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 19:45:38 46.402082 15.311082 BFGS: 1 19:45:39 -313.937487 17.234047 BFGS: 2 19:45:39 -586.827784 8.474541 BFGS: 3 19:45:40 -717.554378 6.324028 BFGS: 4 19:45:40 -797.709866 10.334876 BFGS: 5 19:45:41 -545.659476 10.315420 BFGS: 6 19:45:42 -662.094013 8.212678 BFGS: 7 19:45:43 -640.751397 13.035421 BFGS: 8 19:45:44 -744.375071 10.935668 BFGS: 9 19:45:46 -750.099881 11.224491 BFGS: 10 19:45:47 -817.896079 16.080651 BFGS: 11 19:45:49 -852.628180 16.398880 BFGS: 12 19:45:51 -786.969199 10.567436 BFGS: 13 19:45:52 -853.592541 9.516458 BFGS: 14 19:45:53 -809.778759 11.710633 BFGS: 15 19:45:54 -743.490244 15.724541 BFGS: 16 19:45:56 -831.401154 7.824503 BFGS: 17 19:45:57 -704.272709 11.170186 BFGS: 18 19:45:59 -751.963243 15.216170 BFGS: 19 19:46:00 -716.504231 12.590776 BFGS: 20 19:46:01 -785.742732 7.336821 BFGS: 21 19:46:02 -795.426331 12.547087 BFGS: 22 19:46:03 -817.031803 30.576859 BFGS: 23 19:46:03 -841.234208 41.597457 BFGS: 24 19:46:04 -861.042644 42.794768 BFGS: 25 19:46:06 -822.100678 35.577484 BFGS: 26 19:46:08 -833.940862 29.753233 BFGS: 27 19:46:09 -890.040362 46.002712 BFGS: 28 19:46:10 -839.625935 41.089451 BFGS: 29 19:46:12 -889.932141 23.902009 BFGS: 30 19:46:14 -837.223158 16.684886 BFGS: 31 19:46:15 -844.979663 14.219395 BFGS: 32 19:46:17 -858.065191 18.020506 BFGS: 33 19:46:19 -883.724820 18.384745 BFGS: 34 19:46:20 -876.661862 17.664234 BFGS: 35 19:46:23 -863.674714 18.657270 BFGS: 36 19:46:25 -883.621437 15.123828 BFGS: 37 19:46:28 -870.895245 13.992634 BFGS: 38 19:46:29 -887.531900 13.317508 BFGS: 39 19:46:31 -946.836992 7.730032 BFGS: 40 19:46:31 -903.767761 12.505873 BFGS: 41 19:46:32 -913.742376 14.492880 BFGS: 42 19:46:33 -818.080808 17.768560 BFGS: 43 19:46:36 -823.209525 21.689600 BFGS: 44 19:46:40 -828.344946 24.500407 BFGS: 45 19:46:41 -781.250727 26.553796 BFGS: 46 19:46:43 -787.708478 26.531741 BFGS: 47 19:46:46 -723.639721 26.433849 BFGS: 48 19:46:47 -781.779890 26.223611 BFGS: 49 19:46:48 -786.637902 26.211902 BFGS: 50 19:46:50 -791.205257 25.975637 BFGS: 51 19:46:51 -795.518782 25.692272 BFGS: 52 19:46:53 -799.597982 25.454549 BFGS: 53 19:46:55 -803.445833 25.300910 BFGS: 54 19:46:57 -807.060780 25.239732 BFGS: 55 19:47:03 -724.335533 67.760234 BFGS: 56 19:47:06 -727.869553 66.692670 BFGS: 57 19:47:09 -731.096779 65.779848 BFGS: 58 19:47:11 -734.071877 64.982185 BFGS: 59 19:47:14 -797.644441 64.269577 BFGS: 60 19:47:16 -800.953549 63.378614 BFGS: 61 19:47:17 -803.874954 62.601667 BFGS: 62 19:47:19 -806.551417 61.874146 BFGS: 63 19:47:22 -809.066695 61.169690 BFGS: 64 19:47:23 -811.473219 60.479049 BFGS: 65 19:47:24 -738.719053 59.800185 BFGS: 66 19:47:28 -740.904988 58.990974 BFGS: 67 19:47:28 -757.250083 58.200785 BFGS: 68 19:47:30 -759.212168 57.530217 BFGS: 69 19:47:32 -761.122421 56.901598 BFGS: 70 19:47:33 -762.993022 56.301842 BFGS: 71 19:47:35 -764.983102 55.661255 BFGS: 72 19:47:38 -767.597079 54.731987 BFGS: 73 19:47:39 -770.315100 53.811918 BFGS: 74 19:47:41 -773.837485 52.618186 BFGS: 75 19:47:42 -766.864416 51.173605 BFGS: 76 19:47:43 -770.432221 49.981234 BFGS: 77 19:47:44 -770.119865 52.707950 BFGS: 78 19:47:46 -776.260927 51.343380 BFGS: 79 19:47:47 -780.163427 50.355056 BFGS: 80 19:47:48 -787.821977 47.978512 BFGS: 81 19:47:50 -792.403512 46.816916 BFGS: 82 19:47:51 -795.791316 46.154083 BFGS: 83 19:47:52 -798.867621 45.680104 BFGS: 84 19:47:55 -801.913043 45.313485 BFGS: 85 19:47:58 -804.962828 45.026055 BFGS: 86 19:48:02 -884.759961 19.454453 BFGS: 87 19:48:06 -888.052911 21.808432 BFGS: 88 19:48:09 -891.543851 24.229481 BFGS: 89 19:48:11 -871.718636 26.610870 BFGS: 90 19:48:13 -874.774212 28.656252 BFGS: 91 19:48:14 -877.804962 30.596313 BFGS: 92 19:48:16 -880.789171 32.434046 BFGS: 93 19:48:18 -883.743619 34.186327 BFGS: 94 19:48:19 -886.712850 35.879306 BFGS: 95 19:48:20 -889.744157 37.535531 BFGS: 96 19:48:21 -892.892764 39.176292 BFGS: 97 19:48:22 -896.233713 40.825978 BFGS: 98 19:48:22 -899.886388 42.519635 BFGS: 99 19:48:25 -904.085263 44.322342 BFGS: 100 19:48:27 -870.293939 42.227009 BFGS: 101 19:48:29 -955.367009 45.370996 BFGS: 102 19:48:30 -959.226505 46.530227 BFGS: 103 19:48:33 -1014.260977 47.821666 BFGS: 104 19:48:34 -944.663246 50.282947 BFGS: 105 19:48:37 -957.362981 51.699366 BFGS: 106 19:48:38 -878.916764 38.248813 BFGS: 107 19:48:39 -892.197985 34.800926 BFGS: 108 19:48:42 -930.616364 39.144118 BFGS: 109 19:48:44 -947.043634 44.556065 BFGS: 110 19:48:45 -956.582558 52.175138 BFGS: 111 19:48:47 -980.383876 54.421763 BFGS: 112 19:48:48 -947.270107 54.744624 BFGS: 113 19:48:49 -961.539033 54.632085 BFGS: 114 19:48:51 -981.333442 52.038856 BFGS: 115 19:48:52 -1002.436798 48.322847 BFGS: 116 19:48:53 -1096.988324 46.123884 BFGS: 117 19:48:54 -1121.034634 45.837669 BFGS: 118 19:48:56 -1145.254408 45.163309 BFGS: 119 19:48:57 -1168.345884 44.025584 BFGS: 120 19:48:58 -1139.018229 35.847078 BFGS: 121 19:49:02 -1166.736944 34.502999 BFGS: 122 19:49:04 -1182.802506 32.436349 BFGS: 123 19:49:06 -1281.148264 30.123134 BFGS: 124 19:49:08 -1292.745013 28.005758 BFGS: 125 19:49:11 -1276.120129 26.056333 BFGS: 126 19:49:14 -1318.748827 25.139167 BFGS: 127 19:49:15 -1326.792844 22.489294 BFGS: 128 19:49:18 -1252.328351 34.126455 BFGS: 129 19:49:21 -1258.360865 33.792343 BFGS: 130 19:49:22 -1356.218363 31.207852 BFGS: 131 19:49:25 -1362.712001 30.708122 BFGS: 132 19:49:27 -1368.341304 30.043295 BFGS: 133 19:49:33 -1373.406852 29.283690 BFGS: 134 19:49:36 -1378.071931 28.472474 BFGS: 135 19:49:37 -1382.432550 27.635778 BFGS: 136 19:49:40 -1386.546924 26.789505 BFGS: 137 19:49:45 -1390.452408 25.943236 BFGS: 138 19:49:47 -1394.174948 25.102491 BFGS: 139 19:49:52 -1397.734290 24.270113 BFGS: 140 19:49:54 -1401.146825 23.447147 BFGS: 141 19:49:56 -1404.427090 22.633414 BFGS: 142 19:49:57 -1407.588486 21.827907 BFGS: 143 19:49:59 -1410.643565 21.029061 BFGS: 144 19:50:00 -1408.036552 20.234935 BFGS: 145 19:50:02 -1411.231039 19.295214 BFGS: 146 19:50:04 -1303.720256 27.178287 BFGS: 147 19:50:05 -1306.672828 26.955683 BFGS: 148 19:50:06 -1309.696325 26.677842 BFGS: 149 19:50:08 -1312.754579 26.349810 BFGS: 150 19:50:09 -1303.506481 25.976038 BFGS: 151 19:50:11 -1306.623515 25.437422 BFGS: 152 19:50:12 -1309.672654 24.884377 BFGS: 153 19:50:13 -1312.652582 24.318213 BFGS: 154 19:50:14 -1265.797748 23.739472 BFGS: 155 19:50:15 -1234.103258 31.720584 BFGS: 156 19:50:16 -1237.694296 30.599686 BFGS: 157 19:50:17 -1246.194645 29.458228 BFGS: 158 19:50:19 -1305.654480 18.118801 BFGS: 159 19:50:20 -1308.191798 17.267714 BFGS: 160 19:50:21 -1310.624098 16.484193 BFGS: 161 19:50:21 -1312.870336 15.844886 BFGS: 162 19:50:24 -1314.898478 15.391124 BFGS: 163 19:50:24 -1316.713186 15.122803 BFGS: 164 19:50:25 -1318.340460 15.006494 BFGS: 165 19:50:27 -1319.815297 14.992077 BFGS: 166 19:50:28 -1321.173982 15.028968 BFGS: 167 19:50:29 -1322.449766 15.076407 BFGS: 168 19:50:31 -1323.670126 15.107042 BFGS: 169 19:50:33 -1324.855219 15.105659 BFGS: 