element(s): ['O', 'Si'] AFLOW prototype label: A2B_oI108_71_egkl2n2o_hlno Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y2', 'y3', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'x8', 'y8', 'x9', 'y9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.3344', '1.3363726', '0.52776538', '0.28813351', '0.25009714', '0.65337261', '0.70188128', '0.67655793', '0.22705716', '0.20681202', '0.71781097', '0.65583024', '0.40882094', '0.10381604', '0.29895378', '0.083541868', '0.090985543', '0.17961002', '0.25077624', '0.74891487', '0.61416299', '0.67630327', '0.70199044', '0.67522333', '0.79350697'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.28813351 0. 0. ] [0. 0.25009714 0. ] [0.25 0.25 0.25 ] [0. 0.70188128 0.67655793] [0.71781097 0.65583024 0. ] [0.40882094 0.10381604 0. ] [0.59098554 0.67961002 0.75077624] [0.24891487 0.11416299 0.17630327] [0. 0.65337261 0.5 ] [0. 0.22705716 0.20681202] [0.29895378 0.08354187 0. ] [0.20199044 0.17522333 0.29350697]] spacegroup = 71 cell = [[14.3344, 0, 0], [0, 19.1561, 0], [0, 0, 7.5652]] ========================================= Step Time Energy fmax BFGS: 0 14:22:47 -429.000059 24.310848 BFGS: 1 14:22:47 -463.957341 21.060520 BFGS: 2 14:22:47 -500.256552 19.240794 BFGS: 3 14:22:47 -537.727165 16.636137 BFGS: 4 14:22:47 -573.523606 16.518306 BFGS: 5 14:22:48 -609.396695 13.062070 BFGS: 6 14:22:48 -636.270695 13.528346 BFGS: 7 14:22:49 -658.987004 9.572604 BFGS: 8 14:22:49 -674.191658 8.535685 BFGS: 9 14:22:50 -686.433649 6.181031 BFGS: 10 14:22:50 -696.503281 4.667794 BFGS: 11 14:22:50 -702.333529 3.673607 BFGS: 12 14:22:51 -706.195275 2.645223 BFGS: 13 14:22:51 -708.297931 3.364848 BFGS: 14 14:22:51 -709.713975 3.754790 BFGS: 15 14:22:52 -711.068754 4.117607 BFGS: 16 14:22:52 -712.477477 4.458893 BFGS: 17 14:22:53 -714.899999 4.545302 BFGS: 18 14:22:53 -717.309367 4.660597 BFGS: 19 14:22:54 -719.816146 4.811417 BFGS: 20 14:22:54 -722.573265 5.004014 BFGS: 21 14:22:55 -725.795192 5.247711 BFGS: 22 14:22:55 -729.757607 5.541214 BFGS: 23 14:22:56 -734.707959 5.853354 BFGS: 24 14:22:56 -740.354533 6.021162 BFGS: 25 14:22:56 -744.752319 5.746225 BFGS: 26 14:22:56 -747.329542 5.943343 BFGS: 27 14:22:57 -749.804987 7.412306 BFGS: 28 14:22:57 -752.248539 7.981324 BFGS: 29 14:22:58 -754.632129 8.344930 BFGS: 30 14:22:58 -756.978797 8.565855 BFGS: 31 14:22:59 -759.292302 8.694511 BFGS: 32 14:22:59 -761.573426 8.758703 BFGS: 33 14:22:59 -763.823483 8.778693 BFGS: 34 14:23:00 -766.044068 8.770643 BFGS: 35 14:23:00 -768.237806 8.743960 BFGS: 36 14:23:01 -770.409043 8.708826 BFGS: 37 14:23:01 -772.563543 8.671323 BFGS: 38 14:23:01 -774.711543 8.640137 BFGS: 39 14:23:01 -776.854333 8.609197 BFGS: 40 14:23:02 -778.996899 8.581186 BFGS: 41 14:23:02 -781.164090 8.527587 BFGS: 42 14:23:02 -783.398306 8.461658 BFGS: 43 14:23:02 -785.816745 8.332380 BFGS: 44 14:23:02 -788.675418 8.018744 BFGS: 45 14:23:02 -792.143347 7.479787 BFGS: 46 14:23:03 -796.061420 7.128161 BFGS: 47 14:23:03 -798.810308 6.486789 BFGS: 48 14:23:03 -800.904050 5.344645 BFGS: 49 14:23:03 -802.924684 4.982288 BFGS: 50 14:23:03 -804.911213 5.025385 BFGS: 51 14:23:04 -806.888584 5.059166 BFGS: 52 14:23:04 -808.874478 5.083013 BFGS: 53 14:23:05 -810.873709 5.102090 BFGS: 54 14:23:05 -812.892108 5.116535 BFGS: 55 14:23:06 -814.930022 5.132255 BFGS: 56 14:23:06 -816.979294 5.143913 BFGS: 57 14:23:07 -819.029412 5.148593 BFGS: 58 14:23:07 -821.077775 5.148546 BFGS: 59 14:23:08 -823.122063 5.146105 BFGS: 60 14:23:08 -825.162274 5.181693 BFGS: 61 14:23:09 -827.195873 5.264274 BFGS: 62 14:23:09 -829.222104 5.352364 BFGS: 63 14:23:09 -831.239936 5.445951 BFGS: 64 14:23:10 -833.249171 5.544059 BFGS: 65 14:23:10 -835.246988 5.924004 BFGS: 66 14:23:10 -837.236833 6.613845 BFGS: 67 14:23:10 -839.217143 7.342906 BFGS: 68 14:23:11 -841.190756 8.116780 BFGS: 69 14:23:11 -843.155513 8.935112 BFGS: 70 14:23:11 -845.117111 9.808089 BFGS: 71 14:23:11 -847.073800 10.730005 BFGS: 72 14:23:12 -849.027833 11.718107 BFGS: 73 14:23:12 -850.980458 12.757836 BFGS: 74 14:23:13 -852.935752 13.881276 BFGS: 75 14:23:13 -854.891233 15.059583 BFGS: 76 14:23:13 -856.846006 16.338501 BFGS: 77 14:23:14 -858.799584 17.655259 BFGS: 78 14:23:14 -860.748542 19.110506 BFGS: 79 14:23:15 -862.691766 20.559502 BFGS: 80 14:23:15 -864.623961 22.187775 BFGS: 81 14:23:15 -866.540457 23.767079 BFGS: 82 14:23:15 -868.429866 25.515091 BFGS: 83 14:23:16 -870.285544 27.181065 BFGS: 84 14:23:16 -872.096530 28.971415 BFGS: 85 