 16:59:17 -1484.659263 21.6245 BFGS: 2332 16:59:17 -1583.236653 2.5818 BFGS: 2333 16:59:17 -1608.194340 10.4111 BFGS: 2334 16:59:17 -1583.240788 2.5072 BFGS: 2335 16:59:17 -1583.243840 2.4510 BFGS: 2336 16:59:17 -1484.625270 21.6294 BFGS: 2337 16:59:17 -1608.172494 10.5060 BFGS: 2338 16:59:17 -1583.044213 5.0095 BFGS: 2339 16:59:17 -1583.142065 3.9478 BFGS: 2340 16:59:17 -1484.662731 21.6089 BFGS: 2341 16:59:17 -1583.201231 3.1586 BFGS: 2342 16:59:18 -1583.233074 2.6479 BFGS: 2343 16:59:18 -1484.648498 21.6089 BFGS: 2344 16:59:18 -1608.201565 10.3741 BFGS: 2345 16:59:18 -1583.013027 5.3130 BFGS: 2346 16:59:18 -1583.126298 4.1409 BFGS: 2347 16:59:18 -1484.684140 21.5916 BFGS: 2348 16:59:18 -1583.193530 3.2765 BFGS: 2349 16:59:18 -1583.228633 2.7291 BFGS: 2350 16:59:18 -1484.667110 21.5928 BFGS: 2351 16:59:18 -1608.212894 10.3204 BFGS: 2352 16:59:18 -1582.996805 5.4663 BFGS: 2353 16:59:18 -1583.118868 4.2325 BFGS: 2354 16:59:18 -1607.769779 12.1731 BFGS: 2355 16:59:18 -1583.207711 3.0777 BFGS: 2356 16:59:18 -1583.244862 2.4491 BFGS: 2357 16:59:18 -1484.674119 21.5881 BFGS: 2358 16:59:18 -1608.172196 10.5040 BFGS: 2359 16:59:18 -1583.034001 5.1312 BFGS: 2360 16:59:18 -1583.138895 4.0088 BFGS: 2361 16:59:18 -1484.706883 21.5705 BFGS: 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1.9256 BFGS: 3053 16:59:50 -1607.585119 13.1980 BFGS: 3054 16:59:50 -1608.069038 11.2656 BFGS: 3055 16:59:50 -1581.933264 10.6685 BFGS: 3056 16:59:50 -1582.950629 5.0568 BFGS: 3057 16:59:50 -1607.660924 12.9218 BFGS: 3058 16:59:50 -1583.190991 2.8880 BFGS: 3059 16:59:50 -1583.267023 1.9321 BFGS: 3060 16:59:50 -1607.589303 13.1951 BFGS: 3061 16:59:50 -1608.071639 11.2614 BFGS: 3062 16:59:50 -1581.919215 10.7460 BFGS: 3063 16:59:51 -1582.949160 5.0732 BFGS: 3064 16:59:51 -1607.665431 12.9162 BFGS: 3065 16:59:51 -1583.190145 2.8963 BFGS: 3066 16:59:51 -1583.266208 1.9381 BFGS: 3067 16:59:51 -1607.593247 13.1921 BFGS: 3068 16:59:51 -1608.074115 11.2575 BFGS: 3069 16:59:51 -1581.906087 10.8169 BFGS: 3070 16:59:51 -1582.947801 5.0880 BFGS: 3071 16:59:51 -1607.669656 12.9108 BFGS: 3072 16:59:51 -1583.189354 2.9037 BFGS: 3073 16:59:51 -1583.265442 1.9436 BFGS: 3074 16:59:51 -1607.596984 13.1890 BFGS: 3075 16:59:51 -1608.076455 11.2538 BFGS: 3076 16:59:51 -1581.893813 10.8817 BFGS: 3077 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1.9617 BFGS: 3102 16:59:52 -1607.610354 13.1748 BFGS: 3103 16:59:52 -1608.084704 11.2407 BFGS: 3104 16:59:52 -1581.851544 11.0935 BFGS: 3105 16:59:52 -1582.942472 5.1405 BFGS: 3106 16:59:52 -1607.687659 12.8847 BFGS: 3107 16:59:53 -1583.186131 2.9314 BFGS: 3108 16:59:53 -1583.262238 1.9655 BFGS: 3109 16:59:53 -1607.613402 13.1708 BFGS: 3110 16:59:53 -1608.086546 11.2377 BFGS: 3111 16:59:53 -1581.842337 11.1369 BFGS: 3112 16:59:53 -1582.941642 5.1479 BFGS: 3113 16:59:53 -1607.690799 12.8795 BFGS: 3114 16:59:53 -1583.185607 2.9355 BFGS: 3115 16:59:53 -1583.261700 1.9692 BFGS: 3116 16:59:53 -1607.616365 13.1666 BFGS: 3117 16:59:53 -1608.088319 11.2348 BFGS: 3118 16:59:53 -1581.833561 11.1772 BFGS: 3119 16:59:53 -1582.940874 5.1544 BFGS: 3120 16:59:53 -1607.693829 12.8742 BFGS: 3121 16:59:53 -1583.185116 2.9394 BFGS: 3122 16:59:53 -1583.261190 1.9726 BFGS: 3123 16:59:53 -1607.619255 13.1621 BFGS: 3124 16:59:53 -1608.090031 11.2320 BFGS: 3125 16:59:53 -1581.825167 11.2147 BFGS: 3126 16:59:54 -1582.940163 5.1602 BFGS: 3127 16:59:54 -1607.696763 12.8689 BFGS: 3128 16:59:54 -1583.184655 2.9429 BFGS: 3129 16:59:54 -1583.260704 1.9760 BFGS: 3130 16:59:54 -1607.622083 13.1575 BFGS: 3131 16:59:54 -1608.091689 11.2291 BFGS: 3132 16:59:54 -1581.817111 11.2498 BFGS: 3133 16:59:54 -1582.939505 5.1654 BFGS: 3134 16:59:54 -1607.699613 12.8635 BFGS: 3135 16:59:54 -1583.184221 2.9462 BFGS: 3136 16:59:54 -1583.260241 1.9792 BFGS: 3137 16:59:54 -1607.624860 13.1526 BFGS: 3138 16:59:54 -1608.093301 11.2262 BFGS: 3139 16:59:54 -1581.809353 11.2827 BFGS: 3140 16:59:54 -1582.938893 5.1701 BFGS: 3141 16:59:54 -1607.702391 12.8580 BFGS: 3142 16:59:54 -1583.183812 2.9493 BFGS: 3143 16:59:54 -1583.259799 1.9823 BFGS: 3144 16:59:54 -1607.627593 13.1475 BFGS: 3145 16:59:54 -1608.094872 11.2234 BFGS: 3146 16:59:54 -1581.801859 11.3137 BFGS: 3147 16:59:54 -1582.938324 5.1743 BFGS: 3148 16:59:55 -1607.705105 12.8524 BFGS: 3149 16:59:55 -1583.183426 2.9522 BFGS: 3150 16:59:55 -1583.259376 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3200 16:59:57 -1583.185988 2.9254 BFGS: 3201 16:59:57 -1583.260931 1.9830 BFGS: 3202 16:59:57 -1483.885476 22.3596 BFGS: 3203 16:59:57 -1608.154237 10.9415 BFGS: 3204 16:59:57 -1583.181888 2.9860 BFGS: 3205 16:59:57 -1583.219069 2.5480 BFGS: 3206 16:59:57 -1483.900091 22.3469 BFGS: 3207 16:59:57 -1583.251969 2.1202 BFGS: 3208 16:59:57 -1583.274059 1.8456 BFGS: 3209 16:59:57 -1483.888352 22.3481 BFGS: 3210 16:59:57 -1608.124850 11.0768 BFGS: 3211 16:59:58 -1583.199963 2.8011 BFGS: 3212 16:59:58 -1583.232491 2.3973 BFGS: 3213 16:59:58 -1483.907932 22.3335 BFGS: 3214 16:59:58 -1583.261034 2.0094 BFGS: 3215 16:59:58 -1608.156179 10.9217 BFGS: 3216 16:59:58 -1583.266473 1.9326 BFGS: 3217 16:59:58 -1583.270262 1.8769 BFGS: 3218 16:59:58 -1483.885536 22.3310 BFGS: 3219 16:59:58 -1608.135551 11.0084 BFGS: 3220 16:59:58 -1583.194069 2.8847 BFGS: 3221 16:59:58 -1583.228460 2.4694 BFGS: 3222 16:59:58 -1483.909589 22.3145 BFGS: 3223 16:59:58 -1583.258607 2.0688 BFGS: 3224 16:59:58 -1608.162639 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2.3886 BFGS: 5815 17:02:05 -1483.569300 22.8898 BFGS: 5816 17:02:05 -1583.296745 2.2016 BFGS: 5817 17:02:06 -1608.227457 10.5975 BFGS: 5818 17:02:06 -1583.300861 2.1521 BFGS: 5819 17:02:06 -1608.238894 10.5305 BFGS: 5820 17:02:06 -1583.301799 2.1427 BFGS: 5821 17:02:06 -1583.302401 2.1365 BFGS: 5822 17:02:06 -1483.465252 23.0507 BFGS: 5823 17:02:06 -1608.220440 10.6250 BFGS: 5824 17:02:06 -1583.287158 2.3090 BFGS: 5825 17:02:06 -1583.297307 2.2063 BFGS: 5826 17:02:06 -1483.462026 23.0527 BFGS: 5827 17:02:06 -1608.228686 10.5741 BFGS: 5828 17:02:06 -1583.282026 2.3781 BFGS: 5829 17:02:06 -1583.292933 2.2658 BFGS: 5830 17:02:06 -1483.456104 23.0558 BFGS: 5831 17:02:06 -1608.235673 10.5326 BFGS: 5832 17:02:06 -1583.277486 2.4367 BFGS: 5833 17:02:06 -1583.289094 2.3159 