170 19:50:35 -1326.018029 15.065726 BFGS: 171 19:50:38 -1327.166050 14.985913 BFGS: 172 19:50:40 -1328.303456 14.867585 BFGS: 173 19:50:46 -1329.432838 14.713287 BFGS: 174 19:50:49 -1330.556259 14.525907 BFGS: 175 19:50:54 -1331.675782 14.308233 BFGS: 176 19:51:00 -1332.793706 14.062739 BFGS: 177 19:51:02 -1333.912683 13.791521 BFGS: 178 19:51:03 -1335.004444 13.504599 BFGS: 179 19:51:06 -1336.060961 13.207984 BFGS: 180 19:51:12 -1337.091538 12.902880 BFGS: 181 19:51:16 -1338.104559 12.590346 BFGS: 182 19:51:18 -1339.107718 12.271462 BFGS: 183 19:51:20 -1340.108021 11.947531 BFGS: 184 19:51:23 -1341.111544 11.620283 BFGS: 185 19:51:26 -1342.123005 11.292039 BFGS: 186 19:51:29 -1343.145270 10.965733 BFGS: 187 19:51:31 -1344.179010 10.644746 BFGS: 188 19:51:34 -1345.222666 10.332561 BFGS: 189 19:51:39 -1346.272766 10.032344 BFGS: 190 19:51:41 -1347.324501 9.746579 BFGS: 191 19:51:43 -1348.372438 9.476844 BFGS: 192 19:51:43 -1398.839856 11.838409 BFGS: 193 19:51:46 -1399.889303 11.480791 BFGS: 194 19:51:49 -1400.890691 11.140737 BFGS: 195 19:51:54 -1401.836411 10.821212 BFGS: 196 19:51:56 -1402.736169 10.519204 BFGS: 197 19:51:57 -1403.597139 10.232411 BFGS: 198 19:51:59 -1425.027054 17.020971 BFGS: 199 19:52:01 -1425.875258 16.649266 BFGS: 200 19:52:03 -1426.688968 16.291581 BFGS: 201 19:52:05 -1427.471062 15.946384 BFGS: 202 19:52:07 -1379.326979 10.142047 BFGS: 203 19:52:08 -1380.169008 10.036227 BFGS: 204 19:52:11 -1380.977226 9.933426 BFGS: 205 19:52:15 -1381.751974 10.132469 BFGS: 206 19:52:18 -1382.494778 10.396841 BFGS: 207 19:52:20 -1383.207857 10.656700 BFGS: 208 19:52:21 -1383.893771 10.911172 BFGS: 209 19:52:24 -1384.555167 11.159573 BFGS: 210 19:52:26 -1385.194634 11.401385 BFGS: 211 19:52:27 -1385.814612 11.636229 BFGS: 212 19:52:28 -1386.417347 11.863845 BFGS: 213 19:52:28 -1400.381916 12.084073 BFGS: 214 19:52:29 -1400.939223 12.298283 BFGS: 215 19:52:30 -1401.488451 12.504747 BFGS: 216 19:52:31 -1402.030656 12.703571 BFGS: 217 19:52:32 -1402.566796 12.894885 BFGS: 218 19:52:33 -1403.097711 13.078839 BFGS: 219 19:52:33 -1403.624120 13.255599 BFGS: 220 19:52:34 -1404.146623 13.425342 BFGS: 221 19:52:34 -1404.665700 13.588263 BFGS: 222 19:52:35 -1440.023681 13.744563 BFGS: 223 19:52:36 -1440.553595 13.895081 BFGS: 224 19:52:36 -1441.087529 14.039266 BFGS: 225 19:52:37 -1441.622959 14.178090 BFGS: 226 19:52:37 -1399.153789 14.312471 BFGS: 227 19:52:38 -1399.657757 14.448174 BFGS: 228 19:52:39 -1400.173909 14.576325 BFGS: 229 19:52:41 -1400.699151 14.698157 BFGS: 230 19:52:42 -1401.227236 14.814040 BFGS: 231 19:52:44 -1401.736254 14.920943 BFGS: 232 19:52:46 -1428.561064 15.020889 BFGS: 233 19:52:46 -1429.027957 15.107603 BFGS: 234 19:52:47 -1429.488239 15.192884 BFGS: 235 19:52:49 -1429.942383 15.277610 BFGS: 236 19:52:52 -1430.390816 15.362575 BFGS: 237 19:52:55 -1430.833935 15.448499 BFGS: 238 19:52:57 -1431.272120 15.536032 BFGS: 239 19:53:00 -1431.705732 15.625760 BFGS: 240 19:53:04 -1432.135121 15.718209 BFGS: 241 19:53:08 -1432.560626 15.813850 BFGS: 242 19:53:10 -1432.982571 15.913101 BFGS: 243 19:53:11 -1433.401268 16.016337 BFGS: 244 19:53:11 -1433.817012 16.123884 BFGS: 245 19:53:16 -1434.230083 16.236034 BFGS: 246 19:53:17 -1434.640744 16.353043 BFGS: 247 19:53:17 -1435.049241 16.475134 BFGS: 248 19:53:20 -1435.455803 16.602502 BFGS: 249 19:53:25 -1435.860644 16.735318 BFGS: 250 19:53:29 -1436.263961 16.873727 BFGS: 251 19:53:31 -1436.665936 17.017848 BFGS: 252 19:53:34 -1437.066740 17.167780 BFGS: 253 19:53:35 -1437.466529 17.323595 BFGS: 254 19:53:37 -1437.865446 17.485336 BFGS: 255 19:53:38 -1438.263622 17.653018 BFGS: 256 19:53:40 -1438.661175 17.826618 BFGS: 257 19:53:40 -1439.055381 18.004774 BFGS: 258 19:53:41 -1439.435988 18.182315 BFGS: 259 19:53:41 -1439.804349 18.359095 BFGS: 260 19:53:44 -1440.161703 18.534975 BFGS: 261 19:53:46 -1440.509179 18.709813 BFGS: 262 19:53:49 -1440.847810 18.883462 BFGS: 263 19:53:50 -1441.178544 19.055770 BFGS: 264 19:53:52 -1441.502249 19.226570 BFGS: 265 19:53:54 -1441.819726 19.395676 BFGS: 266 19:53:58 -1442.131713 19.562881 BFGS: 267 19:53:59 -1442.438889 19.727942 BFGS: 268 19:54:01 -1442.741884 19.890575 BFGS: 269 19:54:04 -1443.041275 20.050444 BFGS: 270 19:54:07 -1443.337589 20.207140 BFGS: 271 19:54:10 -1443.631298 20.360175 BFGS: 272 19:54:11 -1443.922807 20.508964 BFGS: 273 19:54:12 -1444.212434 20.652819 BFGS: 274 19:54:13 -1444.500381 20.790987 BFGS: 275 19:54:16 -1444.786703 20.922778 BFGS: 276 19:54:17 -1445.071304 21.047932 BFGS: 277 19:54:22 -1445.354125 21.167479 BFGS: 278 19:54:23 -1445.635750 21.285147 BFGS: 279 19:54:25 -1445.918376 21.407850 BFGS: 280 19:54:29 -1446.205643 21.542421 BFGS: 281 19:54:33 -1485.830780 21.692362 BFGS: 282 19:54:36 -1486.133501 21.936412 BFGS: 283 19:54:38 -1486.439319 22.178108 BFGS: 284 19:54:40 -1486.748071 22.419706 BFGS: 285 19:54:42 -1487.059226 22.663432 BFGS: 286 19:54:42 -1527.726282 22.911291 BFGS: 287 19:54:44 -1500.067804 23.163992 BFGS: 288 19:54:45 -1500.356652 23.440790 BFGS: 289 19:54:46 -1500.635709 23.716932 BFGS: 290 19:54:48 -1599.425174 23.992120 BFGS: 291 19:54:53 -1599.700837 24.152975 BFGS: 292 19:54:55 -1564.222075 24.313990 BFGS: 293 19:54:56 -1564.509275 24.448128 BFGS: 294 19:54:58 -1564.783104 24.583687 BFGS: 295 19:54:58 -1565.046264 24.718779 BFGS: 296 19:54:59 -1565.300915 24.851886 BFGS: 297 19:55:00 -1562.217670 24.981724 BFGS: 298 19:55:02 -1562.571736 25.078528 BFGS: 299 19:55:03 -1562.915087 25.180110 BFGS: 300 19:55:05 -1563.248584 25.284522 BFGS: 301 19:55:07 -1563.573167 25.389803 BFGS: 302 19:55:08 -1563.889886 25.493956 BFGS: 303 19:55:10 -1564.199916 25.594952 BFGS: 304 19:55:12 -1564.504549 25.690763 BFGS: 305 19:55:14 -1564.805170 25.779395 BFGS: 306 19:55:17 -1565.103214 25.858945 BFGS: 307 19:55:19 -1565.400135 25.927626 BFGS: 308 19:55:24 -1565.697365 25.983796 BFGS: 309 19:55:26 -1565.996297 26.025952 BFGS: 310 19:55:29 -1566.298282 26.052709 BFGS: 311 19:55:31 -1566.604637 26.062765 BFGS: 312 19:55:36 -1566.916657 26.054863 BFGS: 313 19:55:37 -1567.235640 26.027747 BFGS: 314 19:55:41 -1559.723516 31.891593 BFGS: 315 19:55:43 -1560.067980 31.765653 BFGS: 316 19:55:47 -1560.424130 31.612796 BFGS: 317 19:55:48 -1560.793115 31.431637 BFGS: 318 19:55:50 -1561.176257 31.220516 BFGS: 319 19:55:53 -1561.575047 30.977488 BFGS: 320 19:55:57 -1561.991159 30.700319 BFGS: 321 19:56:00 -1562.426465 30.386441 BFGS: 322 19:56:02 -1562.883070 30.032901 BFGS: 323 19:56:03 -1563.363352 29.636264 BFGS: 324 19:56:06 -1536.244019 41.648675 BFGS: 325 19:56:08 -1537.141319 40.470734 BFGS: 326 19:56:09 -1538.032673 39.134760 BFGS: 327 19:56:11 -1538.902297 37.615426 BFGS: 328 19:56:14 -1539.699982 35.981204 BFGS: 329 19:56:16 -1540.457137 34.180503 BFGS: 330 19:56:18 -1541.222556 32.090161 BFGS: 331 19:56:22 -1606.211657 29.385902 BFGS: 332 19:56:26 -1483.856938 34.565082 BFGS: 333 19:56:29 -1607.654102 26.591734 BFGS: 334 19:56:32 -1608.103189 26.078660 BFGS: 335 19:56:33 -1608.573612 