14:23:17 -873.844546 30.626281 BFGS: 86 14:23:17 -875.522080 32.336006 BFGS: 87 14:23:17 -877.119177 33.841655 BFGS: 88 14:23:18 -878.644891 35.358102 BFGS: 89 14:23:18 -880.101604 36.629799 BFGS: 90 14:23:18 -881.517867 37.919929 BFGS: 91 14:23:18 -882.900029 38.999659 BFGS: 92 14:23:18 -884.281171 40.110876 BFGS: 93 14:23:18 -885.660906 41.101041 BFGS: 94 14:23:19 -887.058938 42.103220 BFGS: 95 14:23:19 -888.466543 43.076991 BFGS: 96 14:23:19 -889.873390 44.046016 BFGS: 97 14:23:19 -891.278929 44.977109 BFGS: 98 14:23:20 -892.683914 45.878421 BFGS: 99 14:23:20 -894.089542 46.731570 BFGS: 100 14:23:20 -895.498101 47.550790 BFGS: 101 14:23:21 -896.911898 48.335400 BFGS: 102 14:23:21 -898.331107 49.090045 BFGS: 103 14:23:21 -899.754281 49.826695 BFGS: 104 14:23:22 -901.226429 50.323583 BFGS: 105 14:23:22 -902.841521 51.028909 BFGS: 106 14:23:22 -904.886037 51.149296 BFGS: 107 14:23:23 -907.576917 52.448581 BFGS: 108 14:23:23 -910.048853 52.544770 BFGS: 109 14:23:23 -912.755972 53.307668 BFGS: 110 14:23:24 -918.288649 49.576892 BFGS: 111 14:23:24 -923.304166 46.112256 BFGS: 112 14:23:24 -925.896244 43.351767 BFGS: 113 14:23:24 -927.242074 42.289345 BFGS: 114 14:23:25 -928.506454 41.648877 BFGS: 115 14:23:25 -929.735547 41.330473 BFGS: 116 14:23:25 -930.994349 40.999942 BFGS: 117 14:23:26 -932.254284 40.762368 BFGS: 118 14:23:26 -933.527872 40.512677 BFGS: 119 14:23:26 -935.027275 40.467110 BFGS: 120 14:23:27 -936.884786 40.434006 BFGS: 121 14:23:27 -939.394358 40.557667 BFGS: 122 14:23:28 -941.211814 40.192616 BFGS: 123 14:23:28 -945.106229 39.859316 BFGS: 124 14:23:28 -947.574226 38.097521 BFGS: 125 14:23:28 -952.574917 38.526355 BFGS: 126 14:23:29 -959.205955 38.466061 BFGS: 127 14:23:29 -967.750333 38.275596 BFGS: 128 14:23:30 -978.472045 37.745504 BFGS: 129 14:23:30 -990.926571 36.978453 BFGS: 130 14:23:31 -1005.158585 36.023593 BFGS: 131 14:23:31 -1021.186617 35.805811 BFGS: 132 14:23:31 -1039.076309 38.161674 BFGS: 133 14:23:32 -1053.817877 39.778276 BFGS: 134 14:23:32 -1061.583637 40.668444 BFGS: 135 14:23:33 -1069.312467 41.460267 BFGS: 136 14:23:33 -1076.974467 42.178655 BFGS: 137 14:23:34 -1084.569555 42.881310 BFGS: 138 14:23:34 -1092.043381 43.544206 BFGS: 139 14:23:35 -1099.379252 44.176892 BFGS: 140 14:23:35 -1106.570391 44.780332 BFGS: 141 14:23:36 -1113.625617 45.363523 BFGS: 142 14:23:36 -1120.559655 45.938499 BFGS: 143 14:23:36 -1127.387745 46.518622 BFGS: 144 14:23:37 -1133.962472 47.105973 BFGS: 145 14:23:37 -1140.268614 47.712211 BFGS: 146 14:23:37 -1146.349516 48.352946 BFGS: 147 14:23:37 -1152.260854 49.058272 BFGS: 148 14:23:37 -1158.051027 49.851748 BFGS: 149 14:23:37 -1163.793429 50.773616 BFGS: 150 14:23:38 -1169.567768 51.870592 BFGS: 151 14:23:38 -1175.271947 53.137157 BFGS: 152 14:23:38 -1180.828006 54.555487 BFGS: 153 14:23:39 -1186.276822 56.107172 BFGS: 154 14:23:39 -1191.661185 57.766850 BFGS: 155 14:23:40 -1197.007752 59.505191 BFGS: 156 14:23:40 -1202.336566 61.295747 BFGS: 157 14:23:40 -1207.643221 63.098664 BFGS: 158 14:23:41 -1212.919377 64.882993 BFGS: 159 14:23:41 -1218.154268 66.617072 BFGS: 160 14:23:41 -1223.341246 68.276884 BFGS: 161 14:23:41 -1228.455592 69.827882 BFGS: 162 14:23:42 -1233.513960 71.268892 BFGS: 163 14:23:42 -1238.453299 72.538520 BFGS: 164 14:23:42 -1243.372861 73.708340 BFGS: 165 14:23:43 -1248.124692 74.627757 BFGS: 166 14:23:43 -1252.835083 75.399245 BFGS: 167 14:23:43 -1257.405860 75.882449 BFGS: 168 14:23:43 -1261.941775 76.239941 BFGS: 169 14:23:43 -1266.325867 76.212380 BFGS: 170 14:23:44 -1270.696914 76.104058 BFGS: 171 14:23:44 -1274.883654 75.497074 BFGS: 172 14:23:44 -1279.057494 74.824623 BFGS: 173 14:23:44 -1283.032461 73.611170 BFGS: 174 14:23:44 -1286.947800 72.289046 BFGS: 175 14:23:45 -1290.673866 70.468235 BFGS: 176 14:23:45 -1294.295348 68.500376 BFGS: 177 14:23:45 -1297.752808 66.110645 BFGS: 178 14:23:46 -1301.078596 63.604071 BFGS: 179 14:23:46 -1304.264632 60.704663 BFGS: 180 14:23:46 -1307.315046 57.793189 BFGS: 181 14:23:47 -1310.261637 54.427698 BFGS: 182 14:23:47 -1313.070837 51.217044 BFGS: 183 14:23:48 -1315.818265 47.436655 BFGS: 184 14:23:48 -1318.321519 44.108149 BFGS: 185 14:23:48 -1320.340000 40.987327 BFGS: 186 14:23:49 -1322.104028 38.420554 BFGS: 187 14:23:49 -1323.617076 36.041686 BFGS: 188 14:23:49 -1324.988318 34.007215 BFGS: 189 14:23:50 -1326.224178 32.133159 BFGS: 190 14:23:50 -1327.377338 30.449578 BFGS: 191 14:23:50 -1328.450863 28.919859 BFGS: 192 14:23:50 -1329.471381 