BFGS: 5834 17:02:06 -1483.455692 23.0517 BFGS: 5835 17:02:06 -1608.241709 10.4972 BFGS: 5836 17:02:06 -1583.273559 2.4858 BFGS: 5837 17:02:06 -1583.285759 2.3584 BFGS: 5838 17:02:07 -1483.457725 23.0443 BFGS: 5839 17:02:07 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17:02:08 -1608.226165 10.6029 BFGS: 5865 17:02:08 -1608.241414 10.5134 BFGS: 5866 17:02:08 -1582.690094 6.1890 BFGS: 5867 17:02:08 -1583.140863 3.6586 BFGS: 5868 17:02:08 -1483.542037 22.9439 BFGS: 5869 17:02:08 -1583.198111 3.2047 BFGS: 5870 17:02:08 -1583.236649 2.8608 BFGS: 5871 17:02:08 -1483.520752 22.9569 BFGS: 5872 17:02:08 -1583.264071 2.5888 BFGS: 5873 17:02:08 -1583.284082 2.3711 BFGS: 5874 17:02:08 -1483.517834 22.9613 BFGS: 5875 17:02:08 -1583.299204 2.1930 BFGS: 5876 17:02:09 -1608.227872 10.5994 BFGS: 5877 17:02:09 -1583.303309 2.1446 BFGS: 5878 17:02:09 -1608.238431 10.5367 BFGS: 5879 17:02:09 -1583.304260 2.1352 BFGS: 5880 17:02:09 -1608.240775 10.5223 BFGS: 5881 17:02:09 -1608.241509 10.5178 BFGS: 5882 17:02:09 -1582.571969 7.5472 BFGS: 5883 17:02:09 -1583.109821 4.2014 BFGS: 5884 17:02:09 -1483.767867 22.6965 BFGS: 5885 17:02:09 -1583.178604 3.5768 BFGS: 5886 17:02:09 -1583.222878 3.1204 BFGS: 5887 17:02:09 -1483.728671 22.7147 BFGS: 5888 17:02:09 -1583.253535 2.7691 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17:02:25 -1583.377009 1.9225 BFGS: 6210 17:02:25 -1583.378442 1.8723 BFGS: 6211 17:02:25 -1608.234513 11.0299 BFGS: 6212 17:02:25 -1608.297445 10.6665 BFGS: 6213 17:02:25 -1582.532914 11.0353 BFGS: 6214 17:02:25 -1583.175486 6.1144 BFGS: 6215 17:02:25 -1583.362666 2.2355 BFGS: 6216 17:02:25 -1583.372111 1.7533 BFGS: 6217 17:02:25 -1608.123903 11.4063 BFGS: 6218 17:02:25 -1608.288758 10.7035 BFGS: 6219 17:02:25 -1582.286261 12.7467 BFGS: 6220 17:02:25 -1583.066863 7.0640 BFGS: 6221 17:02:25 -1608.241617 10.9161 BFGS: 6222 17:02:25 -1583.228218 5.2293 BFGS: 6223 17:02:26 -1583.289465 4.3248 BFGS: 6224 17:02:26 -1608.109397 11.2880 BFGS: 6225 17:02:26 -1583.325392 3.6896 BFGS: 6226 17:02:26 -1583.344848 3.2710 BFGS: 6227 17:02:26 -1483.189453 23.3378 BFGS: 6228 17:02:26 -1583.356028 2.9837 BFGS: 6229 17:02:26 -1583.363502 2.7721 BFGS: 6230 17:02:26 -1483.188612 23.3251 BFGS: 6231 17:02:26 -1583.368812 2.6046 BFGS: 6232 17:02:26 -1583.372682 2.4689 BFGS: 6233 17:02:26 -1483.186215 23.3247 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BFGS: 6308 17:02:29 -1583.375220 2.3842 BFGS: 6309 17:02:30 -1483.206649 23.3036 BFGS: 6310 17:02:30 -1583.377820 2.2795 BFGS: 6311 17:02:30 -1583.379817 2.1916 BFGS: 6312 17:02:30 -1483.204918 23.3024 BFGS: 6313 17:02:30 -1608.322043 10.5278 BFGS: 6314 17:02:30 -1582.944791 8.2199 BFGS: 6315 17:02:30 -1583.188884 5.7591 BFGS: 6316 17:02:30 -1483.293319 23.2503 BFGS: 6317 17:02:30 -1583.274922 4.5651 BFGS: 6318 17:02:30 -1583.314237 3.8936 BFGS: 6319 17:02:30 -1483.236128 23.2744 BFGS: 6320 17:02:30 -1583.337602 3.4296 BFGS: 6321 17:02:30 -1583.351577 3.1014 BFGS: 6322 17:02:30 -1483.216109 23.2920 BFGS: 6323 17:02:30 -1583.361040 2.8521 BFGS: 6324 17:02:30 -1583.367432 2.6585 BFGS: 6325 17:02:30 -1483.213438 23.2976 BFGS: 6326 17:02:30 -1583.372040 2.5042 BFGS: 6327 17:02:30 -1583.375403 2.3787 BFGS: 6328 17:02:30 -1483.211745 23.2977 BFGS: 6329 17:02:31 -1583.377998 2.2740 BFGS: 6330 17:02:31 -1583.379988 2.1861 BFGS: 6331 17:02:31 -1483.209913 23.2963 BFGS: 6332 17:02:31 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17:02:32 -1608.064678 11.5220 BFGS: 6358 17:02:32 -1608.311843 10.5814 BFGS: 6359 17:02:32 -1582.425287 11.7160 BFGS: 6360 17:02:32 -1583.071834 6.9577 BFGS: 6361 17:02:32 -1608.153550 11.1743 BFGS: 6362 17:02:32 -1583.236814 5.0983 BFGS: 6363 17:02:32 -1583.299507 4.1516 BFGS: 6364 17:02:32 -1608.086823 11.4234 BFGS: 6365 17:02:32 -1583.332272 3.5324 BFGS: 6366 17:02:32 -1583.350323 3.1211 BFGS: 6367 17:02:32 -1483.199000 23.2799 BFGS: 6368 17:02:32 -1583.360775 2.8390 BFGS: 6369 17:02:32 -1583.367768 2.6269 BFGS: 6370 17:02:32 -1483.198283 23.2758 BFGS: 6371 17:02:33 -1583.372729 2.4594 BFGS: 6372 17:02:33 -1583.376332 2.3255 BFGS: 6373 17:02:33 -1483.196183 23.2774 BFGS: 6374 17:02:33 -1583.379099 2.2152 BFGS: 6375 17:02:33 -1583.381211 2.1227 BFGS: 6376 17:02:33 -1483.194586 23.2790 BFGS: 6377 17:02:33 -1608.313496 10.5962 BFGS: 6378 17:02:33 -1582.817872 9.2283 BFGS: 6379 17:02:33 -1583.153652 6.1530 BFGS: 6380 17:02:33 -1483.282653 23.2235 BFGS: 6381 17:02:33 -1583.261630 4.7463 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22.9678 BFGS: 7270 17:03:16 -1583.292712 3.6097 BFGS: 7271 17:03:16 -1583.348020 2.6263 BFGS: 7272 17:03:16 -1483.265325 22.9122 BFGS: 7273 17:03:16 -1583.372895 2.0519 BFGS: 7274 17:03:16 -1583.384848 1.7115 BFGS: 7275 17:03:16 -1483.250164 22.9131 BFGS: 7276 17:03:16 -1608.245926 11.1347 BFGS: 7277 17:03:16 -1582.928079 8.0676 BFGS: 7278 17:03:16 -1583.215114 5.0448 BFGS: 7279 17:03:16 -1458.604405 23.1168 BFGS: 7280 17:03:16 -1478.868188 26.0351 BFGS: 7281 17:03:16 -1483.005945 22.8305 BFGS: 7282 17:03:16 -1582.810773 9.1718 BFGS: 7283 17:03:16 -1583.313454 3.4314 BFGS: 7284 17:03:16 -1458.618438 23.1670 BFGS: 7285 17:03:16 -1482.025045 22.3054 BFGS: 7286 17:03:16 -1483.138615 22.9564 BFGS: 7287 17:03:16 -1582.883405 8.4311 BFGS: 7288 17:03:16 -1583.308055 3.5088 BFGS: 7289 17:03:17 -1458.617418 23.1721 BFGS: 7290 17:03:17 -1481.939306 22.2954 BFGS: 7291 17:03:17 -1483.134397 22.9658 BFGS: 7292 17:03:17 -1582.859811 8.6303 BFGS: 7293 17:03:17 -1583.304885 3.5401 BFGS: 7294 17:03:17 -1458.616532 23.1877 BFGS: 7295 17:03:17 -1481.940754 22.3129 BFGS: 7296 17:03:17 -1483.134475 22.9799 BFGS: 7297 17:03:17 -1582.843604 8.7598 BFGS: 7298 17:03:17 -1583.302311 3.5626 BFGS: 7299 17:03:17 -1458.616900 23.1981 BFGS: 7300 17:03:17 -1481.927103 22.3150 BFGS: 7301 17:03:17 -1483.132933 22.9875 BFGS: 7302 17:03:17 -1582.831003 8.8557 BFGS: 7303 17:03:17 -1583.300308 3.5752 BFGS: 7304 17:03:17 -1458.617696 23.2053 BFGS: 7305 17:03:17 -1481.916979 22.3131 BFGS: 7306 17:03:17 -1483.131722 22.9916 BFGS: 7307 17:03:17 -1582.821214 8.9253 BFGS: 7308 17:03:17 -1583.298599 3.5830 BFGS: 7309 17:03:17 -1458.618660 23.2100 BFGS: 7310 17:03:17 -1481.905948 22.3069 BFGS: 7311 17:03:18 -1483.130518 22.9929 BFGS: 7312 17:03:18 -1582.813335 8.9767 BFGS: 7313 17:03:18 -1583.297140 3.5867 BFGS: 7314 17:03:18 -1458.619719 23.2126 BFGS: 7315 17:03:18 -1481.894349 22.2969 BFGS: 7316 17:03:18 -1483.129362 22.9916 BFGS: 7317 17:03:18 -1582.806887 9.0144 BFGS: 7318 17:03:18 -1583.295882 3.5874 BFGS: 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7368 17:03:20 -1583.288851 3.5086 BFGS: 7369 17:03:20 -1458.628160 23.1201 BFGS: 7370 17:03:20 -1481.713825 21.9923 BFGS: 7371 17:03:20 -1483.116040 22.8461 BFGS: 7372 17:03:20 -1582.768091 8.9853 BFGS: 7373 17:03:20 -1583.288063 3.4999 BFGS: 7374 17:03:20 -1458.627357 23.0989 BFGS: 7375 17:03:21 -1481.709256 21.9574 BFGS: 7376 17:03:21 -1483.116510 22.8230 BFGS: 7377 17:03:21 -1582.763736 8.9347 BFGS: 7378 17:03:21 -1583.286925 3.4970 BFGS: 7379 17:03:21 -1458.625460 23.0752 BFGS: 7380 17:03:21 -1481.720390 21.9274 BFGS: 7381 17:03:21 -1483.118969 22.8005 BFGS: 7382 17:03:21 -1582.756776 8.8565 BFGS: 7383 17:03:21 -1583.285167 3.5109 BFGS: 7384 17:03:21 -1458.621974 23.0524 BFGS: 7385 17:03:21 -1481.731670 21.8937 BFGS: 7386 17:03:21 -1483.122298 22.7797 BFGS: 7387 17:03:21 -1582.744890 8.7574 BFGS: 7388 17:03:21 -1583.282647 3.5605 BFGS: 7389 17:03:21 -1458.618906 23.0433 BFGS: 7390 17:03:21 -1481.613640 21.8094 BFGS: 7391 17:03:21 -1483.113429 22.7487 BFGS: 7392 17:03:21 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21.6904 BFGS: 7491 17:03:26 -1483.146938 22.5567 BFGS: 7492 17:03:26 -1582.798657 8.0964 BFGS: 7493 17:03:26 -1583.291904 3.3047 BFGS: 7494 17:03:26 -1458.639234 22.8976 BFGS: 7495 17:03:26 -1481.968624 21.6947 BFGS: 7496 17:03:26 -1483.150283 22.5549 BFGS: 7497 17:03:26 -1582.804591 8.0508 BFGS: 7498 17:03:26 -1583.292952 3.2921 BFGS: 7499 17:03:26 -1458.641239 22.8950 BFGS: 7500 17:03:26 -1481.992289 21.6991 BFGS: 7501 17:03:26 -1483.153664 22.5534 BFGS: 7502 17:03:26 -1582.810462 8.0051 BFGS: 7503 17:03:26 -1583.293988 3.2798 BFGS: 7504 17:03:26 -1458.643224 22.8927 BFGS: 7505 17:03:26 -1482.015443 21.7036 BFGS: 7506 17:03:26 -1483.157079 22.5522 BFGS: 7507 17:03:26 -1582.816268 7.9594 BFGS: 7508 17:03:27 -1583.295011 3.2679 BFGS: 7509 17:03:27 -1458.645185 22.8907 BFGS: 7510 17:03:27 -1482.038115 21.7082 BFGS: 7511 17:03:27 -1483.160525 22.5512 BFGS: 7512 17:03:27 -1582.822009 7.9138 BFGS: 7513 17:03:27 -1583.296020 3.2563 BFGS: 7514 17:03:27 -1458.647118 22.8888 BFGS: 7515 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17:04:18 -1583.257819 3.7241 BFGS: 8625 17:04:18 -1583.319540 2.8447 BFGS: 8626 17:04:18 -1607.939609 12.4778 BFGS: 8627 17:04:19 -1583.352105 2.2661 BFGS: 8628 17:04:19 -1583.370011 1.8870 BFGS: 8629 17:04:19 -1607.928656 12.5246 BFGS: 8630 17:04:19 -1583.381120 1.6162 BFGS: 8631 17:04:19 -1583.388359 1.5508 BFGS: 8632 17:04:19 -1607.925005 12.5397 BFGS: 8633 17:04:19 -1583.393389 1.5156 BFGS: 8634 17:04:19 -1583.396991 1.4871 BFGS: 8635 17:04:19 -1607.923144 12.5469 BFGS: 8636 17:04:19 -1608.194790 11.5790 BFGS: 8637 17:04:19 -1582.488307 9.6585 BFGS: 8638 17:04:19 -1583.094641 5.4532 BFGS: 8639 17:04:19 -1608.011588 12.2136 BFGS: 8640 17:04:19 -1583.257663 3.7261 BFGS: 8641 17:04:19 -1583.319428 2.8468 BFGS: 8642 17:04:19 -1607.942302 12.4710 BFGS: 8643 17:04:19 -1583.351990 2.2686 BFGS: 8644 17:04:19 -1583.369877 1.8899 BFGS: 8645 17:04:19 -1607.931390 12.5177 BFGS: 8646 17:04:19 -1583.380967 1.6195 BFGS: 8647 17:04:19 -1583.388190 1.5508 BFGS: 8648 17:04:19 -1607.927751 12.5327 BFGS: 8649 17:04:19 -1583.393208 1.5156 BFGS: 8650 17:04:20 -1583.396800 1.4871 BFGS: 8651 17:04:20 -1607.925887 12.5400 BFGS: 8652 17:04:20 -1583.399487 1.4642 BFGS: 8653 17:04:20 -1608.174622 11.6558 BFGS: 8654 17:04:20 -1608.194401 11.5829 BFGS: 8655 17:04:20 -1582.485701 9.6283 BFGS: 8656 17:04:20 -1583.095502 5.4400 BFGS: 8657 17:04:20 -1608.015114 12.1943 BFGS: 8658 17:04:20 -1583.258113 3.7223 BFGS: 8659 17:04:20 -1583.319627 2.8470 BFGS: 8660 17:04:20 -1607.946102 12.4594 BFGS: 8661 17:04:20 -1583.352037 2.2702 BFGS: 8662 17:04:20 -1583.369831 1.8928 BFGS: 8663 17:04:20 -1607.935265 12.5070 BFGS: 8664 17:04:20 -1583.380858 1.6234 BFGS: 8665 17:04:20 -1583.388038 1.5511 BFGS: 8666 17:04:20 -1607.931656 12.5218 BFGS: 8667 17:04:20 -1583.393025 1.5159 BFGS: 8668 17:04:20 -1583.396594 1.4874 BFGS: 8669 17:04:20 -1607.929798 12.5289 BFGS: 8670 17:04:21 -1583.399264 1.4645 BFGS: 8671 17:04:21 -1608.176664 11.6496 BFGS: 8672 17:04:21 -1583.399457 1.4631 BFGS: 8673 17:04:21 -1608.194574 11.5837 BFGS: 8674 17:04:21 -1583.399478 1.4631 BFGS: 8675 17:04:21 -1583.399493 1.4629 BFGS: 8676 17:04:21 -1607.928805 12.5626 BFGS: 8677 17:04:21 -1608.201433 11.5221 BFGS: 8678 17:04:21 -1582.506233 9.3742 BFGS: 8679 17:04:21 -1583.104539 5.1731 BFGS: 8680 17:04:21 -1608.052855 12.2281 BFGS: 8681 17:04:21 -1583.251994 3.6191 BFGS: 8682 17:04:21 -1583.312502 2.7558 BFGS: 8683 17:04:21 -1607.931647 12.5785 BFGS: 8684 17:04:21 -1583.345027 2.2325 BFGS: 8685 17:04:21 -1583.364906 1.8370 BFGS: 8686 17:04:21 -1607.860169 12.7470 BFGS: 8687 17:04:21 -1583.378172 1.5748 BFGS: 8688 17:04:21 -1583.387592 1.5261 BFGS: 8689 17:04:21 -1607.822172 12.8251 BFGS: 8690 17:04:21 -1583.394385 1.4912 BFGS: 8691 17:04:21 -1583.399540 1.4577 BFGS: 8692 17:04:22 -1607.819051 12.8092 BFGS: 8693 17:04:22 -1608.161385 11.6959 BFGS: 8694 17:04:22 -1582.718768 8.0315 BFGS: 8695 17:04:22 -1583.120860 4.9737 BFGS: 8696 17:04:22 -1607.897990 12.5261 BFGS: 8697 17:04:22 -1583.264364 3.4456 BFGS: 8698 17:04:22 -1583.323787 2.6111 BFGS: 8699 17:04:22 -1607.842030 12.7062 BFGS: 8700 17:04:22 -1583.355436 2.0730 BFGS: 8701 17:04:22 -1583.373720 1.7021 BFGS: 8702 17:04:22 -1607.829223 12.7632 BFGS: 8703 17:04:22 -1583.385188 1.5453 BFGS: 8704 17:04:22 -1583.392940 1.5002 BFGS: 8705 17:04:22 -1607.823754 12.7946 BFGS: 8706 17:04:22 -1583.398341 1.4661 BFGS: 8707 17:04:22 -1608.169495 11.6620 BFGS: 8708 17:04:22 -1583.398765 1.4641 BFGS: 8709 17:04:22 -1583.399150 1.4613 BFGS: 8710 17:04:22 -1607.865861 12.7479 BFGS: 8711 17:04:22 -1608.168023 11.6739 BFGS: 8712 17:04:22 -1582.596436 9.0285 BFGS: 8713 17:04:23 -1583.107475 5.2794 BFGS: 8714 17:04:23 -1608.001876 12.3135 BFGS: 8715 17:04:23 -1583.256957 3.6314 BFGS: 8716 17:04:23 -1583.316234 2.7748 BFGS: 8717 17:04:23 -1607.895562 12.6564 BFGS: 8718 17:04:23 -1583.349956 