25.620957 BFGS: 336 19:56:35 -1609.059296 25.158246 BFGS: 337 19:56:36 -1609.556237 24.622751 BFGS: 338 19:56:37 -1487.098494 33.927248 BFGS: 339 19:56:38 -1487.610714 33.747465 BFGS: 340 19:56:39 -1488.312428 33.445716 BFGS: 341 19:56:42 -1489.010718 33.164135 BFGS: 342 19:56:44 -1502.791399 32.955236 BFGS: 343 19:56:44 -1504.311746 32.565989 BFGS: 344 19:56:45 -1475.646077 32.021581 BFGS: 345 19:56:46 -1558.423751 14.901224 BFGS: 346 19:56:47 -1559.232819 15.891518 BFGS: 347 19:56:50 -1560.654820 18.112833 BFGS: 348 19:56:51 -1561.129370 17.713322 BFGS: 349 19:56:53 -1561.741269 16.864219 BFGS: 350 19:56:56 -1562.275896 15.925896 BFGS: 351 19:56:59 -1629.454827 14.920410 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21:19:16 -1583.365851 2.559422 BFGS: 6644 21:19:16 -1583.374113 2.308925 BFGS: 6645 21:19:16 -1483.129059 23.193860 BFGS: 6646 21:19:17 -1583.379850 2.112969 BFGS: 6647 21:19:17 -1583.383953 1.957868 BFGS: 6648 21:19:17 -1483.128906 23.185420 BFGS: 6649 21:19:17 -1608.288570 10.799448 BFGS: 6650 21:19:17 -1582.492672 11.382537 BFGS: 6651 21:19:18 -1583.069900 6.933450 BFGS: 6652 21:19:18 -1483.224996 23.181147 BFGS: 6653 21:19:18 -1583.236666 4.970028 BFGS: 6654 21:19:18 -1583.301128 3.955292 BFGS: 6655 21:19:19 -1483.164152 23.148662 BFGS: 6656 21:19:19 -1583.335116 3.290859 BFGS: 6657 21:19:20 -1583.354090 2.848894 BFGS: 6658 21:19:21 -1483.144935 23.169990 BFGS: 6659 21:19:21 -1583.366197 2.524571 BFGS: 6660 21:19:21 -1583.374133 2.283170 BFGS: 6661 21:19:22 -1483.138623 23.190190 BFGS: 6662 21:19:22 -1583.379727 2.094539 BFGS: 6663 21:19:23 -1583.383736 1.944955 BFGS: 6664 21:19:23 -1483.137396 23.198667 BFGS: 6665 21:19:24 -1583.386746 1.823238 BFGS: 6666 21:19:25 -1608.266465 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21:19:31 -1583.384928 1.911797 BFGS: 6691 21:19:31 -1608.286114 10.737839 BFGS: 6692 21:19:31 -1583.385447 1.878346 BFGS: 6693 21:19:31 -1583.385697 1.864399 BFGS: 6694 21:19:32 -1583.388095 1.806381 BFGS: 6695 21:19:32 -1608.246757 11.056969 BFGS: 6696 21:19:32 -1608.272702 10.908514 BFGS: 6697 21:19:32 -1458.220163 22.831617 BFGS: 6698 21:19:33 -1458.434206 23.093891 BFGS: 6699 21:19:33 -1608.143693 11.594947 BFGS: 6700 21:19:33 -1583.365245 2.354526 BFGS: 6701 21:19:34 -1583.373703 2.139947 BFGS: 6702 21:19:35 -1608.244027 11.093856 BFGS: 6703 21:19:35 -1583.376853 2.063257 BFGS: 6704 21:19:35 -1583.379108 2.004481 BFGS: 6705 21:19:36 -1608.118823 11.464740 BFGS: 6706 21:19:36 -1583.383327 1.898645 BFGS: 6707 21:19:37 -1583.386445 1.812495 BFGS: 6708 21:19:37 -1607.969822 11.971016 BFGS: 6709 21:19:38 -1608.255730 10.950654 BFGS: 6710 21:19:38 -1457.207399 23.869947 BFGS: 6711 21:19:38 -1583.104099 5.620891 BFGS: 6712 21:19:39 -1608.281278 10.733354 BFGS: 6713 21:19:39 -1583.239322 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21:19:50 -1608.260533 10.942977 BFGS: 6738 21:19:50 -1581.987378 14.032680 BFGS: 6739 21:19:51 -1583.029048 6.860307 BFGS: 6740 21:19:52 -1483.289273 23.120830 BFGS: 6741 21:19:52 -1583.256243 4.252586 BFGS: 6742 21:19:52 -1583.322106 3.187739 BFGS: 6743 21:19:53 -1483.192453 23.095939 BFGS: 6744 21:19:53 -1583.355939 2.520926 BFGS: 6745 21:19:54 -1583.373088 2.113849 BFGS: 6746 21:19:54 -1483.153458 23.054495 BFGS: 6747 21:19:55 -1583.384515 1.820518 BFGS: 6748 21:19:55 -1608.253023 11.014625 BFGS: 6749 21:19:55 -1583.385682 1.802457 BFGS: 6750 21:19:55 -1583.386583 1.786806 BFGS: 6751 21:19:56 -1608.118448 11.299520 BFGS: 6752 21:19:56 -1608.270907 10.902943 BFGS: 6753 21:19:57 -1457.577706 23.928278 BFGS: 6754 21:19:57 -1458.212287 23.710763 BFGS: 6755 21:19:57 -1607.714482 12.300256 BFGS: 6756 21:19:58 -1583.305810 2.883177 BFGS: 6757 21:19:58 -1583.358803 2.308326 BFGS: 6758 21:19:59 -1608.107190 11.326088 BFGS: 6759 21:19:59 -1583.372000 2.132173 BFGS: 6760 21:20:00 -1583.379051 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21:21:14 -1607.936480 12.199254 BFGS: 6926 21:21:15 -1583.378259 2.063756 BFGS: 6927 21:21:15 -1583.385807 1.839292 BFGS: 6928 21:21:15 -1607.932355 12.232252 BFGS: 6929 21:21:15 -1608.262614 10.961158 BFGS: 6930 21:21:16 -1582.333968 11.575355 BFGS: 6931 21:21:16 -1583.057700 6.474520 BFGS: 6932 21:21:16 -1608.029239 11.867862 BFGS: 6933 21:21:16 -1583.243784 4.444445 BFGS: 6934 21:21:17 -1583.311655 3.443839 BFGS: 6935 21:21:17 -1607.952269 12.155430 BFGS: 6936 21:21:17 -1583.346951 2.791147 BFGS: 6937 21:21:17 -1583.366044 2.366206 BFGS: 6938 21:21:18 -1607.940787 12.202038 BFGS: 6939 21:21:18 -1583.377768 2.062468 BFGS: 6940 21:21:18 -1583.385345 1.839669 BFGS: 6941 21:21:18 -1607.936744 12.218287 BFGS: 6942 21:21:18 -1608.265800 10.959249 BFGS: 6943 21:21:18 -1582.333988 11.501387 BFGS: 6944 21:21:19 -1583.058163 6.441150 BFGS: 6945 21:21:19 -1608.032320 11.852311 BFGS: 6946 21:21:19 -1583.244003 4.429520 BFGS: 6947 21:21:19 -1583.311687 3.437508 BFGS: 6948 21:21:19 -1607.956266 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21:21:25 -1583.243587 4.432034 BFGS: 6973 21:21:25 -1583.311264 3.442566 BFGS: 6974 21:21:26 -1607.964276 12.115220 BFGS: 6975 21:21:26 -1583.346336 2.797749 BFGS: 6976 21:21:26 -1583.365262 2.377917 BFGS: 6977 21:21:27 -1607.953162 12.165660 BFGS: 6978 21:21:27 -1583.376862 2.077241 BFGS: 6979 21:21:27 -1583.384351 1.856520 BFGS: 6980 21:21:28 -1607.949156 12.188007 BFGS: 6981 21:21:28 -1583.389522 1.686170 BFGS: 6982 21:21:28 -1608.241675 11.071402 BFGS: 6983 21:21:28 -1608.269571 10.959138 BFGS: 6984 21:21:29 -1582.329126 11.471415 BFGS: 6985 21:21:29 -1583.058500 6.420029 BFGS: 6986 21:21:29 -1608.040469 11.827714 BFGS: 6987 21:21:29 -1583.243893 4.423750 BFGS: 6988 21:21:29 -1583.311264 3.439400 BFGS: 6989 21:21:30 -1607.965873 12.110105 BFGS: 6990 21:21:30 -1583.346169 2.797269 BFGS: 6991 21:21:30 -1583.365029 2.378831 BFGS: 6992 21:21:30 -1607.954858 12.162685 BFGS: 6993 21:21:30 -1583.376596 2.078727 BFGS: 6994 21:21:31 -1583.384068 1.858430 BFGS: 6995 21:21:31 -1607.950914 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21:21:36 -1483.311548 23.051797 BFGS: 7020 21:21:37 -1583.365355 2.202665 BFGS: 7021 21:21:37 -1583.373683 1.931213 BFGS: 7022 21:21:37 -1483.290471 23.023757 BFGS: 7023 21:21:38 -1583.379628 1.723333 BFGS: 7024 21:21:38 -1583.383535 1.598191 BFGS: 7025 21:21:38 -1483.255281 23.005044 BFGS: 7026 21:21:39 -1583.387329 1.579319 BFGS: 7027 21:21:39 -1608.218368 11.295013 BFGS: 7028 21:21:39 -1583.387925 1.592959 BFGS: 7029 21:21:40 -1583.388450 1.595972 BFGS: 7030 21:21:40 -1608.141581 11.445915 BFGS: 7031 21:21:41 -1608.225673 11.234707 BFGS: 7032 21:21:41 -1458.168226 23.053777 BFGS: 7033 21:21:41 -1458.453854 23.107320 BFGS: 7034 21:21:41 -1607.979357 11.790389 BFGS: 7035 21:21:42 -1583.382662 1.566261 BFGS: 7036 21:21:42 -1608.242030 11.165417 BFGS: 7037 21:21:42 -1583.385711 1.616551 BFGS: 7038 21:21:42 -1583.387430 1.630611 BFGS: 7039 21:21:42 -1608.212981 11.131903 BFGS: 7040 21:21:43 -1583.390221 1.646058 BFGS: 7041 21:21:43 -1608.252792 11.079507 