27.474079 BFGS: 193 14:23:51 -1330.442584 26.188936 BFGS: 194 14:23:51 -1331.375757 24.920670 BFGS: 195 14:23:52 -1332.277301 23.805581 BFGS: 196 14:23:52 -1333.149902 22.685915 BFGS: 197 14:23:52 -1334.001060 21.694267 BFGS: 198 14:23:52 -1334.829638 20.695162 BFGS: 199 14:23:53 -1335.642896 19.796836 BFGS: 200 14:23:53 -1336.438712 18.893984 BFGS: 201 14:23:53 -1337.222686 18.070444 BFGS: 202 14:23:54 -1337.993457 17.242719 BFGS: 203 14:23:54 -1338.755594 16.477851 BFGS: 204 14:23:54 -1339.507531 15.708586 BFGS: 205 14:23:55 -1340.253134 15.020212 BFGS: 206 14:23:55 -1340.991236 14.786947 BFGS: 207 14:23:55 -1341.725151 14.555273 BFGS: 208 14:23:55 -1342.454217 14.330870 BFGS: 209 14:23:56 -1343.181446 14.107249 BFGS: 210 14:23:56 -1343.906788 13.889669 BFGS: 211 14:23:56 -1344.633204 13.672529 BFGS: 212 14:23:57 -1345.361750 13.459800 BFGS: 213 14:23:57 -1346.095338 13.248148 BFGS: 214 14:23:58 -1346.834388 13.036045 BFGS: 215 14:23:58 -1347.578747 12.825561 BFGS: 216 14:23:58 -1348.346329 12.615489 BFGS: 217 14:23:59 -1349.167968 12.400395 BFGS: 218 14:23:59 -1350.094342 12.180830 BFGS: 219 14:23:59 -1351.164157 11.951847 BFGS: 220 14:23:59 -1352.316831 11.739551 BFGS: 221 14:24:00 -1353.618832 11.533729 BFGS: 222 14:24:00 -1355.083608 11.338305 BFGS: 223 14:24:01 -1356.765886 11.142226 BFGS: 224 14:24:01 -1358.728205 10.955322 BFGS: 225 14:24:01 -1361.133229 10.765774 BFGS: 226 14:24:02 -1363.735930 10.627408 BFGS: 227 14:24:02 -1364.894257 10.463801 BFGS: 228 14:24:02 -1365.521294 10.307119 BFGS: 229 14:24:03 -1366.090216 10.159159 BFGS: 230 14:24:03 -1366.642894 10.015087 BFGS: 231 14:24:03 -1367.189820 9.873292 BFGS: 232 14:24:03 -1367.734305 9.733480 BFGS: 233 14:24:03 -1368.278450 9.595262 BFGS: 234 14:24:04 -1368.822120 9.458784 BFGS: 235 14:24:04 -1369.366065 9.324048 BFGS: 236 14:24:04 -1369.910625 9.191031 BFGS: 237 14:24:05 -1370.455897 9.059548 BFGS: 238 14:24:05 -1371.002193 8.929684 BFGS: 239 14:24:06 -1371.549644 8.801431 BFGS: 240 14:24:06 -1372.098546 8.674699 BFGS: 241 14:24:06 -1372.649048 8.549572 BFGS: 242 14:24:06 -1373.201419 8.425957 BFGS: 243 14:24:07 -1373.755796 8.303949 BFGS: 244 14:24:07 -1374.312394 8.183482 BFGS: 245 14:24:07 -1374.871295 8.064646 BFGS: 246 14:24:08 -1375.432619 7.947399 BFGS: 247 14:24:08 -1375.996340 7.831816 BFGS: 248 14:24:08 -1376.562478 7.717866 BFGS: 249 14:24:08 -1377.129925 7.604598 BFGS: 250 14:24:09 -1377.699989 7.494181 BFGS: 251 14:24:09 -1378.271257 7.385144 BFGS: 252 14:24:10 -1378.843833 7.277607 BFGS: 253 14:24:10 -1379.417086 7.171552 BFGS: 254 14:24:10 -1379.990937 7.067100 BFGS: 255 14:24:10 -1380.565114 7.186223 BFGS: 256 14:24:11 -1381.139544 7.319443 BFGS: 257 14:24:11 -1381.714020 7.453620 BFGS: 258 14:24:11 -1382.288457 7.588741 BFGS: 259 14:24:11 -1382.862673 7.724008 BFGS: 260 14:24:11 -1383.436580 7.859393 BFGS: 261 14:24:12 -1384.010018 7.994233 BFGS: 262 14:24:12 -1384.582896 8.128505 BFGS: 263 14:24:12 -1385.155073 8.261661 BFGS: 264 14:24:13 -1385.726465 8.393690 BFGS: 265 14:24:13 -1386.296948 8.524143 BFGS: 266 14:24:13 -1386.866459 8.653443 BFGS: 267 14:24:13 -1387.434690 8.780856 BFGS: 268 14:24:13 -1388.002231 8.906874 BFGS: 269 14:24:13 -1388.568166 9.029755 BFGS: 270 14:24:13 -1389.133042 9.150941 BFGS: 271 14:24:14 -1389.696302 9.269071 BFGS: 272 14:24:14 -1390.258392 9.385393 BFGS: 273 14:24:14 -1390.818410 9.498077 BFGS: 274 14:24:14 -1391.377356 9.610564 BFGS: 275 14:24:14 -1391.934545 9.718058 BFGS: 276 14:24:14 -1392.490319 9.824844 BFGS: 277 14:24:14 -1393.044321 9.927213 BFGS: 278 14:24:15 -1393.596830 10.028473 BFGS: 279 14:24:15 -1394.147561 10.125712 BFGS: 280 14:24:15 -1394.696766 10.221551 BFGS: 281 14:24:16 -1395.244211 10.313691 BFGS: 282 14:24:16 -1395.790154 10.410316 BFGS: 283 14:24:16 -1396.334194 10.496495 BFGS: 284 14:24:16 -1396.876223 10.582230 BFGS: 285 14:24:17 -1397.416580 10.665095 BFGS: 286 14:24:17 -1397.955455 10.744273 BFGS: 287 14:24:17 -1398.493085 10.823059 BFGS: 288 14:24:18 -1399.029063 10.897373 BFGS: 289 14:24:18 -1399.563804 10.971124 BFGS: 290 14:24:18 -1400.096968 11.040719 BFGS: 291 14:24:18 -1400.628932 11.109477 BFGS: 292 14:24:19 -1401.159405 11.174453 BFGS: 293 14:24:19 -1401.688713 11.238296 BFGS: 294 14:24:19 -1402.216616 11.298657 BFGS: 295 14:24:19 -1402.743388 11.357624 BFGS: 296 14:24:20 -1403.268832 11.413321 BFGS: 297 14:24:20 -1403.793276 11.467387 BFGS: 298 14:24:20 -1404.316198 11.519673 BFGS: 299 14:24:20 -1404.838434 