2.1864 BFGS: 8719 17:04:23 -1583.368921 1.7994 BFGS: 8720 17:04:23 -1607.854649 12.7558 BFGS: 8721 17:04:23 -1583.381654 1.5688 BFGS: 8722 17:04:23 -1583.390022 1.5213 BFGS: 8723 17:04:23 -1607.836048 12.7865 BFGS: 8724 17:04:23 -1583.396157 1.4828 BFGS: 8725 17:04:23 -1608.185240 11.6229 BFGS: 8726 17:04:23 -1583.396694 1.4798 BFGS: 8727 17:04:23 -1583.397146 1.4765 BFGS: 8728 17:04:23 -1608.004725 12.1518 BFGS: 8729 17:04:23 -1608.194570 11.5810 BFGS: 8730 17:04:23 -1582.489015 7.4703 BFGS: 8731 17:04:23 -1583.132670 4.2235 BFGS: 8732 17:04:23 -1608.107062 11.7176 BFGS: 8733 17:04:24 -1583.276768 3.1022 BFGS: 8734 17:04:24 -1583.326127 2.5400 BFGS: 8735 17:04:24 -1608.084273 11.7794 BFGS: 8736 17:04:24 -1583.350200 2.1832 BFGS: 8737 17:04:24 -1583.363702 1.9391 BFGS: 8738 17:04:24 -1608.010280 12.0669 BFGS: 8739 17:04:24 -1583.374245 1.7169 BFGS: 8740 17:04:24 -1583.381380 1.5643 BFGS: 8741 17:04:24 -1607.898639 12.5020 BFGS: 8742 17:04:24 -1583.388789 1.5208 BFGS: 8743 17:04:24 -1583.394040 1.4862 BFGS: 8744 17:04:24 -1607.845698 12.7434 BFGS: 8745 17:04:24 -1608.196079 11.5561 BFGS: 8746 17:04:24 -1582.629269 8.7810 BFGS: 8747 17:04:24 -1583.101795 5.2931 BFGS: 8748 17:04:24 -1607.937352 12.4344 BFGS: 8749 17:04:24 -1583.257985 3.6135 BFGS: 8750 17:04:24 -1583.320025 2.7310 BFGS: 8751 17:04:24 -1607.867930 12.6895 BFGS: 8752 17:04:24 -1583.353398 2.1440 BFGS: 8753 17:04:24 -1583.372092 1.7560 BFGS: 8754 17:04:24 -1607.855577 12.7443 BFGS: 8755 17:04:24 -1583.383838 1.5557 BFGS: 8756 17:04:25 -1583.391567 1.5080 BFGS: 8757 17:04:25 -1607.851444 12.7607 BFGS: 8758 17:04:25 -1583.396975 1.4718 BFGS: 8759 17:04:25 -1608.182089 11.6357 BFGS: 8760 17:04:25 -1583.397413 1.4695 BFGS: 8761 17:04:25 -1583.397791 1.4667 BFGS: 8762 17:04:25 -1607.855381 12.7641 BFGS: 8763 17:04:25 -1608.176963 11.6548 BFGS: 8764 17:04:25 -1582.613107 8.8807 BFGS: 8765 17:04:25 -1583.104017 5.2556 BFGS: 8766 17:04:25 -1607.946755 12.4461 BFGS: 8767 17:04:25 -1583.259139 3.5812 BFGS: 8768 17:04:25 -1583.320547 2.7073 BFGS: 8769 17:04:25 -1607.877386 12.6768 BFGS: 8770 17:04:25 -1583.353531 2.1316 BFGS: 8771 17:04:25 -1583.371993 1.7514 BFGS: 8772 17:04:25 -1607.864046 12.7191 BFGS: 8773 17:04:25 -1583.383618 1.5640 BFGS: 8774 17:04:25 -1583.391266 1.5189 BFGS: 8775 17:04:26 -1607.858760 12.7344 BFGS: 8776 17:04:26 -1583.396641 1.4833 BFGS: 8777 17:04:26 -1608.185102 11.6276 BFGS: 8778 17:04:26 -1583.397080 1.4802 BFGS: 8779 17:04:26 -1583.397459 1.4767 BFGS: 8780 17:04:26 -1607.878462 12.6690 BFGS: 8781 17:04:26 -1608.181305 11.6403 BFGS: 8782 17:04:26 -1582.606296 8.6989 BFGS: 8783 17:04:26 -1583.107465 5.1222 BFGS: 8784 17:04:26 -1607.957329 12.3643 BFGS: 8785 17:04:26 -1583.262241 3.5124 BFGS: 8786 17:04:26 -1583.322430 2.6758 BFGS: 8787 17:04:26 -1607.904485 12.5429 BFGS: 8788 17:04:26 -1583.353949 2.1310 BFGS: 8789 17:04:26 -1583.371588 1.7683 BFGS: 8790 17:04:26 -1607.886996 12.6250 BFGS: 8791 17:04:26 -1583.382857 1.5566 BFGS: 8792 17:04:26 -1583.390288 1.5048 BFGS: 8793 17:04:26 -1607.872504 12.6933 BFGS: 8794 17:04:27 -1583.395704 1.4655 BFGS: 8795 17:04:27 -1608.192335 11.6003 BFGS: 8796 17:04:27 -1583.396174 1.4643 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-1583.337780 2.4056 BFGS: 8822 17:04:28 -1607.925984 12.4907 BFGS: 8823 17:04:28 -1583.362048 1.9610 BFGS: 8824 17:04:28 -1583.376130 1.6607 BFGS: 8825 17:04:28 -1607.907331 12.5705 BFGS: 8826 17:04:28 -1583.385423 1.5684 BFGS: 8827 17:04:28 -1583.391676 1.5335 BFGS: 8828 17:04:28 -1607.889805 12.6352 BFGS: 8829 17:04:28 -1583.396385 1.5018 BFGS: 8830 17:04:28 -1608.188792 11.6161 BFGS: 8831 17:04:28 -1583.396801 1.4973 BFGS: 8832 17:04:28 -1583.397155 1.4928 BFGS: 8833 17:04:28 -1607.983565 12.3475 BFGS: 8834 17:04:28 -1583.399816 1.4578 BFGS: 8835 17:04:29 -1608.172755 11.6783 BFGS: 8836 17:04:29 -1608.189378 11.6174 BFGS: 8837 17:04:29 -1582.362007 9.1284 BFGS: 8838 17:04:29 -1583.109127 4.8106 BFGS: 8839 17:04:29 -1608.056271 12.0519 BFGS: 8840 17:04:29 -1583.272876 3.2856 BFGS: 8841 17:04:29 -1583.329010 2.5465 BFGS: 8842 17:04:29 -1608.031025 12.1552 BFGS: 8843 17:04:29 -1583.356059 2.0891 BFGS: 8844 17:04:29 -1583.370569 1.7907 BFGS: 8845 17:04:29 -1608.018158 12.2167 BFGS: 8846 17:04:29 -1583.379630 1.5791 BFGS: 8847 17:04:29 -1583.385589 1.5240 BFGS: 8848 17:04:29 -1607.978637 12.3612 BFGS: 8849 17:04:29 -1583.390464 1.4802 BFGS: 8850 17:04:29 -1583.394003 1.4457 BFGS: 8851 17:04:29 -1607.923776 12.5535 BFGS: 8852 17:04:29 -1583.397473 1.4163 BFGS: 8853 17:04:29 -1608.182084 11.6524 BFGS: 8854 17:04:30 -1583.397856 1.4187 BFGS: 8855 17:04:30 -1583.398168 1.4199 BFGS: 8856 17:04:30 -1608.113050 11.8878 BFGS: 8857 17:04:30 -1583.399560 1.4286 BFGS: 8858 17:04:30 -1608.184849 11.6416 BFGS: 8859 17:04:30 -1583.399704 1.4317 BFGS: 8860 17:04:30 -1583.399810 1.4339 BFGS: 8861 17:04:30 -1608.173587 11.6738 BFGS: 8862 17:04:30 -1608.189260 11.6246 BFGS: 8863 17:04:30 -1458.521678 22.7981 BFGS: 8864 17:04:30 -1583.385783 1.3716 BFGS: 8865 17:04:30 -1583.396591 1.4165 BFGS: 8866 17:04:30 -1583.399644 1.4969 BFGS: 8867 17:04:30 -1608.181529 11.6715 BFGS: 8868 17:04:30 -1608.186882 11.6129 BFGS: 8869 17:04:30 -1583.364986 1.4942 BFGS: 8870 17:04:30 -1583.388913 1.3566 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-1583.081915 5.2257 BFGS: 9661 17:05:09 -1608.096959 12.1832 BFGS: 9662 17:05:09 -1583.258765 3.4073 BFGS: 9663 17:05:09 -1583.317650 2.5703 BFGS: 9664 17:05:09 -1608.017403 12.4686 BFGS: 9665 17:05:09 -1583.348526 2.0358 BFGS: 9666 17:05:09 -1583.365324 1.6996 BFGS: 9667 17:05:09 -1607.946139 12.6298 BFGS: 9668 17:05:09 -1583.377769 1.5196 BFGS: 9669 17:05:09 -1583.385832 1.4644 BFGS: 9670 17:05:09 -1607.891279 12.7119 BFGS: 9671 17:05:09 -1583.392583 1.4233 BFGS: 9672 17:05:09 -1583.397271 1.3900 BFGS: 9673 17:05:09 -1607.876852 12.7011 BFGS: 9674 17:05:09 -1608.168630 11.7616 BFGS: 9675 17:05:09 -1455.396524 25.4647 BFGS: 9676 17:05:09 -1583.285892 2.8500 BFGS: 9677 17:05:09 -1583.342739 2.1438 BFGS: 9678 17:05:09 -1607.910713 12.4730 BFGS: 9679 17:05:10 -1583.365917 1.7420 BFGS: 9680 17:05:10 -1583.379452 1.5429 BFGS: 9681 17:05:10 -1607.882263 12.6708 BFGS: 9682 17:05:10 -1583.388594 1.4873 BFGS: 9683 17:05:10 -1583.394704 1.4413 