BFGS: 7042 21:21:43 -1608.258214 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21:21:49 -1483.322492 23.027187 BFGS: 7067 21:21:49 -1608.246866 11.049196 BFGS: 7068 21:21:50 -1583.094755 6.410721 BFGS: 7069 21:21:50 -1583.269740 4.331524 BFGS: 7070 21:21:51 -1458.593756 23.166617 BFGS: 7071 21:21:51 -1478.439459 26.067082 BFGS: 7072 21:21:52 -1483.032891 22.974639 BFGS: 7073 21:21:52 -1582.782599 9.129891 BFGS: 7074 21:21:53 -1583.314798 3.586561 BFGS: 7075 21:21:53 -1483.385569 23.195579 BFGS: 7076 21:21:54 -1583.352878 2.711832 BFGS: 7077 21:21:54 -1583.367465 2.269116 BFGS: 7078 21:21:55 -1483.356123 23.155656 BFGS: 7079 21:21:55 -1583.376128 1.962952 BFGS: 7080 21:21:56 -1583.381194 1.765207 BFGS: 7081 21:21:56 -1483.305657 23.092464 BFGS: 7082 21:21:57 -1583.386281 1.692616 BFGS: 7083 21:21:58 -1583.389699 1.668646 BFGS: 7084 21:21:58 -1483.242923 23.014261 BFGS: 7085 21:21:59 -1608.219655 11.327284 BFGS: 7086 21:21:59 -1583.034682 7.156323 BFGS: 7087 21:21:59 -1583.233082 4.855651 BFGS: 7088 21:22:00 -1483.339542 23.086579 BFGS: 7089 21:22:01 -1583.325474 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21:23:37 -1608.082889 11.480435 BFGS: 7255 21:23:37 -1583.263607 3.975355 BFGS: 7256 21:23:37 -1583.320154 3.205013 BFGS: 7257 21:23:38 -1608.043765 11.745342 BFGS: 7258 21:23:38 -1583.348631 2.680501 BFGS: 7259 21:23:39 -1583.364311 2.330691 BFGS: 7260 21:23:40 -1608.000053 12.029816 BFGS: 7261 21:23:40 -1583.375161 2.042609 BFGS: 7262 21:23:40 -1583.382268 1.832898 BFGS: 7263 21:23:40 -1483.255103 22.944384 BFGS: 7264 21:23:40 -1583.390681 1.615875 BFGS: 7265 21:23:41 -1608.217380 11.237408 BFGS: 7266 21:23:41 -1608.256475 11.077859 BFGS: 7267 21:23:42 -1582.330931 11.368948 BFGS: 7268 21:23:42 -1583.064563 6.262733 BFGS: 7269 21:23:43 -1483.314276 22.967799 BFGS: 7270 21:23:43 -1583.292712 3.609705 BFGS: 7271 21:23:43 -1583.348020 2.626289 BFGS: 7272 21:23:43 -1483.265325 22.912221 BFGS: 7273 21:23:44 -1583.372895 2.051882 BFGS: 7274 21:23:44 -1583.384848 1.711481 BFGS: 7275 21:23:45 -1483.250164 22.913107 BFGS: 7276 21:23:45 -1608.245926 11.134692 BFGS: 7277 21:23:46 -1582.928079 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21:23:59 -1483.132933 22.987481 BFGS: 7302 21:23:59 -1582.831003 8.855702 BFGS: 7303 21:24:00 -1583.300308 3.575248 BFGS: 7304 21:24:00 -1458.617696 23.205327 BFGS: 7305 21:24:00 -1481.916979 22.313138 BFGS: 7306 21:24:01 -1483.131722 22.991608 BFGS: 7307 21:24:01 -1582.821214 8.925255 BFGS: 7308 21:24:02 -1583.298599 3.583005 BFGS: 7309 21:24:02 -1458.618660 23.210026 BFGS: 7310 21:24:02 -1481.905948 22.306863 BFGS: 7311 21:24:03 -1483.130518 22.992855 BFGS: 7312 21:24:03 -1582.813335 8.976725 BFGS: 7313 21:24:04 -1583.297140 3.586744 BFGS: 7314 21:24:04 -1458.619719 23.212571 BFGS: 7315 21:24:05 -1481.894349 22.296872 BFGS: 7316 21:24:05 -1483.129362 22.991625 BFGS: 7317 21:24:06 -1582.806887 9.014393 BFGS: 7318 21:24:06 -1583.295882 3.587375 BFGS: 7319 21:24:06 -1458.620824 23.213146 BFGS: 7320 21:24:07 -1481.881841 22.283362 BFGS: 7321 21:24:07 -1483.128215 22.988123 BFGS: 7322 21:24:07 -1582.801505 9.041421 BFGS: 7323 21:24:07 -1583.294792 3.585482 BFGS: 7324 21:24:07 -1458.621942 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-1483.116040 22.846126 BFGS: 7372 21:24:25 -1582.768091 8.985285 BFGS: 7373 21:24:26 -1583.288063 3.499944 BFGS: 7374 21:24:26 -1458.627357 23.098949 BFGS: 7375 21:24:26 -1481.709256 21.957425 BFGS: 7376 21:24:27 -1483.116510 22.823039 BFGS: 7377 21:24:28 -1582.763736 8.934669 BFGS: 7378 21:24:28 -1583.286925 3.496959 BFGS: 7379 21:24:28 -1458.625460 23.075193 BFGS: 7380 21:24:29 -1481.720390 21.927388 BFGS: 7381 21:24:29 -1483.118969 22.800547 BFGS: 7382 21:24:30 -1582.756776 8.856484 BFGS: 7383 21:24:30 -1583.285167 3.510941 BFGS: 7384 21:24:31 -1458.621974 23.052373 BFGS: 7385 21:24:31 -1481.731670 21.893738 BFGS: 7386 21:24:32 -1483.122298 22.779729 BFGS: 7387 21:24:33 -1582.744890 8.757378 BFGS: 7388 21:24:33 -1583.282647 3.560505 BFGS: 7389 21:24:34 -1458.618906 23.043272 BFGS: 7390 21:24:34 -1481.613640 21.809405 BFGS: 7391 21:24:35 -1483.113429 22.748688 BFGS: 7392 21:24:35 -1582.727720 8.744666 BFGS: 7393 21:24:36 -1583.280735 3.598321 BFGS: 7394 21:24:36 -1458.618781 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21:24:46 -1583.279070 3.532262 BFGS: 7419 21:24:47 -1458.615115 22.986429 BFGS: 7420 21:24:47 -1481.546281 21.666252 BFGS: 7421 21:24:48 -1483.106133 22.640299 BFGS: 7422 21:24:49 -1582.719280 8.694756 BFGS: 7423 21:24:49 -1583.279343 3.516817 BFGS: 7424 21:24:49 -1458.615605 22.976577 BFGS: 7425 21:24:50 -1481.575356 21.662842 BFGS: 7426 21:24:50 -1483.108393 22.628923 BFGS: 7427 21:24:51 -1582.723262 8.659649 BFGS: 7428 21:24:51 -1583.279781 3.500845 BFGS: 7429 21:24:51 -1458.616391 22.967373 BFGS: 7430 21:24:52 -1481.605524 21.660960 BFGS: 7431 21:24:52 -1483.110826 22.618636 BFGS: 7432 21:24:52 -1582.727856 8.622087 BFGS: 7433 21:24:53 -1583.280356 3.484571 BFGS: 7434 21:24:53 -1458.617433 22.958812 BFGS: 7435 21:24:54 -1481.636197 21.660306 BFGS: 7436 21:24:55 -1483.113403 22.609375 BFGS: 7437 21:24:55 -1582.732929 8.582580 BFGS: 7438 21:24:56 -1583.281046 3.468172 BFGS: 7439 21:24:56 -1458.618694 22.950879 BFGS: 7440 21:24:57 -1481.666956 21.660643 BFGS: 7441 21:24:58 -1483.116101 22.601074 BFGS: 7442 21:24:58 -1582.738367 8.541543 BFGS: 7443 21:24:58 -1583.281830 3.451794 BFGS: 7444 21:24:59 -1458.620140 22.943555 BFGS: 7445 21:24:59 -1481.697487 21.661774 BFGS: 7446 21:25:00 -1483.118898 22.593665 BFGS: 7447 21:25:01 -1582.744075 8.499316 BFGS: 7448 21:25:01 -1583.282691 3.435556 BFGS: 7449 21:25:01 -1458.621739 22.936817 BFGS: 7450 21:25:02 -1481.727575 21.663543 BFGS: 7451 21:25:02 -1483.121781 22.587081 BFGS: 7452 21:25:02 -1582.749974 8.456177 BFGS: 7453 21:25:03 -1583.283613 3.419549 BFGS: 7454 21:25:03 -1458.623463 22.930638 BFGS: 7455 21:25:04 -1481.757079 21.665827 BFGS: 7456 21:25:04 -1483.124736 22.581254 BFGS: 7457 21:25:04 -1582.756001 8.412343 BFGS: 7458 21:25:04 -1583.284582 3.403843 BFGS: 7459 21:25:05 -1458.625287 22.924990 BFGS: 7460 21:25:05 -1481.785918 21.668530 BFGS: 7461 21:25:06 -1483.127756 22.576121 BFGS: 7462 21:25:06 -1582.762104 8.367986 BFGS: 7463 21:25:06 -1583.285587 3.388486 BFGS: 7464 21:25:07 -1458.627187 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21:26:26 -1583.315425 3.031665 BFGS: 7629 21:26:26 -1458.685662 22.868585 BFGS: 7630 21:26:26 -1482.482356 21.825202 BFGS: 7631 21:26:27 -1483.247281 22.555680 BFGS: 7632 21:26:27 -1582.943846 6.874125 BFGS: 7633 21:26:27 -1583.316152 3.022643 BFGS: 7634 21:26:27 -1458.687226 22.867956 BFGS: 7635 21:26:27 -1482.497838 21.829845 BFGS: 7636 21:26:28 -1483.250941 22.556184 BFGS: 7637 21:26:28 -1582.948393 6.834263 BFGS: 7638 21:26:28 -1583.316873 3.013637 BFGS: 7639 21:26:29 -1458.688792 22.867318 BFGS: 7640 21:26:29 -1482.513136 21.834449 BFGS: 7641 21:26:29 -1483.254601 22.556684 BFGS: 7642 21:26:30 -1582.952905 6.794696 BFGS: 