11.569796 BFGS: 300 14:24:20 -1405.359115 11.615991 BFGS: 301 14:24:21 -1405.879018 11.660626 BFGS: 302 14:24:21 -1406.397449 11.701228 BFGS: 303 14:24:21 -1406.915004 11.740291 BFGS: 304 14:24:21 -1407.431133 11.775199 BFGS: 305 14:24:21 -1407.946281 11.808340 BFGS: 306 14:24:22 -1408.460000 11.837234 BFGS: 307 14:24:22 -1408.972620 11.863986 BFGS: 308 14:24:22 -1409.483761 11.886375 BFGS: 309 14:24:22 -1409.993657 11.906163 BFGS: 310 14:24:23 -1410.501976 11.921418 BFGS: 311 14:24:23 -1411.008872 11.933560 BFGS: 312 14:24:24 -1411.514039 11.940925 BFGS: 313 14:24:24 -1412.017567 11.944625 BFGS: 314 14:24:25 -1412.519165 11.943231 BFGS: 315 14:24:25 -1413.018861 11.937587 BFGS: 316 14:24:25 -1413.516374 11.926460 BFGS: 317 14:24:25 -1414.011677 11.910472 BFGS: 318 14:24:26 -1414.504489 11.888547 BFGS: 319 14:24:26 -1414.994737 11.861129 BFGS: 320 14:24:26 -1415.482135 11.827275 BFGS: 321 14:24:26 -1415.966569 11.787283 BFGS: 322 14:24:27 -1416.447747 11.740322 BFGS: 323 14:24:27 -1416.925518 11.686582 BFGS: 324 14:24:27 -1417.399584 11.625332 BFGS: 325 14:24:27 -1417.869766 11.556683 BFGS: 326 14:24:27 -1418.335759 11.479995 BFGS: 327 14:24:28 -1418.797492 11.405795 BFGS: 328 14:24:28 -1419.254337 11.313929 BFGS: 329 14:24:28 -1419.706765 11.213573 BFGS: 330 14:24:28 -1420.153982 11.103216 BFGS: 331 14:24:28 -1420.595749 10.983887 BFGS: 332 14:24:29 -1421.031787 10.855044 BFGS: 333 14:24:29 -1421.461836 10.717192 BFGS: 334 14:24:29 -1421.885687 10.569771 BFGS: 335 14:24:30 -1422.303184 10.413087 BFGS: 336 14:24:30 -1422.713525 10.248079 BFGS: 337 14:24:30 -1423.117343 10.072960 BFGS: 338 14:24:31 -1423.513801 9.888603 BFGS: 339 14:24:31 -1423.903312 9.695379 BFGS: 340 14:24:31 -1424.285341 9.492563 BFGS: 341 14:24:32 -1424.659565 9.282057 BFGS: 342 14:24:32 -1425.026280 9.063330 BFGS: 343 14:24:33 -1425.385054 8.836012 BFGS: 344 14:24:33 -1425.736197 8.600989 BFGS: 345 14:24:33 -1426.079280 8.358181 BFGS: 346 14:24:34 -1426.414644 8.151753 BFGS: 347 14:24:34 -1426.741940 8.084261 BFGS: 348 14:24:35 -1427.061391 8.010849 BFGS: 349 14:24:35 -1427.372868 7.930347 BFGS: 350 14:24:36 -1427.668093 7.845820 BFGS: 351 14:24:36 -1427.947907 7.756959 BFGS: 352 14:24:36 -1428.213399 7.664591 BFGS: 353 14:24:36 -1428.465808 7.568471 BFGS: 354 14:24:37 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-2047.422370 35.201545 BFGS: 1967 14:29:31 -2048.752452 35.249661 BFGS: 1968 14:29:32 -2050.066238 35.267522 BFGS: 1969 14:29:32 -2051.362247 35.304937 BFGS: 1970 14:29:32 -2052.645536 35.302558 BFGS: 1971 14:29:32 -2053.912933 35.345083 BFGS: 1972 14:29:32 -2055.182132 35.298645 BFGS: 1973 14:29:32 -2056.395326 35.574241 BFGS: 1974 14:29:32 -2057.671031 35.640443 BFGS: 1975 14:29:32 -2058.918729 35.444867 BFGS: 1976 14:29:32 -2060.239129 35.287973 BFGS: 1977 14:29:32 -2062.097842 34.264831 BFGS: 1978 14:29:32 -2063.394216 34.301484 BFGS: 1979 14:29:33 -2064.701250 34.342192 BFGS: 1980 14:29:33 -2066.110488 34.503763 BFGS: 1981 14:29:33 -2067.482771 33.894168 BFGS: 1982 14:29:33 -2068.908218 33.525301 BFGS: 1983 14:29:33 -2070.283365 33.212918 BFGS: 1984 14:29:34 -2071.640456 32.910063 BFGS: 1985 14:29:34 -2072.989826 32.598461 BFGS: 1986 14:29:34 -2074.333381 32.274870 BFGS: 1987 14:29:34 -2075.671668 31.938936 BFGS: 1988 14:29:35 -2077.005479 31.590737 BFGS: 1989 14:29:35 -2078.339257 31.238585 BFGS: 1990 14:29:35 -2079.665775 30.874172 BFGS: 1991 14:29:35 -2080.988159 30.498860 BFGS: 1992 14:29:36 -2082.306570 30.112899 BFGS: 1993 14:29:36 -2083.621271 29.716497 BFGS: 1994 14:29:36 -2084.932468 29.309791 BFGS: 1995 14:29:36 -2086.240332 28.892937 BFGS: 1996 14:29:36 -2087.545003 28.466083 BFGS: 1997 14:29:36 -2088.846603 28.029393 BFGS: 1998 14:29:37 -2090.145265 27.583033 BFGS: 1999 14:29:37 -2091.445160 27.129701 BFGS: 2000 14:29:37 -2092.737047 26.669150 BFGS: 2001 14:29:37 -2094.026711 26.194048 BFGS: 2002 14:29:38 -2095.313995 25.710759 BFGS: 2003 14:29:38 -2096.603383 25.221307 BFGS: 2004 14:29:38 -2097.886462 24.720419 BFGS: 2005 14:29:38 -2099.166964 24.203242 BFGS: 2006 14:29:39 -2100.445625 23.682849 BFGS: 2007 14:29:39 -2101.722313 23.152637 BFGS: 2008 14:29:39 -2102.998588 22.618692 BFGS: 2009 14:29:39 -2104.270077 22.076956 BFGS: 2010 14:29:40 -2105.539192 21.524897 BFGS: 2011 14:29:40 -2106.805720 20.967855 BFGS: 2012 14:29:40 -2108.070129 20.402614 BFGS: 2013 14:29:40 -2109.331861 19.831501 BFGS: 2014 14:29:41 -2110.591281 19.253247 BFGS: 2015 14:29:41 -2111.848052 