BFGS: 9684 17:05:10 -1607.874728 12.7377 BFGS: 9685 17:05:10 -1583.399107 1.4016 BFGS: 9686 17:05:10 -1608.158053 11.7821 BFGS: 9687 17:05:10 -1583.399468 1.3973 BFGS: 9688 17:05:10 -1583.399777 1.3931 BFGS: 9689 17:05:10 -1607.940167 12.6805 BFGS: 9690 17:05:10 -1608.159157 11.7946 BFGS: 9691 17:05:10 -1582.170071 11.2069 BFGS: 9692 17:05:10 -1583.078216 5.4003 BFGS: 9693 17:05:10 -1608.045503 12.3616 BFGS: 9694 17:05:10 -1583.258200 3.4812 BFGS: 9695 17:05:10 -1583.320004 2.5789 BFGS: 9696 17:05:10 -1607.977299 12.6229 BFGS: 9697 17:05:10 -1583.351654 2.0089 BFGS: 9698 17:05:10 -1583.368777 1.6486 BFGS: 9699 17:05:10 -1607.935190 12.7130 BFGS: 9700 17:05:10 -1583.380346 1.5123 BFGS: 9701 17:05:11 -1583.387866 1.4540 BFGS: 9702 17:05:11 -1607.896729 12.7620 BFGS: 9703 17:05:11 -1583.393839 1.4103 BFGS: 9704 17:05:11 -1583.398049 1.3753 BFGS: 9705 17:05:11 -1607.879983 12.7504 BFGS: 9706 17:05:11 -1608.163777 11.8029 BFGS: 9707 17:05:11 -1455.290962 25.6195 BFGS: 9708 17:05:11 -1583.284443 2.8962 BFGS: 9709 17:05:11 -1583.342812 2.1400 BFGS: 9710 17:05:11 -1607.911810 12.5292 BFGS: 9711 17:05:11 -1583.365956 1.7302 BFGS: 9712 17:05:11 -1583.379458 1.5339 BFGS: 9713 17:05:11 -1607.886203 12.6967 BFGS: 9714 17:05:11 -1583.388518 1.4778 BFGS: 9715 17:05:11 -1583.394566 1.4317 BFGS: 9716 17:05:11 -1607.880694 12.7343 BFGS: 9717 17:05:11 -1583.398895 1.3940 BFGS: 9718 17:05:11 -1608.159884 11.7883 BFGS: 9719 17:05:11 -1583.399248 1.3911 BFGS: 9720 17:05:11 -1583.399551 1.3879 BFGS: 9721 17:05:11 -1607.934516 12.6130 BFGS: 9722 17:05:11 -1608.160000 11.7936 BFGS: 9723 17:05:12 -1454.874451 26.0142 BFGS: 9724 17:05:12 -1583.280129 3.0173 BFGS: 9725 17:05:12 -1583.345356 2.1122 BFGS: 9726 17:05:12 -1607.959425 12.5002 BFGS: 9727 17:05:12 -1583.366833 1.7157 BFGS: 9728 17:05:12 -1583.379133 1.5384 BFGS: 9729 17:05:12 -1607.937827 12.5832 BFGS: 9730 17:05:12 -1583.387330 1.4822 BFGS: 9731 17:05:12 -1583.392843 1.4380 BFGS: 9732 17:05:12 -1607.909569 12.6520 BFGS: 9733 17:05:12 -1583.397183 1.4022 BFGS: 9734 17:05:12 -1583.400343 1.3727 BFGS: 9735 17:05:12 -1607.887856 12.7050 BFGS: 9736 17:05:12 -1608.148961 11.8299 BFGS: 9737 17:05:12 -1455.262682 25.6734 BFGS: 9738 17:05:12 -1583.289117 2.8708 BFGS: 9739 17:05:12 -1583.345088 2.1158 BFGS: 9740 17:05:12 -1607.911300 12.5440 BFGS: 9741 17:05:12 -1583.367279 1.7152 BFGS: 9742 17:05:12 -1583.380285 1.5345 BFGS: 9743 17:05:13 -1607.890647 12.6847 BFGS: 9744 17:05:13 -1583.388946 1.4774 BFGS: 9745 17:05:13 -1583.394754 1.4312 BFGS: 9746 17:05:13 -1607.885338 12.7220 BFGS: 9747 17:05:13 -1583.398924 1.3937 BFGS: 9748 17:05:13 -1608.159772 11.7854 BFGS: 9749 17:05:13 -1583.399264 1.3908 BFGS: 9750 17:05:13 -1583.399555 1.3877 BFGS: 9751 17:05:13 -1607.933599 12.6450 BFGS: 9752 17:05:13 -1608.159447 11.7954 BFGS: 9753 17:05:13 -1582.278435 10.0954 BFGS: 9754 17:05:13 -1583.092253 5.0603 BFGS: 9755 17:05:13 -1608.034868 12.3046 BFGS: 9756 17:05:13 -1583.264022 3.3257 BFGS: 9757 17:05:13 -1583.323963 2.4945 BFGS: 9758 17:05:13 -1607.974017 12.5296 BFGS: 9759 17:05:13 -1583.354443 1.9658 BFGS: 9760 17:05:13 -1583.370876 1.6276 BFGS: 9761 17:05:13 -1607.947738 12.6084 BFGS: 9762 17:05:14 -1583.381478 1.5235 BFGS: 9763 17:05:14 -1583.388395 1.4678 BFGS: 9764 17:05:14 -1607.914268 12.6958 BFGS: 9765 17:05:14 -1583.393828 1.4223 BFGS: 9766 17:05:14 -1583.397699 1.3861 BFGS: 9767 17:05:14 -1607.890102 12.7463 BFGS: 9768 17:05:14 -1583.400964 1.3555 BFGS: 9769 17:05:14 -1608.143031 11.8739 BFGS: 9770 17:05:14 -1608.164291 11.7971 BFGS: 9771 17:05:14 -1455.125063 25.8516 BFGS: 9772 17:05:14 -1583.282728 2.9727 BFGS: 9773 17:05:14 -1583.342707 2.1602 BFGS: 9774 17:05:14 -1607.918730 12.5613 BFGS: 9775 17:05:14 -1583.365793 1.7394 BFGS: 9776 17:05:14 -1583.379216 1.5367 BFGS: 9777 17:05:14 -1607.896385 12.7064 BFGS: 9778 17:05:14 -1583.388149 1.4771 BFGS: 9779 17:05:14 -1583.394101 1.4291 BFGS: 9780 17:05:14 -1607.892179 12.7258 BFGS: 9781 17:05:14 -1583.398343 1.3916 BFGS: 9782 17:05:15 -1608.164448 11.7838 BFGS: 9783 17:05:15 -1583.398690 1.3895 BFGS: 9784 17:05:15 -1583.398988 1.3869 BFGS: 9785 17:05:15 -1607.943404 12.5388 BFGS: 9786 17:05:15 -1608.164363 11.7828 BFGS: 9787 17:05:15 -1454.963823 25.7773 BFGS: 9788 17:05:15 -1583.285018 2.8541 BFGS: 9789 17:05:15 -1583.347067 2.0398 BFGS: 9790 17:05:15 -1607.968775 12.4074 BFGS: 9791 17:05:15 -1583.367872 1.6804 BFGS: 9792 17:05:15 -1583.379728 1.5395 BFGS: 9793 17:05:15 -1607.954564 12.4752 BFGS: 9794 17:05:15 -1583.387451 1.4881 BFGS: 9795 17:05:15 -1583.392641 1.4473 BFGS: 9796 17:05:15 -1607.929052 12.5664 BFGS: 9797 17:05:15 -1583.396702 1.4121 BFGS: 9798 17:05:15 -1583.399672 1.3829 BFGS: 9799 17:05:15 -1607.902825 12.6625 BFGS: 9800 17:05:15 -1608.154729 11.8078 BFGS: 9801 17:05:15 -1455.137798 25.7932 BFGS: 9802 17:05:15 -1583.287977 2.8996 BFGS: 9803 17:05:16 -1583.344882 2.1210 BFGS: 9804 17:05:16 -1607.921731 12.5341 BFGS: 9805 17:05:16 -1583.367000 1.7208 BFGS: 9806 17:05:16 -1583.379896 1.5396 BFGS: 9807 17:05:16 -1607.903346 12.6577 BFGS: 9808 17:05:16 -1583.388430 1.4807 BFGS: 9809 17:05:16 -1583.394146 1.4336 BFGS: 9810 17:05:16 -1607.896970 12.6972 BFGS: 9811 17:05:16 -1583.398270 1.3958 BFGS: 9812 17:05:16 -1608.165010 11.7732 BFGS: 9813 17:05:16 -1583.398610 1.3931 BFGS: 9814 17:05:16 -1583.398902 1.3900 BFGS: 9815 17:05:16 -1607.957835 12.5623 BFGS: 9816 17:05:16 -1608.165766 11.7783 BFGS: 9817 17:05:16 -1582.186511 10.1776 BFGS: 9818 17:05:16 -1583.094909 4.9268 BFGS: 9819 17:05:16 -1608.065899 12.1853 BFGS: 9820 17:05:16 -1583.266921 3.2539 BFGS: 9821 17:05:16 -1583.325196 2.4653 BFGS: 9822 17:05:16 -1608.005375 12.4106 BFGS: 9823 17:05:16 -1583.354611 1.9629 BFGS: 9824 17:05:17 -1583.370292 1.6424 BFGS: 9825 17:05:17 -1607.979277 12.4999 BFGS: 9826 17:05:17 -1583.380390 1.5354 BFGS: 9827 17:05:17 -1583.386974 1.4812 BFGS: 9828 17:05:17 -1607.939162 12.6233 BFGS: 9829 17:05:17 -1583.392321 1.4349 BFGS: 9830 17:05:17 -1583.396138 1.3983 BFGS: 9831 17:05:17 -1607.904886 12.7160 BFGS: 9832 17:05:17 -1583.399530 1.3655 BFGS: 9833 17:05:17 -1608.153986 11.8425 BFGS: 9834 17:05:17 -1583.399880 1.3646 BFGS: 9835 17:05:17 -1583.400164 1.3631 BFGS: 9836 17:05:17 -1608.100510 11.9672 BFGS: 9837 17:05:17 -1608.165923 11.7896 BFGS: 9838 17:05:17 -1457.422836 23.8039 BFGS: 9839 17:05:17 -1583.359976 1.5512 BFGS: 9840 17:05:17 -1583.383288 1.4615 BFGS: 9841 17:05:17 -1608.134253 11.8201 BFGS: 9842 17:05:17 -1583.389318 1.4457 BFGS: 9843 17:05:17 -1583.392496 1.4325 BFGS: 9844 17:05:17 -1608.146835 11.7835 BFGS: 9845 17:05:17 -1583.394259 1.4256 BFGS: 9846 17:05:18 -1583.395432 1.4189 BFGS: 9847 17:05:18 -1608.136702 11.8182 BFGS: 9848 17:05:18 -1583.396411 1.4127 BFGS: 9849 17:05:18 -1583.397162 1.4068 BFGS: 9850 17:05:18 -1608.092012 11.9683 BFGS: 9851 17:05:18 -1583.398243 1.3975 BFGS: 9852 17:05:18 -1583.399113 1.3890 BFGS: 9853 17:05:18 -1608.006342 12.2690 BFGS: 9854 17:05:18 -1608.168323 11.7532 BFGS: 9855 17:05:18 -1454.938065 25.6781 BFGS: 9856 17:05:18 -1583.290557 2.6421 BFGS: 9857 17:05:18 -1583.352217 1.9160 BFGS: 9858 17:05:18 -1608.028555 12.1424 BFGS: 9859 17:05:18 -1583.369608 1.6356 BFGS: 9860 17:05:18 -1583.379516 1.5431 BFGS: 9861 17:05:18 -1608.010170 12.2354 BFGS: 9862 17:05:18 -1583.386146 1.5006 BFGS: 9863 17:05:18 -1583.390641 1.4663 BFGS: 9864 17:05:18 -1607.969325 12.3958 BFGS: 9865 17:05:18 -1583.394522 1.4332 BFGS: 9866 17:05:18 -1583.397379 1.4058 BFGS: 9867 17:05:18 -1607.921919 12.5831 BFGS: 9868 17:05:19 -1608.171206 11.7391 BFGS: 9869 17:05:19 -1455.021994 25.8715 BFGS: 9870 17:05:19 -1583.285657 2.9191 BFGS: 9871 17:05:19 -1583.343647 2.1373 BFGS: 9872 17:05:19 -1607.936289 12.4822 BFGS: 9873 17:05:19 -1583.365972 1.7399 BFGS: 9874 17:05:19 -1583.378899 1.5488 BFGS: 9875 17:05:19 -1607.916213 12.6082 BFGS: 9876 17:05:19 -1583.387492 1.4884 BFGS: 9877 17:05:19 -1583.393234 1.4407 BFGS: 9878 17:05:19 -1607.905653 12.6659 BFGS: 9879 17:05:19 -1583.397459 1.4016 BFGS: 9880 17:05:19 -1583.400519 1.3694 BFGS: 9881 17:05:19 -1607.900874 12.6956 BFGS: 9882 17:05:19 -1608.147537 11.8371 BFGS: 9883 17:05:19 -1455.022736 25.9313 BFGS: 9884 17:05:19 -1583.288249 2.9262 BFGS: 9885 17:05:19 -1583.345688 2.1175 BFGS: 9886 17:05:19 -1607.921153 12.5730 BFGS: 9887 17:05:19 -1583.367658 1.7103 BFGS: 9888 17:05:20 -1583.380436 1.5361 BFGS: 9889 17:05:20 -1607.907961 12.6765 BFGS: 9890 17:05:20 -1583.388763 1.4750 BFGS: 9891 17:05:20 -1583.394332 1.4267 BFGS: 9892 17:05:20 -1607.905889 12.6952 BFGS: 9893 17:05:20 -1583.398271 1.3890 BFGS: 9894 17:05:20 -1608.165654 11.7816 BFGS: 9895 17:05:20 -1583.398584 1.3865 BFGS: 9896 17:05:20 -1583.398856 1.3838 BFGS: 9897 17:05:20 -1607.912564 12.7071 BFGS: 9898 17:05:20 -1608.162030 11.7982 BFGS: 9899 17:05:20 -1582.374842 9.6851 BFGS: 9900 17:05:20 -1583.092227 5.0540 BFGS: 9901 17:05:20 -1607.995368 12.4262 BFGS: 9902 17:05:20 -1583.262664 3.3162 BFGS: 9903 17:05:20 -1583.324342 2.4669 BFGS: 9904 17:05:20 -1607.932037 12.6439 BFGS: 9905 17:05:20 -1583.356039 1.9252 BFGS: 9906 17:05:20 -1583.373212 1.5897 BFGS: 9907 17:05:20 -1607.919051 12.6818 BFGS: 9908 17:05:20 -1583.383859 1.5122 BFGS: 9909 17:05:20 -1583.390757 1.4544 BFGS: 9910 17:05:21 -1607.910714 12.6977 BFGS: 9911 17:05:21 -1583.395633 1.4097 BFGS: 9912 17:05:21 -1583.399108 1.3739 BFGS: 9913 17:05:21 -1607.905696 12.7010 BFGS: 9914 17:05:21 -1608.158990 11.8188 BFGS: 9915 17:05:21 -1454.967548 25.9757 BFGS: 9916 17:05:21 -1583.285767 2.9354 BFGS: 9917 17:05:21 -1583.344447 2.1210 BFGS: 9918 17:05:21 -1607.926041 12.5637 BFGS: 9919 17:05:21 -1583.366833 1.7129 BFGS: 9920 17:05:21 -1583.379798 1.5347 BFGS: 9921 17:05:21 -1607.911343 12.6661 BFGS: 9922 17:05:21 -1583.388256 1.4739 BFGS: 9923 17:05:21 -1583.393898 1.4258 BFGS: 9924 17:05:21 -1607.908118 12.6862 BFGS: 9925 17:05:21 -1583.397901 1.3885 BFGS: 9926 17:05:21 -1583.400807 1.3575 BFGS: 9927 17:05:21 -1607.906731 12.6903 BFGS: 9928 17:05:21 -1608.146195 11.8584 BFGS: 9929 17:05:21 -1454.983776 25.9470 BFGS: 9930 17:05:21 -1583.289560 2.8946 BFGS: 9931 17:05:22 -1583.346235 2.0926 BFGS: 9932 17:05:22 -1607.924609 12.5735 BFGS: 9933 17:05:22 -1583.367882 1.6938 BFGS: 9934 17:05:22 -1583.380478 1.5321 BFGS: 9935 17:05:22 -1607.912447 12.6616 BFGS: 9936 17:05:22 -1583.388668 1.4720 BFGS: 9937 17:05:22 -1583.394151 1.4245 BFGS: 9938 17:05:22 -1607.909903 12.6802 BFGS: 9939 17:05:22 -1583.398039 1.3876 BFGS: 9940 17:05:22 -1583.400868 1.3569 BFGS: 9941 17:05:22 -1607.908559 12.6856 BFGS: 9942 17:05:22 -1608.145673 11.8599 BFGS: 9943 17:05:22 -1454.970284 25.9642 BFGS: 9944 17:05:22 -1583.289566 2.8997 BFGS: 9945 17:05:22 -1583.346316 2.0940 BFGS: 9946 17:05:22 -1607.926133 12.5717 BFGS: 9947 17:05:22 -1583.367880 1.6955 BFGS: 9948 17:05:22 -1583.380428 1.5327 BFGS: 9949 17:05:22 -1607.914087 12.6591 BFGS: 9950 17:05:22 -1583.388587 1.4724 BFGS: 9951 17:05:22 -1583.394050 1.4248 BFGS: 9952 17:05:22 -1607.911542 12.6779 BFGS: 9953 17:05:23 -1583.397924 1.3877 BFGS: 9954 17:05:23 -1583.400743 1.3570 BFGS: 9955 17:05:23 -1607.910245 12.6829 BFGS: 9956 17:05:23 -1608.146563 11.8578 BFGS: 9957 17:05:23 -1454.954501 25.9797 BFGS: 9958 17:05:23 -1583.289178 2.9079 BFGS: 9959 17:05:23 -1583.346207 2.0970 BFGS: 9960 17:05:23 -1607.927687 12.5701 BFGS: 9961 17:05:23 -1583.367775 1.6980 BFGS: 9962 17:05:23 -1583.380318 1.5333 BFGS: 9963 17:05:23 -1607.915824 12.6565 BFGS: 9964 17:05:23 -1583.388467 1.4727 BFGS: 9965 17:05:23 -1583.393921 1.4250 BFGS: 9966 17:05:23 -1607.913306 12.6753 BFGS: 9967 17:05:23 -1583.397788 1.3879 BFGS: 9968 17:05:23 -1583.400602 1.3571 BFGS: 9969 17:05:23 -1607.912025 12.6798 BFGS: 9970 17:05:23 -1608.147593 11.8558 BFGS: 9971 17:05:23 -1454.938955 25.9934 BFGS: 9972 17:05:23 -1583.288843 2.9138 BFGS: 9973 17:05:23 -1583.346101 2.0989 BFGS: 9974 17:05:23 -1607.929250 12.5684 BFGS: 9975 17:05:24 -1583.367673 1.6996 BFGS: 9976 17:05:24 -1583.380209 1.5337 BFGS: 9977 17:05:24 -1607.917602 12.6530 BFGS: 9978 17:05:24 -1583.388347 1.4730 BFGS: 9979 17:05:24 -1583.393792 1.4252 BFGS: 9980 17:05:24 -1607.915075 12.6716 BFGS: 9981 17:05:24 -1583.397651 1.3881 BFGS: 9982 17:05:24 -1583.400459 1.3573 BFGS: 9983 17:05:24 -1607.913779 12.6759 BFGS: 9984 17:05:24 -1608.148624 11.8535 BFGS: 9985 17:05:24 -1454.925547 26.0041 BFGS: 9986 17:05:24 -1583.288601 2.9173 BFGS: 9987 17:05:24 -1583.346012 2.0998 BFGS: 9988 17:05:24 -1607.930739 12.5660 BFGS: 9989 17:05:24 -1583.367581 1.7008 BFGS: 9990 17:05:24 -1583.380108 1.5341 BFGS: 9991 17:05:24 -1607.919316 12.6487 BFGS: 9992 17:05:24 -1583.388232 1.4732 BFGS: 9993 17:05:24 -1583.393668 1.4254 BFGS: 9994 17:05:24 -1607.916789 12.6673 BFGS: 9995 17:05:24 -1583.397520 1.3884 BFGS: 9996 17:05:24 -1583.400322 1.3576 BFGS: 9997 17:05:25 -1607.915494 12.6716 BFGS: 9998 17:05:25 -1608.149616 11.8512 BFGS: 9999 17:05:25 -1454.913080 26.0139 BFGS: 10000 17:05:25 -1583.288396 2.9201 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 2.845081727069712 eV/Angstrom Maximum stress component: 0.06866710757187972 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 6.14587486e-01 4.30025809e-02] [0.00000000e+00 3.85412514e-01 4.30025809e-02] [1.46069698e-28 6.14587486e-01 9.56997419e-01] [0.00000000e+00 3.85412514e-01 9.56997419e-01] [5.00000000e-01 1.14587486e-01 5.43002581e-01] [5.00000000e-01 8.85412514e-01 5.43002581e-01] [5.00000000e-01 1.14587486e-01 4.56997419e-01] [5.00000000e-01 8.85412514e-01 4.56997419e-01] [7.97332447e-01 9.31462819e-01 1.94349764e-16] [2.02667553e-01 6.85371812e-02 1.94349764e-16] [2.02667553e-01 9.31462819e-01 1.94349764e-16] [7.97332447e-01 6.85371812e-02 1.94349764e-16] [2.97332447e-01 4.31462819e-01 5.00000000e-01] [7.02667553e-01 5.68537181e-01 5.00000000e-01] [7.02667553e-01 4.31462819e-01 5.00000000e-01] [2.97332447e-01 5.68537181e-01 5.00000000e-01] [8.63490084e-01 0.00000000e+00 2.62334712e-01] [1.36509916e-01 0.00000000e+00 2.62334712e-01] [1.36509916e-01 0.00000000e+00 7.37665288e-01] [8.63490084e-01 0.00000000e+00 7.37665288e-01] [3.63490084e-01 5.00000000e-01 7.62334712e-01] [6.36509916e-01 5.00000000e-01 7.62334712e-01] [6.36509916e-01 5.00000000e-01 2.37665288e-01] [3.63490084e-01 5.00000000e-01 2.37665288e-01] [2.67444399e-01 3.93391288e-01 7.11170412e-01] [7.32555601e-01 6.06608712e-01 7.11170412e-01] [7.32555601e-01 3.93391288e-01 2.88829588e-01] [2.67444399e-01 6.06608712e-01 2.88829588e-01] [7.67444399e-01 8.93391288e-01 2.11170412e-01] [2.32555601e-01 1.06608712e-01 2.11170412e-01] [2.32555601e-01 8.93391288e-01 7.88829588e-01] [7.67444399e-01 1.06608712e-01 7.88829588e-01] [7.32555601e-01 6.06608712e-01 2.88829588e-01] [2.67444399e-01 3.93391288e-01 2.88829588e-01] [2.67444399e-01 6.06608712e-01 7.11170412e-01] [7.32555601e-01 3.93391288e-01 7.11170412e-01] [2.32555601e-01 1.06608712e-01 7.88829588e-01] [7.67444399e-01 8.93391288e-01 7.88829588e-01] [7.67444399e-01 1.06608712e-01 2.11170412e-01] [2.32555601e-01 8.93391288e-01 2.11170412e-01] [3.19612128e-01 3.98570949e-01 8.21317587e-01] [6.80387872e-01 6.01429051e-01 8.21317587e-01] [6.80387872e-01 3.98570949e-01 1.78682413e-01] [3.19612128e-01 6.01429051e-01 1.78682413e-01] [8.19612128e-01 8.98570949e-01 3.21317587e-01] [1.80387872e-01 1.01429051e-01 3.21317587e-01] [1.80387872e-01 8.98570949e-01 6.78682413e-01] [8.19612128e-01 1.01429051e-01 6.78682413e-01] [6.80387872e-01 6.01429051e-01 1.78682413e-01] [3.19612128e-01 3.98570949e-01 1.78682413e-01] [3.19612128e-01 6.01429051e-01 8.21317587e-01] [6.80387872e-01 3.98570949e-01 8.21317587e-01] [1.80387872e-01 1.01429051e-01 6.78682413e-01] [8.19612128e-01 8.98570949e-01 6.78682413e-01] [8.19612128e-01 1.01429051e-01 3.21317587e-01] [1.80387872e-01 8.98570949e-01 3.21317587e-01] [3.12716114e-01 3.35245413e-01 6.11720932e-01] [6.87283886e-01 6.64754587e-01 6.11720932e-01] [6.87283886e-01 3.35245413e-01 3.88279068e-01] [3.12716114e-01 6.64754587e-01 3.88279068e-01] [8.12716114e-01 8.35245413e-01 1.11720932e-01] [1.87283886e-01 1.64754587e-01 1.11720932e-01] [1.87283886e-01 8.35245413e-01 8.88279068e-01] [8.12716114e-01 1.64754587e-01 8.88279068e-01] [6.87283886e-01 6.64754587e-01 3.88279068e-01] [3.12716114e-01 3.35245413e-01 3.88279068e-01] [3.12716114e-01 6.64754587e-01 6.11720932e-01] [6.87283886e-01 3.35245413e-01 6.11720932e-01] [1.87283886e-01 1.64754587e-01 8.88279068e-01] [8.12716114e-01 8.35245413e-01 8.88279068e-01] [8.12716114e-01 1.64754587e-01 1.11720932e-01] [1.87283886e-01 8.35245413e-01 1.11720932e-01] [4.39484198e-01 3.07524587e-01 6.37877406e-01] [5.60515802e-01 6.92475413e-01 6.37877406e-01] [5.60515802e-01 3.07524587e-01 3.62122594e-01] [4.39484198e-01 6.92475413e-01 3.62122594e-01] [9.39484198e-01 8.07524587e-01 1.37877406e-01] [6.05158019e-02 1.92475413e-01 1.37877406e-01] [6.05158019e-02 8.07524587e-01 8.62122594e-01] [9.39484198e-01 1.92475413e-01 8.62122594e-01] [5.60515802e-01 6.92475413e-01 3.62122594e-01] [4.39484198e-01 3.07524587e-01 3.62122594e-01] [4.39484198e-01 6.92475413e-01 6.37877406e-01] [5.60515802e-01 3.07524587e-01 6.37877406e-01] [6.05158019e-02 1.92475413e-01 8.62122594e-01] [9.39484198e-01 8.07524587e-01 8.62122594e-01] [9.39484198e-01 1.92475413e-01 1.37877406e-01] [6.05158019e-02 8.07524587e-01 1.37877406e-01] [2.97442558e-01 1.19070497e-01 5.40717380e-01] [7.02557442e-01 8.80929503e-01 5.40717380e-01] [7.02557442e-01 1.19070497e-01 4.59282620e-01] [2.97442558e-01 8.80929503e-01 4.59282620e-01] [7.97442558e-01 6.19070497e-01 4.07173798e-02] [2.02557442e-01 3.80929503e-01 4.07173798e-02] [2.02557442e-01 6.19070497e-01 9.59282620e-01] [7.97442558e-01 3.80929503e-01 9.59282620e-01] [7.02557442e-01 8.80929503e-01 4.59282620e-01] [2.97442558e-01 1.19070497e-01 4.59282620e-01] [2.97442558e-01 8.80929503e-01 5.40717380e-01] [7.02557442e-01 1.19070497e-01 5.40717380e-01] [2.02557442e-01 3.80929503e-01 9.59282620e-01] [7.97442558e-01 6.19070497e-01 9.59282620e-01] [7.97442558e-01 3.80929503e-01 4.07173798e-02] [2.02557442e-01 6.19070497e-01 4.07173798e-02] [4.25051669e-01 2.55735723e-01 6.92788541e-01] [5.74948331e-01 7.44264277e-01 6.92788541e-01] [5.74948331e-01 2.55735723e-01 3.07211459e-01] [4.25051669e-01 7.44264277e-01 3.07211459e-01] [9.25051669e-01 7.55735723e-01 1.92788541e-01] [7.49483309e-02 2.44264277e-01 1.92788541e-01] [7.49483309e-02 7.55735723e-01 8.07211459e-01] [9.25051669e-01 2.44264277e-01 8.07211459e-01] [5.74948331e-01 7.44264277e-01 3.07211459e-01] [4.25051669e-01 2.55735723e-01 3.07211459e-01] [4.25051669e-01 7.44264277e-01 6.92788541e-01] [5.74948331e-01 2.55735723e-01 6.92788541e-01] [7.49483309e-02 2.44264277e-01 8.07211459e-01] [9.25051669e-01 7.55735723e-01 8.07211459e-01] [9.25051669e-01 2.44264277e-01 1.92788541e-01] [7.49483309e-02 7.55735723e-01 1.92788541e-01]] cellpar = Cell([[17.53901041841441, 0.0, 0.0], [0.0, 10.127347300198238, -2.4720563032741765e-32], [0.0, 2.247380949789125e-31, 9.24841104588798]]) forces = [[ 0.00000000e+00 -4.36731393e-01 2.84508173e+00] [ 0.00000000e+00 4.36731393e-01 2.84508173e+00] [ 0.00000000e+00 -4.36731393e-01 -2.84508173e+00] [ 0.00000000e+00 4.36731393e-01 -2.84508173e+00] [ 0.00000000e+00 -4.36731393e-01 2.84508173e+00] [ 0.00000000e+00 4.36731393e-01 2.84508173e+00] [ 0.00000000e+00 -4.36731393e-01 -2.84508173e+00] [ 0.00000000e+00 4.36731393e-01 -2.84508173e+00] [ 8.66609563e-03 4.96503821e-01 -1.21195153e-33] [-8.66609563e-03 -4.96503821e-01 1.21195153e-33] [-8.66609563e-03 4.96503821e-01 -7.29692186e-30] [ 8.66609563e-03 -4.96503821e-01 1.21195153e-33] [ 8.66609563e-03 4.96503821e-01 -1.21195153e-33] [-8.66609563e-03 -4.96503821e-01 1.21195153e-33] [-8.66609563e-03 4.96503821e-01 -1.21195153e-33] [ 8.66609563e-03 -4.96503821e-01 1.21195153e-33] [-7.14291710e-01 7.99833305e-30 3.81260218e-01] [ 7.14291710e-01 4.00379887e-30 3.81260218e-01] [ 7.14291710e-01 7.97980367e-30 -3.81260218e-01] [-7.14291710e-01 9.97707075e-30 -3.81260218e-01] [-7.14291710e-01 -9.97707075e-30 3.81260218e-01] [ 7.14291710e-01 -3.98526949e-30 3.81260218e-01] [ 7.14291710e-01 1.39716049e-29 -3.81260218e-01] [-7.14291710e-01 1.29729714e-29 -3.81260218e-01] [-1.08159597e+00 -1.77285764e-02 4.29417473e-01] [ 1.08159597e+00 1.77285764e-02 4.29417473e-01] [ 1.08159597e+00 -1.77285764e-02 -4.29417473e-01] [-1.08159597e+00 1.77285764e-02 -4.29417473e-01] [-1.08159597e+00 -1.77285764e-02 4.29417473e-01] [ 1.08159597e+00 1.77285764e-02 4.29417473e-01] [ 1.08159597e+00 -1.77285764e-02 -4.29417473e-01] [-1.08159597e+00 1.77285764e-02 -4.29417473e-01] [ 1.08159597e+00 1.77285764e-02 -4.29417473e-01] [-1.08159597e+00 -1.77285764e-02 -4.29417473e-01] [-1.08159597e+00 1.77285764e-02 4.29417473e-01] [ 1.08159597e+00 -1.77285764e-02 4.29417473e-01] [ 1.08159597e+00 1.77285764e-02 -4.29417473e-01] [-1.08159597e+00 -1.77285764e-02 -4.29417473e-01] [-1.08159597e+00 1.77285764e-02 4.29417473e-01] [ 1.08159597e+00 -1.77285764e-02 4.29417473e-01] [ 4.68685770e-01 -7.58680392e-01 9.87762131e-01] [-4.68685770e-01 7.58680392e-01 9.87762131e-01] [-4.68685770e-01 -7.58680392e-01 -9.87762131e-01] [ 4.68685770e-01 7.58680392e-01 -9.87762131e-01] [ 4.68685770e-01 -7.58680392e-01 9.87762131e-01] [-4.68685770e-01 7.58680392e-01 9.87762131e-01] [-4.68685770e-01 -7.58680392e-01 -9.87762131e-01] [ 4.68685770e-01 7.58680392e-01 -9.87762131e-01] [-4.68685770e-01 7.58680392e-01 -9.87762131e-01] [ 4.68685770e-01 -7.58680392e-01 -9.87762131e-01] [ 4.68685770e-01 7.58680392e-01 9.87762131e-01] [-4.68685770e-01 -7.58680392e-01 9.87762131e-01] [-4.68685770e-01 7.58680392e-01 -9.87762131e-01] [ 4.68685770e-01 -7.58680392e-01 -9.87762131e-01] [ 4.68685770e-01 7.58680392e-01 9.87762131e-01] [-4.68685770e-01 -7.58680392e-01 9.87762131e-01] [ 4.63770334e-01 -5.78741040e-01 9.66081142e-02] [-4.63770334e-01 5.78741040e-01 9.66081142e-02] [-4.63770334e-01 -5.78741040e-01 -9.66081142e-02] [ 4.63770334e-01 5.78741040e-01 -9.66081142e-02] [ 4.63770334e-01 -5.78741040e-01 9.66081142e-02] [-4.63770334e-01 5.78741040e-01 9.66081142e-02] [-4.63770334e-01 -5.78741040e-01 -9.66081142e-02] [ 4.63770334e-01 5.78741040e-01 -9.66081142e-02] [-4.63770334e-01 5.78741040e-01 -9.66081142e-02] [ 4.63770334e-01 -5.78741040e-01 -9.66081142e-02] [ 4.63770334e-01 5.78741040e-01 9.66081142e-02] [-4.63770334e-01 -5.78741040e-01 9.66081142e-02] [-4.63770334e-01 5.78741040e-01 -9.66081142e-02] [ 4.63770334e-01 -5.78741040e-01 -9.66081142e-02] [ 4.63770334e-01 5.78741040e-01 9.66081142e-02] [-4.63770334e-01 -5.78741040e-01 9.66081142e-02] [ 2.82425237e-01 1.59764123e+00 -9.78786697e-01] [-2.82425237e-01 -1.59764123e+00 -9.78786697e-01] [-2.82425237e-01 1.59764123e+00 9.78786697e-01] [ 2.82425237e-01 -1.59764123e+00 9.78786697e-01] [ 2.82425237e-01 1.59764123e+00 -9.78786697e-01] [-2.82425237e-01 -1.59764123e+00 -9.78786697e-01] [-2.82425237e-01 1.59764123e+00 9.78786697e-01] [ 2.82425237e-01 -1.59764123e+00 9.78786697e-01] [-2.82425237e-01 -1.59764123e+00 9.78786697e-01] [ 2.82425237e-01 1.59764123e+00 9.78786697e-01] [ 2.82425237e-01 -1.59764123e+00 -9.78786697e-01] [-2.82425237e-01 1.59764123e+00 -9.78786697e-01] [-2.82425237e-01 -1.59764123e+00 9.78786697e-01] [ 2.82425237e-01 1.59764123e+00 9.78786697e-01] [ 2.82425237e-01 -1.59764123e+00 -9.78786697e-01] [-2.82425237e-01 1.59764123e+00 -9.78786697e-01] [ 3.30336581e-01 -2.65988713e-01 1.15294423e+00] [-3.30336581e-01 2.65988713e-01 1.15294423e+00] [-3.30336581e-01 -2.65988713e-01 -1.15294423e+00] [ 3.30336581e-01 2.65988713e-01 -1.15294423e+00] [ 3.30336581e-01 -2.65988713e-01 1.15294423e+00] [-3.30336581e-01 2.65988713e-01 1.15294423e+00] [-3.30336581e-01 -2.65988713e-01 -1.15294423e+00] [ 3.30336581e-01 2.65988713e-01 -1.15294423e+00] [-3.30336581e-01 2.65988713e-01 -1.15294423e+00] [ 3.30336581e-01 -2.65988713e-01 -1.15294423e+00] [ 3.30336581e-01 2.65988713e-01 1.15294423e+00] [-3.30336581e-01 -2.65988713e-01 1.15294423e+00] [-3.30336581e-01 2.65988713e-01 -1.15294423e+00] [ 3.30336581e-01 -2.65988713e-01 -1.15294423e+00] [ 3.30336581e-01 2.65988713e-01 1.15294423e+00] [-3.30336581e-01 -2.65988713e-01 1.15294423e+00] [-1.25959884e+00 -5.48220655e-02 3.83279070e-01] [ 1.25959884e+00 5.48220655e-02 3.83279070e-01] [ 1.25959884e+00 -5.48220655e-02 -3.83279070e-01] [-1.25959884e+00 5.48220655e-02 -3.83279070e-01] [-1.25959884e+00 -5.48220655e-02 3.83279070e-01] [ 1.25959884e+00 5.48220655e-02 3.83279070e-01] [ 1.25959884e+00 -5.48220655e-02 -3.83279070e-01] [-1.25959884e+00 5.48220655e-02 -3.83279070e-01] [ 1.25959884e+00 5.48220655e-02 -3.83279070e-01] [-1.25959884e+00 -5.48220655e-02 -3.83279070e-01] [-1.25959884e+00 5.48220655e-02 3.83279070e-01] [ 1.25959884e+00 -5.48220655e-02 3.83279070e-01] [ 1.25959884e+00 5.48220655e-02 -3.83279070e-01] [-1.25959884e+00 -5.48220655e-02 -3.83279070e-01] [-1.25959884e+00 5.48220655e-02 3.83279070e-01] [ 1.25959884e+00 -5.48220655e-02 3.83279070e-01]] stress = [-6.86671076e-02 -4.83895845e-02 -1.05720376e-02 1.78064982e-32 0.00000000e+00 0.00000000e+00] energy per atom = -13.194069964601164 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0