7643 21:26:30 -1583.317589 3.004645 BFGS: 7644 21:26:31 -1458.690359 22.866670 BFGS: 7645 21:26:31 -1482.528254 21.839013 BFGS: 7646 21:26:32 -1483.258262 22.557180 BFGS: 7647 21:26:32 -1582.957381 6.755422 BFGS: 7648 21:26:32 -1583.318298 2.995665 BFGS: 7649 21:26:33 -1583.383190 1.273283 BFGS: 7650 21:26:33 -1458.702235 22.845539 BFGS: 7651 21:26:33 -1483.451447 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21:29:06 -1583.379631 1.821008 BFGS: 7958 21:29:07 -1583.386861 1.616190 BFGS: 7959 21:29:07 -1607.955604 12.354082 BFGS: 7960 21:29:08 -1583.391878 1.583213 BFGS: 7961 21:29:08 -1583.395465 1.559063 BFGS: 7962 21:29:08 -1607.953369 12.363466 BFGS: 7963 21:29:09 -1608.221244 11.385773 BFGS: 7964 21:29:09 -1582.437266 10.276859 BFGS: 7965 21:29:09 -1583.087497 5.788391 BFGS: 7966 21:29:10 -1608.045558 12.021705 BFGS: 7967 21:29:10 -1583.254747 3.992918 BFGS: 7968 21:29:10 -1583.317357 3.087719 BFGS: 7969 21:29:11 -1607.973236 12.288877 BFGS: 7970 21:29:11 -1583.350294 2.492863 BFGS: 7971 21:29:11 -1583.368283 2.103498 BFGS: 7972 21:29:12 -1607.962528 12.331083 BFGS: 7973 21:29:12 -1583.379394 1.824951 BFGS: 7974 21:29:12 -1583.386609 1.620429 BFGS: 7975 21:29:13 -1607.958742 12.347032 BFGS: 7976 21:29:13 -1583.391614 1.582387 BFGS: 7977 21:29:13 -1583.395192 1.558243 BFGS: 7978 21:29:14 -1607.956489 12.356518 BFGS: 7979 21:29:14 -1583.397868 1.538601 BFGS: 7980 21:29:14 -1608.201769 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21:29:20 -1608.203351 11.427108 BFGS: 8005 21:29:20 -1582.691330 7.661075 BFGS: 8006 21:29:21 -1583.128012 4.743583 BFGS: 8007 21:29:21 -1608.059573 12.061298 BFGS: 8008 21:29:21 -1583.257090 3.434262 BFGS: 8009 21:29:22 -1583.311645 2.700866 BFGS: 8010 21:29:22 -1607.926038 12.429362 BFGS: 8011 21:29:22 -1583.343314 2.225430 BFGS: 8012 21:29:22 -1583.363008 1.873881 BFGS: 8013 21:29:22 -1607.811102 12.667263 BFGS: 8014 21:29:23 -1583.377799 1.630557 BFGS: 8015 21:29:23 -1583.388306 1.599750 BFGS: 8016 21:29:23 -1607.752884 12.740300 BFGS: 8017 21:29:23 -1583.396243 1.567777 BFGS: 8018 21:29:24 -1608.184072 11.524517 BFGS: 8019 21:29:24 -1583.396768 1.561992 BFGS: 8020 21:29:24 -1583.397480 1.555257 BFGS: 8021 21:29:24 -1607.992706 11.941253 BFGS: 8022 21:29:25 -1608.202758 11.443774 BFGS: 8023 21:29:25 -1582.756674 5.768681 BFGS: 8024 21:29:25 -1583.163154 3.836335 BFGS: 8025 21:29:26 -1608.090208 11.492923 BFGS: 8026 21:29:26 -1583.282785 3.024339 BFGS: 8027 21:29:26 -1583.327039 2.571039 BFGS: 8028 21:29:26 -1608.079450 11.526843 BFGS: 8029 21:29:26 -1583.349057 2.276644 BFGS: 8030 21:29:27 -1583.362245 2.058125 BFGS: 8031 21:29:27 -1607.961283 11.949309 BFGS: 8032 21:29:27 -1583.373783 1.833922 BFGS: 8033 21:29:27 -1583.381895 1.655700 BFGS: 8034 21:29:27 -1607.812872 12.522091 BFGS: 8035 21:29:28 -1583.390597 1.518151 BFGS: 8036 21:29:28 -1608.224426 11.329409 BFGS: 8037 21:29:28 -1583.391552 1.523062 BFGS: 8038 21:29:28 -1583.392371 1.525302 BFGS: 8039 21:29:29 -1608.123715 11.840497 BFGS: 8040 21:29:29 -1583.394769 1.534162 BFGS: 8041 21:29:29 -1583.396466 1.538226 BFGS: 8042 21:29:30 -1608.082191 11.981472 BFGS: 8043 21:29:30 -1583.398213 1.540192 BFGS: 8044 21:29:30 -1608.207049 11.464741 BFGS: 8045 21:29:30 -1583.398376 1.539229 BFGS: 8046 21:29:31 -1608.217409 11.418813 BFGS: 8047 21:29:31 -1608.218477 11.413778 BFGS: 8048 21:29:31 -1456.945759 23.673390 BFGS: 8049 21:29:31 -1583.275549 3.648423 BFGS: 8050 21:29:32 -1583.366507 2.075114 BFGS: 8051 21:29:33 -1583.396430 1.604184 BFGS: 8052 21:29:33 -1608.124946 11.916449 BFGS: 8053 21:29:34 -1608.167561 11.628617 BFGS: 8054 21:29:34 -1458.052944 23.138357 BFGS: 8055 21:29:34 -1583.353774 2.401927 BFGS: 8056 21:29:35 -1583.383914 1.608023 BFGS: 8057 21:29:35 -1583.392322 1.619725 BFGS: 8058 21:29:35 -1583.396752 1.607069 BFGS: 8059 21:29:35 -1608.051618 12.061750 BFGS: 8060 21:29:36 -1608.176294 11.579801 BFGS: 8061 21:29:36 -1456.099357 24.389118 BFGS: 8062 21:29:37 -1583.232504 4.153889 BFGS: 8063 21:29:37 -1583.343573 2.534682 BFGS: 8064 21:29:38 -1608.042775 12.054582 BFGS: 8065 21:29:38 -1583.362237 2.183322 BFGS: 8066 21:29:38 -1583.373691 1.925443 BFGS: 8067 21:29:39 -1607.943693 12.395949 BFGS: 8068 21:29:39 -1583.383570 1.676503 BFGS: 8069 21:29:39 -1583.390086 1.606642 BFGS: 8070 21:29:40 -1607.937880 12.430801 BFGS: 8071 21:29:40 -1583.394752 1.570774 BFGS: 8072 21:29:40 -1583.398098 1.542686 BFGS: 8073 21:29:40 -1607.938112 12.436671 BFGS: 8074 21:29:41 -1608.196702 11.491314 BFGS: 8075 21:29:42 -1582.445560 10.140574 BFGS: 8076 21:29:42 -1583.090720 5.660693 BFGS: 8077 21:29:42 -1608.019931 12.105097 BFGS: 8078 21:29:42 -1583.257584 3.881784 BFGS: 8079 21:29:43 -1583.319925 2.981994 BFGS: 8080 21:29:43 -1607.954566 12.366134 BFGS: 8081 21:29:44 -1583.352471 2.393420 BFGS: 8082 21:29:44 -1583.370314 2.007972 BFGS: 8083 21:29:44 -1607.941072 12.423306 BFGS: 8084 21:29:45 -1583.381441 1.731034 BFGS: 8085 21:29:45 -1583.388675 1.595540 BFGS: 8086 21:29:45 -1607.936634 12.439729 BFGS: 8087 21:29:45 -1583.393706 1.564369 BFGS: 8088 21:29:46 -1583.397304 1.538820 BFGS: 8089 21:29:46 -1607.934672 12.446427 BFGS: 8090 21:29:47 -1608.202528 11.470869 BFGS: 8091 21:29:47 -1582.445337 10.105339 BFGS: 8092 21:29:47 -1583.090535 5.661519 BFGS: 8093 21:29:48 -1608.027607 12.086561 BFGS: 8094 21:29:48 -1583.256939 3.887619 BFGS: 8095 21:29:49 -1583.319316 2.990332 BFGS: 8096 21:29:49 -1607.953770 12.369287 BFGS: 8097 21:29:49 -1583.352235 2.397979 BFGS: 8098 21:29:49 -1583.370223 2.010595 BFGS: 8099 21:29:50 -1607.942597 12.416870 BFGS: 8100 21:29:50 -1583.381342 1.733616 BFGS: 8101 21:29:51 -1583.388566 1.595886 BFGS: 8102 21:29:51 -1607.938873 12.432828 BFGS: 8103 21:29:51 -1583.393572 1.562947 BFGS: 8104 21:29:52 -1583.397152 1.536376 BFGS: 8105 21:29:52 -1607.936854 12.441117 BFGS: 8106 21:29:52 -1608.203742 11.467745 BFGS: 8107 21:29:53 -1582.441339 10.132141 BFGS: 8108 21:29:53 -1583.089890 5.664698 BFGS: 8109 21:29:54 -1608.026918 12.089404 BFGS: 8110 21:29:54 -1583.256949 3.886097 BFGS: 8111 21:29:55 -1583.319426 2.987622 BFGS: 8112 21:29:55 -1607.955822 12.364149 BFGS: 8113 21:29:56 -1583.352238 2.396847 BFGS: 8114 21:29:56 -1583.370164 2.010577 BFGS: 8115 21:29:56 -1607.944949 12.410665 BFGS: 8116 21:29:57 -1583.381238 1.734712 BFGS: 8117 21:29:57 -1583.388432 1.593054 BFGS: 8118 21:29:58 -1607.941197 12.425984 BFGS: 8119 21:29:58 -1583.393419 1.560652 BFGS: 8120 21:29:59 -1583.396985 1.534485 BFGS: 8121 21:29:59 -1607.939170 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21:30:17 -1607.966990 12.330565 BFGS: 8193 21:30:18 -1583.351640 2.408851 BFGS: 8194 21:30:18 -1583.369469 2.025750 BFGS: 8195 21:30:18 -1607.956354 12.376372 BFGS: 8196 21:30:18 -1583.380461 1.752279 BFGS: 8197 21:30:19 -1583.387589 1.590957 BFGS: 8198 21:30:19 -1607.952697 12.391852 BFGS: 8199 21:30:19 -1583.392525 1.558431 BFGS: 8200 21:30:19 -1583.396051 1.532318 BFGS: 8201 21:30:19 -1607.950672 12.400209 BFGS: 8202 21:30:20 -1608.212197 