18.669187 BFGS: 2016 14:29:41 -2113.102527 18.078727 BFGS: 2017 14:29:41 -2114.357324 17.481494 BFGS: 2018 14:29:41 -2115.606247 16.879721 BFGS: 2019 14:29:42 -2116.852875 16.272584 BFGS: 2020 14:29:42 -2118.096757 15.660559 BFGS: 2021 14:29:42 -2119.337944 15.043639 BFGS: 2022 14:29:42 -2120.576341 14.614118 BFGS: 2023 14:29:43 -2121.811960 14.519372 BFGS: 2024 14:29:43 -2123.044442 14.425243 BFGS: 2025 14:29:43 -2124.274500 14.331298 BFGS: 2026 14:29:43 -2125.501448 14.238358 BFGS: 2027 14:29:44 -2126.726151 14.145758 BFGS: 2028 14:29:44 -2127.947358 14.054528 BFGS: 2029 14:29:44 -2129.165538 13.962532 BFGS: 2030 14:29:44 -2130.379147 13.873060 BFGS: 2031 14:29:45 -2131.590799 14.012940 BFGS: 2032 14:29:45 -2132.798518 14.193703 BFGS: 2033 14:29:45 -2134.003635 14.373826 BFGS: 2034 14:29:45 -2135.207792 14.552720 BFGS: 2035 14:29:46 -2136.404837 14.727464 BFGS: 2036 14:29:46 -2137.599625 14.899747 BFGS: 2037 14:29:46 -2138.790631 15.071834 BFGS: 2038 14:29:46 -2139.975234 15.241106 BFGS: 2039 14:29:47 -2141.158632 15.409502 BFGS: 2040 14:29:47 -2142.339948 15.580055 BFGS: 2041 14:29:47 -2143.516611 15.740016 BFGS: 2042 14:29:47 -2144.688966 15.905689 BFGS: 2043 14:29:48 -2145.858045 16.060168 BFGS: 2044 14:29:48 -2147.021785 16.218774 BFGS: 2045 14:29:48 -2148.182159 16.368283 BFGS: 2046 14:29:48 -2149.337215 16.520592 BFGS: 2047 14:29:49 -2150.488600 16.665362 BFGS: 2048 14:29:49 -2151.634842 16.810980 BFGS: 2049 14:29:49 -2152.776836 16.949109 BFGS: 2050 14:29:50 -2153.913362 17.088666 BFGS: 2051 14:29:50 -2155.045549 17.223336 BFGS: 2052 14:29:50 -2156.173590 17.353266 BFGS: 2053 14:29:50 -2157.296871 17.481326 BFGS: 2054 14:29:51 -2158.415534 17.604284 BFGS: 2055 14:29:51 -2159.529139 17.724767 BFGS: 2056 14:29:51 -2160.638276 17.831474 BFGS: 2057 14:29:51 -2161.741652 17.947905 BFGS: 2058 14:29:52 -2162.839858 18.056380 BFGS: 2059 14:29:52 -2163.932315 18.161095 BFGS: 2060 14:29:52 -2165.020644 18.263367 BFGS: 2061 14:29:52 -2166.104309 18.359455 BFGS: 2062 14:29:52 -2167.182112 18.455302 BFGS: 2063 14:29:53 -2168.256628 18.539744 BFGS: 2064 14:29:53 -2169.324807 18.627843 BFGS: 2065 14:29:53 -2170.388181 18.704964 BFGS: 2066 14:29:53 -2171.446087 18.784273 BFGS: 2067 14:29:53 -2172.498673 18.853997 BFGS: 2068 14:29:53 -2173.545422 18.925543 BFGS: 2069 14:29:54 -2174.588413 18.987219 BFGS: 2070 14:29:54 -2175.625297 19.051070 BFGS: 2071 14:29:54 -2176.658193 19.104865 BFGS: 2072 14:29:54 -2177.685045 19.157978 BFGS: 2073 14:29:54 -2178.707518 19.205397 BFGS: 2074 14:29:54 -2179.724090 19.251815 BFGS: 2075 14:29:55 -2180.736680 19.291008 BFGS: 2076 14:29:55 -2181.741904 19.329716 BFGS: 2077 14:29:55 -2182.743839 19.361114 BFGS: 2078 14:29:56 -2183.739586 19.435321 BFGS: 2079 14:29:56 -2184.731892 19.927296 BFGS: 2080 14:29:56 -2185.717656 20.399413 BFGS: 2081 14:29:56 -2186.700484 20.881095 BFGS: 2082 14:29:56 -2187.676829 21.341885 BFGS: 2083 14:29:57 -2188.649931 21.813026 BFGS: 2084 14:29:57 -2189.617029 22.259901 BFGS: 2085 14:29:57 -2190.581147 22.719539 BFGS: 2086 14:29:58 -2191.539056 23.153546 BFGS: 2087 14:29:58 -2192.494682 23.606494 BFGS: 2088 14:29:58 -2193.443495 24.026088 BFGS: 2089 14:29:58 -2194.390506 24.468040 BFGS: 2090 14:29:59 -2195.331605 24.875820 BFGS: 2091 14:29:59 -2196.268862 25.301339 BFGS: 2092 14:29:59 -2197.201754 25.697402 BFGS: 2093 14:29:59 -2198.132041 26.114923 BFGS: 2094 14:29:59 -2199.057347 26.507840 BFGS: 2095 14:29:59 -2199.979889 26.909348 BFGS: 2096 14:30:00 -2200.898279 27.292021 BFGS: 2097 14:30:00 -2201.813953 27.680384 BFGS: 2098 14:30:00 -2202.726435 28.053120 BFGS: 2099 14:30:00 -2203.635316 28.426310 BFGS: 2100 14:30:00 -2204.541766 28.788156 BFGS: 2101 14:30:00 -2205.445853 29.149282 BFGS: 2102 14:30:01 -2206.347784 29.501047 BFGS: 2103 14:30:01 -2207.246609 29.849345 BFGS: 2104 14:30:01 -2208.144947 30.192177 BFGS: 2105 14:30:01 -2209.039777 30.527955 BFGS: 2106 14:30:01 -2209.935059 30.858801 BFGS: 2107 14:30:01 -2210.826356 31.177942 BFGS: 2108 14:30:01 -2211.719831 31.495580 BFGS: 2109 14:30:01 -2212.610241 31.803611 BFGS: 2110 14:30:01 -2213.503288 32.109002 BFGS: 2111 14:30:02 -2214.393274 32.402681 BFGS: 2112 14:30:02 -2215.285556 32.686024 BFGS: 2113 14:30:02 -2216.176924 32.968383 BFGS: 2114 14:30:02 -2217.070343 33.241471 BFGS: 2115 14:30:02 -2217.963260 33.507137 BFGS: 2116 14:30:02 -2218.859745 33.768969 BFGS: 2117 14:30:02 -2219.755393 34.021943 BFGS: 2118 14:30:02 -2220.655723 34.262295 BFGS: 2119 14:30:02 -2221.555593 34.497574 BFGS: 2120 14:30:02 -2222.460190 34.724385 BFGS: 2121 14:30:03 -2223.365165 34.940860 BFGS: 2122 14:30:03 -2224.273565 35.151243 BFGS: 2123 14:30:03 -2225.182028 35.358080 BFGS: 2124 14:30:03 -2226.091198 35.554792 BFGS: 2125 14:30:03 -2227.001724 35.741384 BFGS: 2126 14:30:03 -2227.912099 35.914326 BFGS: 2127 14:30:03 -2228.829592 36.077928 BFGS: 2128 14:30:03 -2229.743931 36.224266 BFGS: 2129 14:30:03 -2230.666770 36.353662 BFGS: 2130 14:30:03 -2231.588910 36.477504 BFGS: 2131 14:30:03 -2232.518978 36.588871 BFGS: 2132 14:30:03 -2233.447706 36.679679 BFGS: 2133 14:30:03 -2234.388170 36.762024 BFGS: 2134 14:30:04 -2235.323942 36.821075 BFGS: 2135 14:30:04 -2236.277739 36.872034 BFGS: 2136 14:30:04 -2237.220061 36.888429 BFGS: 2137 14:30:04 -2238.210559 36.924402 BFGS: 2138 14:30:04 -2239.279315 37.050293 BFGS: 2139 14:30:04 -2240.237224 37.002022 BFGS: 2140 14:30:04 -2241.379127 36.921972 BFGS: 2141 14:30:04 -2242.379272 36.847972 BFGS: 2142 14:30:04 -2243.374286 36.714004 BFGS: 2143 14:30:04 -2244.397581 36.611100 BFGS: 2144 14:30:05 -2245.390368 36.302139 BFGS: 2145 14:30:05 -2246.409539 36.088822 BFGS: 2146 14:30:05 -2247.475518 35.905619 BFGS: 2147 14:30:05 -2248.539910 35.677977 BFGS: 2148 14:30:05 -2249.646072 35.452555 BFGS: 2149 14:30:05 -2250.784334 35.303897 BFGS: 2150 14:30:05 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-2312.009917 10.164827 BFGS: 2289 14:30:24 -2312.544922 10.412539 BFGS: 2290 14:30:24 -2313.071948 10.693126 BFGS: 2291 14:30:24 -2313.596855 11.091132 BFGS: 2292 14:30:24 -2314.119550 11.450113 BFGS: 2293 14:30:24 -2314.654149 11.994463 BFGS: 2294 14:30:25 -2315.153482 12.371755 BFGS: 2295 14:30:25 -2315.577213 12.876880 BFGS: 2296 14:30:25 -2315.846872 12.941891 BFGS: 2297 14:30:25 -2316.064903 13.075759 BFGS: 2298 14:30:25 -2316.256742 13.002639 BFGS: 2299 14:30:25 -2316.432036 13.009560 BFGS: 2300 14:30:26 -2316.593902 12.879644 BFGS: 2301 14:30:26 -2316.743672 12.814066 BFGS: 2302 14:30:26 -2316.881778 12.648199 BFGS: 2303 14:30:26 -2317.008012 12.532276 BFGS: 2304 14:30:26 -2317.122445 12.336207 BFGS: 2305 14:30:26 -2317.224675 12.176091 BFGS: 2306 14:30:27 -2317.315097 11.947393 BFGS: 2307 14:30:27 -2317.393213 11.740626 BFGS: 2308 14:30:27 -2317.459569 11.468662 BFGS: 2309 14:30:27 -2317.514816 11.206988 BFGS: 2310 14:30:27 -2317.561133 11.068546 BFGS: 2311 14:30:27 -2317.603683 11.629019 BFGS: 2312 14:30:27 -2317.648940 12.105244 BFGS: 2313 14:30:28 -2317.732691 12.651730 BFGS: 2314 14:30:28 -2317.852012 12.949835 BFGS: 2315 14:30:28 -2317.938596 12.943572 BFGS: 2316 14:30:28 -2318.003950 12.803394 BFGS: 2317 14:30:28 -2318.058005 12.650111 BFGS: 2318 14:30:28 -2318.102499 12.493930 BFGS: 2319 14:30:29 -2318.138726 12.372428 BFGS: 2320 14:30:29 -2318.167912 12.277820 BFGS: 2321 14:30:29 -2318.193437 12.283118 BFGS: 2322 14:30:29 -2318.223071 12.418316 BFGS: 2323 14:30:29 -2318.268770 12.789707 BFGS: 2324 14:30:29 -2318.336965 13.390056 BFGS: 2325 14:30:29 -2318.393194 13.764723 BFGS: 2326 14:30:30 -2318.442377 13.768223 BFGS: 2327 14:30:30 -2318.485642 13.442954 BFGS: 2328 14:30:30 -2318.524774 12.851926 BFGS: 2329 14:30:30 -2318.561295 12.102962 BFGS: 2330 14:30:30 -2318.595789 11.226167 BFGS: 2331 14:30:30 -2318.630131 10.213635 BFGS: 2332 14:30:31 -2318.664337 9.175673 BFGS: 2333 14:30:31 -2318.704859 8.756503 BFGS: 2334 14:30:31 -2318.774337 9.006287 BFGS: 2335 14:30:31 -2318.886544 9.433114 BFGS: 2336 14:30:31 -2319.040645 9.874720 BFGS: 2337 14:30:32 -2319.176455 10.142160 BFGS: 2338 14:30:32 -2319.328676 10.345195 BFGS: 2339 14:30:32 -2319.505823 10.522179 BFGS: 2340 14:30:32 -2319.711219 10.673886 BFGS: 2341 14:30:32 -2319.952155 10.814607 BFGS: 2342 14:30:32 -2320.235233 10.929712 BFGS: 2343 14:30:32 -2320.561471 11.016878 BFGS: 2344 14:30:33 -2320.872154 11.032837 BFGS: 2345 14:30:33 -2321.156245 10.951957 BFGS: 2346 14:30:33 -2321.405117 10.696103 BFGS: 2347 14:30:33 -2321.556052 10.239365 BFGS: 2348 14:30:33 -2321.639666 9.903837 BFGS: 2349 14:30:33 -2321.718539 9.788506 BFGS: 2350 14:30:34 -2321.797939 9.748832 BFGS: 2351 14:30:34 -2321.876601 9.683356 BFGS: 2352 14:30:34 -2321.940739 9.619952 BFGS: 2353 14:30:34 -2321.990959 9.588683 BFGS: 2354 14:30:34 -2322.040572 9.605591 BFGS: 2355 14:30:34 -2322.095099 9.676181 BFGS: 2356 14:30:34 -2322.154204 9.799853 BFGS: 2357 14:30:35 -2322.205003 9.967859 BFGS: 2358 14:30:35 -2322.232205 10.027726 BFGS: 2359 14:30:35 -2322.268941 10.041483 