11.443739 BFGS: 8203 21:30:20 -1582.414127 10.229169 BFGS: 8204 21:30:20 -1583.087720 5.670250 BFGS: 8205 21:30:20 -1608.040627 12.048589 BFGS: 8206 21:30:21 -1583.256291 3.891350 BFGS: 8207 21:30:21 -1583.318785 2.998207 BFGS: 8208 21:30:21 -1607.969160 12.324351 BFGS: 8209 21:30:21 -1583.351510 2.411651 BFGS: 8210 21:30:22 -1583.369323 2.029009 BFGS: 8211 21:30:22 -1607.958561 12.370056 BFGS: 8212 21:30:22 -1583.380299 1.755896 BFGS: 8213 21:30:22 -1583.387416 1.590392 BFGS: 8214 21:30:23 -1607.954913 12.385552 BFGS: 8215 21:30:23 -1583.392343 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21:30:30 -1608.043565 12.034633 BFGS: 8240 21:30:31 -1583.256490 3.891012 BFGS: 8241 21:30:31 -1583.318730 3.001145 BFGS: 8242 21:30:31 -1607.972382 12.315161 BFGS: 8243 21:30:31 -1583.351327 2.416041 BFGS: 8244 21:30:32 -1583.369073 2.034441 BFGS: 8245 21:30:32 -1607.961865 12.360913 BFGS: 8246 21:30:32 -1583.380009 1.762009 BFGS: 8247 21:30:32 -1583.387100 1.588777 BFGS: 8248 21:30:33 -1607.958266 12.376122 BFGS: 8249 21:30:33 -1583.392009 1.556267 BFGS: 8250 21:30:33 -1583.395515 1.530201 BFGS: 8251 21:30:33 -1607.956255 12.384492 BFGS: 8252 21:30:34 -1583.398132 1.509041 BFGS: 8253 21:30:34 -1608.195141 11.513360 BFGS: 8254 21:30:34 -1583.398319 1.507614 BFGS: 8255 21:30:34 -1608.212533 11.447987 BFGS: 8256 21:30:35 -1583.398338 1.507598 BFGS: 8257 21:30:35 -1583.398354 1.507531 BFGS: 8258 21:30:35 -1607.904865 12.623562 BFGS: 8259 21:30:35 -1608.191613 11.518750 BFGS: 8260 21:30:36 -1582.519831 9.945917 BFGS: 8261 21:30:36 -1583.096382 5.698507 BFGS: 8262 21:30:36 -1608.047220 12.131119 BFGS: 8263 21:30:36 -1583.250105 3.963037 BFGS: 8264 21:30:36 -1583.310627 3.055491 BFGS: 8265 21:30:37 -1607.916363 12.565785 BFGS: 8266 21:30:37 -1583.345811 2.423946 BFGS: 8267 21:30:37 -1583.365852 1.999069 BFGS: 8268 21:30:37 -1607.850472 12.760135 BFGS: 8269 21:30:37 -1583.379853 1.673203 BFGS: 8270 21:30:38 -1583.389095 1.553766 BFGS: 8271 21:30:38 -1607.829652 12.801467 BFGS: 8272 21:30:38 -1583.395746 1.523074 BFGS: 8273 21:30:38 -1608.194382 11.528331 BFGS: 8274 21:30:38 -1583.396294 1.521022 BFGS: 8275 21:30:39 -1583.396802 1.517169 BFGS: 8276 21:30:39 -1608.021246 12.079862 BFGS: 8277 21:30:39 -1608.206406 11.478309 BFGS: 8278 21:30:39 -1582.460227 8.161220 BFGS: 8279 21:30:40 -1583.123403 4.621441 BFGS: 8280 21:30:40 -1608.127275 11.612696 BFGS: 8281 21:30:40 -1583.270163 3.407489 BFGS: 8282 21:30:40 -1583.320401 2.795736 BFGS: 8283 21:30:41 -1608.097712 11.712166 BFGS: 8284 21:30:41 -1583.345345 2.400272 BFGS: 8285 21:30:41 -1583.359642 2.128507 BFGS: 8286 21:30:41 -1607.985960 12.135801 BFGS: 8287 21:30:42 -1583.371972 1.861303 BFGS: 8288 21:30:42 -1583.380306 1.661415 BFGS: 8289 21:30:42 -1607.860456 12.618608 BFGS: 8290 21:30:42 -1583.388907 1.549777 BFGS: 8291 21:30:43 -1583.394907 1.518020 BFGS: 8292 21:30:43 -1607.829656 12.766978 BFGS: 8293 21:30:43 -1608.197086 11.505423 BFGS: 8294 21:30:43 -1582.655338 8.938764 BFGS: 8295 21:30:44 -1583.103360 5.493131 BFGS: 8296 21:30:44 -1607.936533 12.401931 BFGS: 8297 21:30:44 -1583.256672 3.786706 BFGS: 8298 21:30:45 -1583.318611 2.878614 BFGS: 8299 21:30:45 -1607.860023 12.680333 BFGS: 8300 21:30:45 -1583.352417 2.268451 BFGS: 8301 21:30:45 -1583.371505 1.862670 BFGS: 8302 21:30:46 -1607.843455 12.739704 BFGS: 8303 21:30:46 -1583.383623 1.585353 BFGS: 8304 21:30:46 -1583.391640 1.543815 BFGS: 8305 21:30:47 -1607.836696 12.758555 BFGS: 8306 21:30:47 -1583.397293 1.511947 BFGS: 8307 21:30:47 -1608.185774 11.567568 BFGS: 8308 21:30:48 -1583.397747 1.509681 BFGS: 8309 21:30:48 -1583.398144 1.506659 BFGS: 8310 21:30:48 -1607.868801 12.627398 BFGS: 8311 21:30:49 -1608.183097 11.573486 BFGS: 8312 21:30:49 -1582.659019 8.563270 BFGS: 8313 21:30:49 -1583.112238 5.219955 BFGS: 8314 21:30:49 -1607.953544 12.283513 BFGS: 8315 21:30:49 -1583.261072 3.650637 BFGS: 8316 21:30:50 -1583.320461 2.815475 BFGS: 8317 21:30:50 -1607.894796 12.495796 BFGS: 8318 21:30:51 -1583.352273 2.259731 BFGS: 8319 21:30:51 -1583.370373 1.885303 BFGS: 8320 21:30:51 -1607.863239 12.634248 BFGS: 8321 21:30:51 -1583.382419 1.600574 BFGS: 8322 21:30:52 -1583.390400 1.546382 BFGS: 8323 21:30:52 -1607.845820 12.716025 BFGS: 8324 21:30:52 -1583.396275 1.513184 BFGS: 8325 21:30:52 -1608.193227 11.537952 BFGS: 8326 21:30:53 -1583.396784 1.511371 BFGS: 8327 21:30:53 -1583.397211 1.508826 BFGS: 8328 21:30:53 -1608.004278 12.238832 BFGS: 8329 21:30:53 -1608.201656 11.513811 BFGS: 8330 21:30:53 -1582.250209 9.718601 BFGS: 8331 21:30:54 -1583.118929 5.059126 BFGS: 8332 21:30:54 -1583.391989 1.507025 BFGS: 8333 21:30:55 -1608.038510 12.140161 BFGS: 8334 21:30:56 -1583.394871 1.512487 BFGS: 8335 21:30:56 -1583.397044 1.505366 BFGS: 8336 21:30:57 -1607.985202 12.194269 BFGS: 8337 21:30:57 -1608.180177 11.605566 BFGS: 8338 21:30:58 -1582.477078 7.777652 BFGS: 8339 21:30:58 -1583.131261 4.454440 BFGS: 8340 21:30:58 -1608.124231 11.604501 BFGS: 8341 21:30:59 -1583.274970 3.316223 BFGS: 8342 21:30:59 -1583.323506 2.730614 BFGS: 8343 21:31:00 -1608.093279 11.740864 BFGS: 8344 21:31:00 -1583.347834 2.340956 BFGS: 8345 21:31:01 -1583.361829 2.072480 BFGS: 8346 21:31:01 -1607.974017 12.210229 BFGS: 8347 21:31:02 -1583.374129 1.802251 BFGS: 8348 21:31:02 -1583.382371 1.601275 BFGS: 8349 21:31:03 -1607.870570 12.622884 BFGS: 8350 21:31:05 -1583.390275 1.548185 BFGS: 8351 21:31:05 -1583.395758 1.515376 BFGS: 8352 21:31:06 -1607.858908 12.699120 BFGS: 8353 21:31:07 -1608.196691 11.527743 BFGS: 8354 21:31:07 -1582.612311 9.108018 BFGS: 8355 21:31:07 -1583.101278 5.468913 BFGS: 8356 21:31:08 -1607.967863 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21:31:16 -1607.882511 12.601628 BFGS: 8381 21:31:17 -1583.381673 1.614667 BFGS: 8382 21:31:17 -1583.389581 1.549680 BFGS: 8383 21:31:17 -1607.869218 12.670756 BFGS: 8384 21:31:17 -1583.395308 1.514805 BFGS: 8385 21:31:18 -1608.202359 11.519489 BFGS: 8386 21:31:18 -1583.395798 1.512820 BFGS: 8387 21:31:18 -1583.396211 1.510265 BFGS: 8388 21:31:19 -1608.004168 12.261734 BFGS: 8389 21:31:19 -1583.398747 1.495475 BFGS: 8390 21:31:19 -1608.190689 11.569660 BFGS: 8391 21:31:19 -1583.398955 1.494480 BFGS: 8392 21:31:19 -1583.399133 1.493133 BFGS: 8393 21:31:20 -1607.875689 12.645745 BFGS: 8394 21:31:20 -1608.177039 11.611086 BFGS: 8395 21:31:20 -1582.605244 8.955734 BFGS: 8396 21:31:20 -1583.105932 5.306122 BFGS: 8397 21:31:20 -1607.960211 12.335191 BFGS: 8398 21:31:21 -1583.260441 3.654834 BFGS: 8399 21:31:21 -1583.321316 2.789725 BFGS: 8400 21:31:21 -1607.899018 12.551840 BFGS: 8401 21:31:21 -1583.353605 2.223790 BFGS: 8402 21:31:21 -1583.371681 1.847428 BFGS: 8403 21:31:21 -1607.886755 12.602218 BFGS: 8404 21:31:21 -1583.383043 1.600804 BFGS: 8405 21:31:22 -1583.390525 1.560793 BFGS: 8406 21:31:22 -1607.879849 12.631526 BFGS: 8407 21:31:22 -1583.395821 1.528157 BFGS: 8408 21:31:22 -1608.200197 11.528394 BFGS: 8409 21:31:22 -1583.396260 1.524645 BFGS: 8410 21:31:22 -1583.396638 1.521022 BFGS: 8411 21:31:23 -1607.906288 12.572591 BFGS: 8412 21:31:23 -1608.196982 11.541344 BFGS: 8413 21:31:23 -1582.530772 9.340107 BFGS: 8414 21:31:23 -1583.100718 5.361044 BFGS: 8415 21:31:23 -1608.008014 12.202604 BFGS: 8416 21:31:23 -1583.259969 3.681509 BFGS: 8417 21:31:24 -1583.320446 2.822257 BFGS: 8418 21:31:24 -1607.942018 12.439313 BFGS: 8419 21:31:24 -1583.352347 2.257553 BFGS: 8420 21:31:25 -1583.369964 1.884934 BFGS: 8421 21:31:25 -1607.923975 12.506790 BFGS: 8422 21:31:25 -1583.381135 1.615128 BFGS: 8423 21:31:25 -1583.388475 1.538188 BFGS: 8424 21:31:26 -1607.903984 12.574324 BFGS: 8425 21:31:26 -1583.393915 1.499662 BFGS: 8426 21:31:26 -1583.397828 1.468824 BFGS: 8427 21:31:26 -1607.886069 12.632289 BFGS: 8428 21:31:27 -1608.185281 11.591775 BFGS: 8429 21:31:27 -1582.583756 9.177196 BFGS: 8430 21:31:27 -1583.102712 5.393046 BFGS: 8431 21:31:27 -1607.973459 12.305490 BFGS: 8432 21:31:27 -1583.259031 3.704999 BFGS: 8433 21:31:28 -1583.320223 2.824966 BFGS: 8434 21:31:28 -1607.905607 12.555766 BFGS: 8435 21:31:28 -1583.352900 2.242069 BFGS: 8436 21:31:28 -1583.371113 1.856580 BFGS: 8437 21:31:29 -1607.892072 12.612822 BFGS: 8438 21:31:29 -1583.382586 1.579941 BFGS: 8439 21:31:29 -1583.390114 1.534463 BFGS: 8440 21:31:29 -1607.886299 12.634940 BFGS: 8441 21:31:30 -1583.395422 1.501127 BFGS: 8442 21:31:30 -1608.203330 11.527099 BFGS: 8443 21:31:30 -1583.395865 1.500131 BFGS: 8444 21:31:31 -1583.396246 1.498526 BFGS: 8445 21:31:31 -1607.936929 12.457076 BFGS: 8446 21:31:31 -1608.202312 11.529473 BFGS: 8447 21:31:32 -1456.026359 24.603430 BFGS: 8448 21:31:32 -1583.239691 3.801467 BFGS: 8449 21:31:32 -1583.338915 2.435448 BFGS: 8450 21:31:32 -1607.967447 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3.710807 BFGS: 8545 21:31:53 -1583.320155 2.832082 BFGS: 8546 21:31:53 -1607.925173 12.512670 BFGS: 8547 21:31:53 -1583.352711 2.252707 BFGS: 8548 21:31:54 -1583.370708 1.871785 BFGS: 8549 21:31:54 -1607.914025 12.560129 BFGS: 8550 21:31:54 -1583.381910 1.599428 BFGS: 8551 21:31:54 -1583.389230 1.550741 BFGS: 8552 21:31:54 -1607.910315 12.575393 BFGS: 8553 21:31:54 -1583.394327 1.515915 BFGS: 8554 21:31:54 -1583.397982 1.487542 BFGS: 8555 21:31:54 -1607.908461 12.582566 BFGS: 8556 21:31:54 -1608.186766 11.599449 BFGS: 8557 21:31:54 -1582.524336 9.481503 BFGS: 8558 21:31:55 -1583.098203 5.426497 BFGS: 8559 21:31:55 -1607.996835 12.251602 BFGS: 8560 21:31:55 -1583.258526 3.714329 BFGS: 8561 21:31:55 -1583.320020 2.835200 BFGS: 8562 21:31:55 -1607.928203 12.505690 BFGS: 8563 21:31:55 -1583.352583 2.255756 BFGS: 8564 21:31:55 -1583.370563 1.875044 BFGS: 8565 21:31:56 -1607.917086 12.553075 BFGS: 8566 21:31:56 -1583.381747 1.602912 BFGS: 8567 21:31:56 -1583.389051 1.550719 BFGS: 8568 21:31:56 -1607.913387 12.568285 BFGS: 8569 21:31:56 -1583.394134 1.515758 BFGS: 8570 21:31:56 -1583.397778 1.487303 BFGS: 8571 21:31:56 -1607.911533 12.575425 BFGS: 8572 21:31:56 -1608.188431 11.595328 BFGS: 8573 21:31:57 -1582.516756 9.520613 BFGS: 8574 21:31:57 -1583.097429 5.432984 BFGS: 8575 21:31:57 -1607.999977 12.243732 BFGS: 8576 21:31:57 -1583.258335 3.717220 BFGS: 8577 21:31:57 -1583.319892 2.837854 BFGS: 8578 21:31:57 -1607.931161 12.498718 BFGS: 8579 21:31:57 -1583.352459 2.258494 BFGS: 8580 21:31:57 -1583.370422 1.878090 BFGS: 8581 21:31:58 -1607.920080 12.545968 BFGS: 8582 21:31:58 -1583.381587 1.606260 BFGS: 8583 21:31:58 -1583.388874 1.550588 BFGS: 8584 21:31:58 -1607.916392 12.561117 BFGS: 8585 21:31:58 -1583.393944 1.515577 BFGS: 8586 21:31:58 -1583.397578 1.487102 BFGS: 8587 21:31:59 -1607.914536 12.568248 BFGS: 8588 21:31:59 -1608.190065 11.591229 BFGS: 8589 21:31:59 -1582.509353 9.557431 BFGS: 8590 21:31:59 -1583.096682 5.438689 BFGS: 8591 21:32:00 -1608.002991 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21:32:03 -1583.388529 1.550708 BFGS: 8616 21:32:03 -1607.922198 12.546762 BFGS: 8617 21:32:03 -1583.393572 1.515623 BFGS: 8618 21:32:03 -1583.397184 1.487128 BFGS: 8619 21:32:03 -1607.920339 12.553954 BFGS: 8620 21:32:03 -1608.193242 11.583063 BFGS: 8621 21:32:03 -1582.495142 9.626090 BFGS: 8622 21:32:03 -1583.095290 5.448708 BFGS: 8623 21:32:03 -1608.008786 12.220975 BFGS: 8624 21:32:03 -1583.257819 3.724067 BFGS: 8625 21:32:03 -1583.319540 2.844703 BFGS: 8626 21:32:03 -1607.939609 12.477840 BFGS: 8627 21:32:03 -1583.352105 2.266137 BFGS: 8628 21:32:03 -1583.370011 1.886958 BFGS: 8629 21:32:04 -1607.928656 12.524630 BFGS: 8630 21:32:04 -1583.381120 1.616230 BFGS: 8631 21:32:04 -1583.388359 1.550767 BFGS: 8632 21:32:04 -1607.925005 12.539685 BFGS: 8633 21:32:04 -1583.393389 1.515633 BFGS: 8634 21:32:04 -1583.396991 1.487121 BFGS: 8635 21:32:04 -1607.923144 12.546915 BFGS: 8636 21:32:04 -1608.194790 11.579021 BFGS: 8637 21:32:04 -1582.488307 9.658488 BFGS: 8638 21:32:04 -1583.094641 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21:32:07 -1583.369831 1.892832 BFGS: 8663 21:32:08 -1607.935265 12.507027 BFGS: 8664 21:32:08 -1583.380858 1.623370 BFGS: 8665 21:32:08 -1583.388038 1.551114 BFGS: 8666 21:32:08 -1607.931656 12.521766 BFGS: 8667 21:32:08 -1583.393025 1.515901 BFGS: 8668 21:32:08 -1583.396594 1.487393 BFGS: 8669 21:32:09 -1607.929798 12.528898 BFGS: 8670 21:32:09 -1583.399264 1.464489 BFGS: 8671 21:32:09 -1608.176664 11.649570 BFGS: 8672 21:32:09 -1583.399457 1.463080 BFGS: 8673 21:32:10 -1608.194574 11.583672 BFGS: 8674 21:32:10 -1583.399478 1.463068 BFGS: 8675 21:32:10 -1583.399493 1.462920 BFGS: 8676 21:32:10 -1607.928805 12.562612 BFGS: 8677 21:32:10 -1608.201433 11.522058 BFGS: 8678 21:32:11 -1582.506233 9.374213 BFGS: 8679 21:32:11 -1583.104539 5.173100 BFGS: 8680 21:32:11 -1608.052855 12.228102 BFGS: 8681 21:32:11 -1583.251994 3.619130 BFGS: 8682 21:32:12 -1583.312502 2.755799 BFGS: 8683 21:32:12 -1607.931647 12.578496 BFGS: 8684 21:32:12 -1583.345027 2.232512 BFGS: 8685 21:32:12 -1583.364906 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21:32:17 -1583.399150 1.461302 BFGS: 8710 21:32:18 -1607.865861 12.747889 BFGS: 8711 21:32:18 -1608.168023 11.673906 BFGS: 8712 21:32:18 -1582.596436 9.028547 BFGS: 8713 21:32:18 -1583.107475 5.279396 BFGS: 8714 21:32:18 -1608.001876 12.313519 BFGS: 8715 21:32:18 -1583.256957 3.631450 BFGS: 8716 21:32:19 -1583.316234 2.774776 BFGS: 8717 21:32:19 -1607.895562 12.656450 BFGS: 8718 21:32:19 -1583.349956 2.186444 BFGS: 8719 21:32:19 -1583.368921 1.799398 BFGS: 8720 21:32:19 -1607.854649 12.755828 BFGS: 8721 21:32:20 -1583.381654 1.568832 BFGS: 8722 21:32:20 -1583.390022 1.521319 BFGS: 8723 21:32:20 -1607.836048 12.786454 BFGS: 8724 21:32:20 -1583.396157 1.482811 BFGS: 8725 21:32:21 -1608.185240 11.622890 BFGS: 8726 21:32:21 -1583.396694 1.479818 BFGS: 8727 21:32:21 -1583.397146 1.476453 BFGS: 8728 21:32:21 -1608.004725 12.151834 BFGS: 8729 21:32:21 -1608.194570 11.581018 BFGS: 8730 21:32:22 -1582.489015 7.470314 BFGS: 8731 21:32:22 -1583.132670 4.223540 BFGS: 8732 21:32:22 -1608.107062 11.717623 BFGS: 8733 21:32:22 -1583.276768 3.102236 BFGS: 8734 21:32:22 -1583.326127 2.540007 