BFGS: 2360 14:30:35 -2322.310796 9.981922 BFGS: 2361 14:30:35 -2322.386510 9.834236 BFGS: 2362 14:30:35 -2322.478887 9.670180 BFGS: 2363 14:30:35 -2322.606793 9.495670 BFGS: 2364 14:30:36 -2322.781899 9.314745 BFGS: 2365 14:30:36 -2323.020141 9.124183 BFGS: 2366 14:30:36 -2323.337554 8.919929 BFGS: 2367 14:30:36 -2323.749179 8.712692 BFGS: 2368 14:30:36 -2324.293320 8.494156 BFGS: 2369 14:30:36 -2324.927441 8.286313 BFGS: 2370 14:30:36 -2325.575408 8.121722 BFGS: 2371 14:30:36 -2326.240184 7.996421 BFGS: 2372 14:30:37 -2326.937989 7.911621 BFGS: 2373 14:30:37 -2327.661359 8.855910 BFGS: 2374 14:30:37 -2328.406897 9.746257 BFGS: 2375 14:30:37 -2329.161714 10.562175 BFGS: 2376 14:30:37 -2329.932133 11.308692 BFGS: 2377 14:30:37 -2330.715866 12.001262 BFGS: 2378 14:30:37 -2331.504239 12.616874 BFGS: 2379 14:30:37 -2332.296651 13.157324 BFGS: 2380 14:30:37 -2333.083384 13.618916 BFGS: 2381 14:30:37 -2333.840560 14.000151 BFGS: 2382 14:30:37 -2334.589662 14.288687 BFGS: 2383 14:30:38 -2335.310096 14.505917 BFGS: 2384 14:30:38 -2335.953712 14.592661 BFGS: 2385 14:30:38 -2336.520523 14.602078 BFGS: 2386 14:30:38 -2337.013151 14.520657 BFGS: 2387 14:30:38 -2337.436935 14.380227 BFGS: 2388 14:30:38 -2337.797735 14.163175 BFGS: 2389 14:30:39 -2338.095553 13.902140 BFGS: 2390 14:30:39 -2338.338864 13.567581 BFGS: 2391 14:30:39 -2338.529288 13.173114 BFGS: 2392 14:30:39 -2338.668365 12.716871 BFGS: 2393 14:30:39 -2338.759267 12.202237 BFGS: 2394 14:30:39 -2338.810125 11.540957 BFGS: 2395 14:30:40 -2338.831447 11.266820 BFGS: 2396 14:30:40 -2338.876255 10.680576 BFGS: 2397 14:30:40 -2338.890854 10.635744 BFGS: 2398 14:30:40 -2338.900813 10.729504 BFGS: 2399 14:30:40 -2338.913035 10.884002 BFGS: 2400 14:30:41 -2338.941466 11.175891 BFGS: 2401 14:30:41 -2338.992108 11.495785 BFGS: 2402 14:30:41 -2339.054667 11.712244 BFGS: 2403 14:30:41 -2339.129069 11.808769 BFGS: 2404 14:30:42 -2339.211800 11.823858 BFGS: 2405 14:30:42 -2339.300619 11.780071 BFGS: 2406 14:30:42 -2339.394414 11.681000 BFGS: 2407 14:30:42 -2339.489160 11.559365 BFGS: 2408 14:30:43 -2339.587955 11.408264 BFGS: 2409 14:30:43 -2339.689312 11.241270 BFGS: 2410 14:30:43 -2339.791823 11.055299 BFGS: 2411 14:30:43 -2339.894721 10.859418 BFGS: 2412 14:30:43 -2339.997169 10.655052 BFGS: 2413 14:30:44 -2340.097593 10.450775 BFGS: 2414 14:30:44 -2340.196176 10.232843 BFGS: 2415 14:30:44 -2340.291415 10.003258 BFGS: 2416 14:30:44 -2340.381605 9.774121 BFGS: 2417 14:30:44 -2340.466155 9.528570 BFGS: 2418 14:30:44 -2340.542431 9.252214 BFGS: 2419 14:30:45 -2340.607356 8.938463 BFGS: 2420 14:30:45 -2340.659830 8.520050 BFGS: 2421 14:30:45 -2340.690322 7.985394 BFGS: 2422 14:30:45 -2340.698077 7.713419 BFGS: 2423 14:30:45 -2340.704285 7.559239 BFGS: 2424 14:30:46 -2340.709256 7.604609 BFGS: 2425 14:30:46 -2340.711927 7.788152 BFGS: 2426 14:30:46 -2340.713872 8.019448 BFGS: 2427 14:30:46 -2340.715378 8.208540 BFGS: 2428 14:30:46 -2340.716697 8.331112 BFGS: 2429 14:30:47 -2340.717737 8.353124 BFGS: 2430 14:30:47 -2340.718398 8.302436 BFGS: 2431 14:30:47 -2340.718783 8.236587 BFGS: 2432 14:30:47 -2340.719009 8.192505 BFGS: 2433 14:30:47 -2340.719147 8.174070 BFGS: 2434 14:30:47 -2340.719236 8.176722 BFGS: 2435 14:30:47 -2340.719295 8.188997 BFGS: 2436 14:30:48 -2340.719333 8.201663 BFGS: 2437 14:30:48 -2340.719355 8.207264 BFGS: 2438 14:30:48 -2340.719368 8.206160 BFGS: 2439 14:30:48 -2340.719374 8.200913 BFGS: 2440 14:30:48 -2340.719377 8.195059 BFGS: 2441 14:30:48 -2340.719378 8.189974 BFGS: 2442 14:30:49 -2340.719379 8.186348 BFGS: 2443 14:30:49 -2340.719379 8.183944 BFGS: 2444 14:30:49 -2340.719379 8.182570 BFGS: 2445 14:30:49 -2340.719379 8.181920 BFGS: 2446 14:30:49 -2340.719379 8.181777 BFGS: 2447 14:30:49 -2340.719379 8.181899 BFGS: 2448 14:30:49 -2340.719379 8.182141 BFGS: 2449 14:30:50 -2340.719379 8.182334 BFGS: 2450 14:30:50 -2340.719379 8.182532 BFGS: 2451 14:30:50 -2340.719379 8.182596 BFGS: 2452 14:30:50 -2340.719379 8.182701 BFGS: 2453 14:30:50 -2340.719379 8.182710 BFGS: 2454 14:30:50 -2340.719379 8.182705 BFGS: 2455 14:30:51 -2340.719379 8.182678 BFGS: 2456 14:30:51 -2340.719379 8.182612 BFGS: 2457 14:30:51 -2340.719379 8.182498 BFGS: 2458 14:30:51 -2340.719379 8.182300 BFGS: 2459 14:30:51 -2340.719379 8.181972 BFGS: 2460 14:30:51 -2340.719380 8.181435 BFGS: 2461 14:30:51 -2340.719380 8.180555 BFGS: 2462 14:30:52 -2340.719381 8.179127 BFGS: 2463 14:30:52 -2340.719384 8.176805 BFGS: 2464 14:30:52 -2340.719390 8.173043 