BFGS: 8735 21:32:23 -1608.084273 11.779413 BFGS: 8736 21:32:23 -1583.350200 2.183230 BFGS: 8737 21:32:23 -1583.363702 1.939146 BFGS: 8738 21:32:23 -1608.010280 12.066865 BFGS: 8739 21:32:23 -1583.374245 1.716934 BFGS: 8740 21:32:24 -1583.381380 1.564332 BFGS: 8741 21:32:24 -1607.898639 12.501960 BFGS: 8742 21:32:24 -1583.388789 1.520801 BFGS: 8743 21:32:24 -1583.394040 1.486214 BFGS: 8744 21:32:24 -1607.845698 12.743377 BFGS: 8745 21:32:25 -1608.196079 11.556127 BFGS: 8746 21:32:25 -1582.629269 8.780987 BFGS: 8747 21:32:25 -1583.101795 5.293138 BFGS: 8748 21:32:25 -1607.937352 12.434394 BFGS: 8749 21:32:25 -1583.257985 3.613508 BFGS: 8750 21:32:26 -1583.320025 2.730995 BFGS: 8751 21:32:26 -1607.867930 12.689547 BFGS: 8752 21:32:26 -1583.353398 2.143988 BFGS: 8753 21:32:26 -1583.372092 1.756009 BFGS: 8754 21:32:27 -1607.855577 12.744280 BFGS: 8755 21:32:27 -1583.383838 1.555653 BFGS: 8756 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1.543147 BFGS: 9861 21:37:44 -1608.010170 12.235423 BFGS: 9862 21:37:44 -1583.386146 1.500610 BFGS: 9863 21:37:44 -1583.390641 1.466339 BFGS: 9864 21:37:44 -1607.969325 12.395829 BFGS: 9865 21:37:45 -1583.394522 1.433205 BFGS: 9866 21:37:45 -1583.397379 1.405771 BFGS: 9867 21:37:45 -1607.921919 12.583065 BFGS: 9868 21:37:45 -1608.171206 11.739071 BFGS: 9869 21:37:45 -1455.021994 25.871480 BFGS: 9870 21:37:45 -1583.285657 2.919050 BFGS: 9871 21:37:45 -1583.343647 2.137295 BFGS: 9872 21:37:45 -1607.936289 12.482170 BFGS: 9873 21:37:45 -1583.365972 1.739939 BFGS: 9874 21:37:46 -1583.378899 1.548786 BFGS: 9875 21:37:46 -1607.916213 12.608191 BFGS: 9876 21:37:46 -1583.387492 1.488427 BFGS: 9877 21:37:46 -1583.393234 1.440725 BFGS: 9878 21:37:46 -1607.905653 12.665913 BFGS: 9879 21:37:46 -1583.397459 1.401590 BFGS: 9880 21:37:46 -1583.400519 1.369403 BFGS: 9881 21:37:46 -1607.900874 12.695561 BFGS: 9882 21:37:46 -1608.147537 11.837076 BFGS: 9883 21:37:47 -1455.022736 25.931341 BFGS: 9884 21:37:47 -1583.288249 2.926184 BFGS: 9885 21:37:47 -1583.345688 2.117479 BFGS: 9886 21:37:47 -1607.921153 12.572950 BFGS: 9887 21:37:47 -1583.367658 1.710335 BFGS: 9888 21:37:47 -1583.380436 1.536084 BFGS: 9889 21:37:47 -1607.907961 12.676505 BFGS: 9890 21:37:47 -1583.388763 1.474975 BFGS: 9891 21:37:47 -1583.394332 1.426713 BFGS: 9892 21:37:48 -1607.905889 12.695163 BFGS: 9893 21:37:48 -1583.398271 1.388954 BFGS: 9894 21:37:48 -1608.165654 11.781600 BFGS: 9895 21:37:48 -1583.398584 1.386504 BFGS: 9896 21:37:48 -1583.398856 1.383767 BFGS: 9897 21:37:48 -1607.912564 12.707143 BFGS: 9898 21:37:48 -1608.162030 11.798175 BFGS: 9899 21:37:48 -1582.374842 9.685149 BFGS: 9900 21:37:48 -1583.092227 5.054044 BFGS: 9901 21:37:49 -1607.995368 12.426161 BFGS: 9902 21:37:49 -1583.262664 3.316175 BFGS: 9903 21:37:49 -1583.324342 2.466887 BFGS: 9904 21:37:49 -1607.932037 12.643946 BFGS: 9905 21:37:49 -1583.356039 1.925224 BFGS: 9906 21:37:49 -1583.373212 1.589732 BFGS: 9907 21:37:49 -1607.919051 12.681766 BFGS: 9908 21:37:49 -1583.383859 1.512165 BFGS: 9909 21:37:49 -1583.390757 1.454397 BFGS: 9910 21:37:50 -1607.910714 12.697718 BFGS: 9911 21:37:50 -1583.395633 1.409709 BFGS: 9912 21:37:50 -1583.399108 1.373947 BFGS: 9913 21:37:50 -1607.905696 12.700957 BFGS: 9914 21:37:50 -1608.158990 11.818774 BFGS: 9915 21:37:50 -1454.967548 25.975737 BFGS: 9916 21:37:50 -1583.285767 2.935429 BFGS: 9917 21:37:50 -1583.344447 2.120982 BFGS: 9918 21:37:50 -1607.926041 12.563715 BFGS: 9919 21:37:51 -1583.366833 1.712897 BFGS: 9920 21:37:51 -1583.379798 1.534743 BFGS: 9921 21:37:51 -1607.911343 12.666075 BFGS: 9922 21:37:51 -1583.388256 1.473921 BFGS: 9923 21:37:51 -1583.393898 1.425806 BFGS: 9924 21:37:51 -1607.908118 12.686178 BFGS: 9925 21:37:51 -1583.397901 1.388498 BFGS: 9926 21:37:51 -1583.400807 1.357502 BFGS: 9927 21:37:52 -1607.906731 12.690343 BFGS: 9928 21:37:52 -1608.146195 11.858399 BFGS: 9929 21:37:52 -1454.983776 25.947016 BFGS: 9930 21:37:52 -1583.289560 2.894582 BFGS: 9931 21:37:52 -1583.346235 2.092644 BFGS: 9932 21:37:52 -1607.924609 12.573485 BFGS: 9933 21:37:52 -1583.367882 1.693839 BFGS: 9934 21:37:52 -1583.380478 1.532092 BFGS: 9935 21:37:52 -1607.912447 12.661623 BFGS: 9936 21:37:53 -1583.388668 1.471993 BFGS: 9937 21:37:53 -1583.394151 1.424518 BFGS: 9938 21:37:53 -1607.909903 12.680233 BFGS: 9939 21:37:53 -1583.398039 1.387564 BFGS: 9940 21:37:53 -1583.400868 1.356874 BFGS: 9941 21:37:53 -1607.908559 12.685591 BFGS: 9942 21:37:53 -1608.145673 11.859856 BFGS: 9943 21:37:53 -1454.970284 25.964206 BFGS: 9944 21:37:53 -1583.289566 2.899715 BFGS: 9945 21:37:54 -1583.346316 2.093958 BFGS: 9946 21:37:54 -1607.926133 12.571681 BFGS: 9947 21:37:54 -1583.367880 1.695469 BFGS: 9948 21:37:54 -1583.380428 1.532717 BFGS: 9949 21:37:54 -1607.914087 12.659083 BFGS: 9950 21:37:54 -1583.388587 1.472359 BFGS: 9951 21:37:54 -1583.394050 1.424754 BFGS: 9952 21:37:54 -1607.911542 12.677888 BFGS: 9953 21:37:54 -1583.397924 1.387746 BFGS: 9954 21:37:55 -1583.400743 1.357020 BFGS: 9955 21:37:55 -1607.910245 12.682899 BFGS: 9956 21:37:55 -1608.146563 11.857844 BFGS: 9957 21:37:55 -1454.954501 25.979684 BFGS: 9958 21:37:55 -1583.289178 2.907867 BFGS: 9959 21:37:55 -1583.346207 2.097016 BFGS: 9960 21:37:55 -1607.927687 12.570058 BFGS: 9961 21:37:55 -1583.367775 1.697973 BFGS: 9962 21:37:56 -1583.380318 1.533321 BFGS: 9963 21:37:56 -1607.915824 12.656499 BFGS: 9964 21:37:56 -1583.388467 1.472706 BFGS: 9965 21:37:56 -1583.393921 1.424969 BFGS: 9966 21:37:56 -1607.913306 12.675258 BFGS: 9967 21:37:56 -1583.397788 1.387907 BFGS: 9968 21:37:56 -1583.400602 1.357147 BFGS: 9969 21:37:56 -1607.912025 12.679784 BFGS: 9970 21:37:56 -1608.147593 11.855769 BFGS: 9971 21:37:56 -1454.938955 25.993385 BFGS: 9972 21:37:56 -1583.288843 2.913782 BFGS: 9973 21:37:57 -1583.346101 2.098861 BFGS: 9974 21:37:57 -1607.929250 12.568388 BFGS: 9975 21:37:57 -1583.367673 1.699632 BFGS: 9976 21:37:57 -1583.380209 1.533737 BFGS: 9977 21:37:57 -1607.917602 12.652991 BFGS: 9978 21:37:57 -1583.388347 1.472962 BFGS: 9979 21:37:57 -1583.393792 1.425164 BFGS: 9980 21:37:57 -1607.915075 12.671620 BFGS: 9981 21:37:57 -1583.397651 1.388102 BFGS: 9982 21:37:58 -1583.400459 1.357348 BFGS: 9983 21:37:58 -1607.913779 12.675881 BFGS: 9984 21:37:58 -1608.148624 11.853528 BFGS: 9985 21:37:58 -1454.925547 26.004133 BFGS: 9986 21:37:58 -1583.288601 2.917283 BFGS: 9987 21:37:58 -1583.346012 2.099809 BFGS: 9988 21:37:58 -1607.930739 12.566047 BFGS: 9989 21:37:58 -1583.367581 1.700805 BFGS: 9990 21:37:58 -1583.380108 1.534104 BFGS: 9991 21:37:59 -1607.919316 12.648669 BFGS: 9992 21:37:59 -1583.388232 1.473231 BFGS: 9993 21:37:59 -1583.393668 1.425413 BFGS: 9994 21:37:59 -1607.916789 12.667333 BFGS: 9995 21:37:59 -1583.397520 1.388368 BFGS: 9996 21:37:59 -1583.400322 1.357632 BFGS: 9997 21:37:59 -1607.915494 12.671621 BFGS: 9998 21:37:59 -1608.149616 11.851160 BFGS: 9999 21:37:59 -1454.913080 26.013902 BFGS: 10000 21:38:00 -1583.288396 2.920103 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