BFGS: 2465 14:30:52 -2340.719408 8.166942 BFGS: 2466 14:30:52 -2340.719455 8.157055 BFGS: 2467 14:30:52 -2340.719577 8.141023 BFGS: 2468 14:30:53 -2340.719898 8.115022 BFGS: 2469 14:30:53 -2340.720739 8.072930 BFGS: 2470 14:30:53 -2340.722816 8.007364 BFGS: 2471 14:30:53 -2340.728736 7.892452 BFGS: 2472 14:30:53 -2340.743693 7.702714 BFGS: 2473 14:30:53 -2340.783335 7.401926 BFGS: 2474 14:30:54 -2340.877427 6.944130 BFGS: 2475 14:30:54 -2340.993007 6.606082 BFGS: 2476 14:30:54 -2341.127981 6.340241 BFGS: 2477 14:30:54 -2341.280180 6.261411 BFGS: 2478 14:30:54 -2341.444875 6.287184 BFGS: 2479 14:30:55 -2341.620499 6.295495 BFGS: 2480 14:30:55 -2341.804283 6.286271 BFGS: 2481 14:30:55 -2341.995092 6.265838 BFGS: 2482 14:30:55 -2342.191593 6.235090 BFGS: 2483 14:30:56 -2342.390819 6.198151 BFGS: 2484 14:30:56 -2342.587148 6.159072 BFGS: 2485 14:30:56 -2342.793312 6.107518 BFGS: 2486 14:30:56 -2343.001689 6.051717 BFGS: 2487 14:30:56 -2343.213424 5.989537 BFGS: 2488 14:30:56 -2343.425654 5.923956 BFGS: 2489 14:30:57 -2343.639163 5.854030 BFGS: 2490 14:30:57 -2343.852288 5.781564 BFGS: 2491 14:30:57 -2344.065505 5.705791 BFGS: 2492 14:30:57 -2344.277654 5.628085 BFGS: 2493 14:30:58 -2344.484492 5.551819 BFGS: 2494 14:30:58 -2344.694415 5.468686 BFGS: 2495 14:30:58 -2344.900912 5.386595 BFGS: 2496 14:30:58 -2345.107680 5.298941 BFGS: 2497 14:30:58 -2345.309791 5.213433 BFGS: 2498 14:30:59 -2345.511807 5.121507 BFGS: 2499 14:30:59 -2345.707999 5.033294 BFGS: 2500 14:30:59 -2345.904421 4.936612 BFGS: 2501 14:30:59 -2346.093414 4.846530 BFGS: 2502 14:30:59 -2346.283828 4.743907 BFGS: 2503 14:31:00 -2346.464284 4.653533 BFGS: 2504 14:31:00 -2346.648761 4.542693 BFGS: 2505 14:31:00 -2346.819216 4.454729 BFGS: 2506 14:31:00 -2346.998043 4.332531 BFGS: 2507 14:31:00 -2347.157735 4.248789 BFGS: 2508 14:31:01 -2347.329413 4.116668 BFGS: 2509 14:31:01 -2347.480162 4.031806 BFGS: 2510 14:31:01 -2347.640655 3.900140 BFGS: 2511 14:31:01 -2347.784432 3.806609 BFGS: 2512 14:31:02 -2347.932409 3.679863 BFGS: 2513 14:31:02 -2348.068519 3.577505 BFGS: 2514 14:31:02 -2348.204753 3.453348 BFGS: 2515 14:31:02 -2348.331888 3.344663 BFGS: 2516 14:31:02 -2348.456911 3.220716 BFGS: 2517 14:31:03 -2348.574228 3.107557 BFGS: 2518 14:31:03 -2348.684420 2.995688 BFGS: 2519 14:31:03 -2348.792115 2.871737 BFGS: 2520 14:31:03 -2348.894118 2.748657 BFGS: 2521 14:31:03 -2348.990408 2.628009 BFGS: 2522 14:31:04 -2349.082028 2.499621 BFGS: 2523 14:31:04 -2349.166015 2.384044 BFGS: 2524 14:31:04 -2349.246565 2.249758 BFGS: 2525 14:31:04 -2349.319172 2.131196 BFGS: 2526 14:31:04 -2349.387975 2.035668 BFGS: 2527 14:31:05 -2349.448289 1.961974 BFGS: 2528 14:31:05 -2349.504860 1.893290 BFGS: 2529 14:31:05 -2349.552572 1.846611 BFGS: 2530 14:31:05 -2349.596605 1.878596 BFGS: 2531 14:31:06 -2349.631502 1.888912 BFGS: 2532 14:31:06 -2349.662191 1.930654 BFGS: 2533 14:31:06 -2349.684379 1.949686 BFGS: 2534 14:31:06 -2349.701375 2.009592 BFGS: 2535 14:31:06 -2349.710402 2.026381 BFGS: 2536 14:31:07 -2349.713163 2.105694 BFGS: 2537 14:31:07 -2349.713391 2.069383 BFGS: 2538 14:31:07 -2349.713477 2.072326 BFGS: 2539 14:31:07 -2349.713827 2.075579 BFGS: 2540 14:31:07 -2349.714241 2.072293 BFGS: 2541 14:31:08 -2349.715468 2.038776 BFGS: 2542 14:31:08 -2349.717560 1.979732 BFGS: 2543 14:31:08 -2349.721422 1.854123 BFGS: 2544 14:31:08 -2349.727782 1.866539 BFGS: 2545 14:31:08 -2349.738986 1.944045 BFGS: 2546 14:31:09 -2349.763655 2.061409 BFGS: 2547 14:31:09 -2349.802939 2.145247 BFGS: 2548 14:31:09 -2349.857595 2.194665 BFGS: 2549 14:31:09 -2349.929777 2.207286 BFGS: 2550 14:31:10 -2350.023504 2.189402 BFGS: 2551 14:31:10 -2350.138031 2.136007 BFGS: 2552 14:31:10 -2350.273321 2.043923 BFGS: 2553 14:31:10 -2350.428546 1.904444 BFGS: 2554 14:31:10 -2350.601107 1.707956 BFGS: 2555 14:31:10 -2350.785869 1.434637 BFGS: 2556 14:31:11 -2350.970821 1.046347 BFGS: 2557 14:31:11 -2351.111628 0.543357 BFGS: 2558 14:31:11 -2351.129229 0.324376 BFGS: 2559 14:31:11 -2351.136014 0.158985 BFGS: 2560 14:31:11 -2351.138636 0.063871 BFGS: 2561 14:31:12 -2351.138830 0.090588 BFGS: 2562 14:31:12 -2351.139024 0.014173 BFGS: 2563 14:31:12 -2351.139027 0.003908 BFGS: 2564 14:31:12 -2351.139027 0.000564 BFGS: 2565 14:31:13 -2351.139027 0.000257 BFGS: 2566 14:31:13 -2351.139027 0.000145 BFGS: 2567 14:31:13 -2351.139027 0.000040 BFGS: 2568 14:31:13 -2351.139027 0.000009 BFGS: 2569 14:31:13 -2351.139027 0.000001 BFGS: 2570 14:31:14 -2351.139027 0.000001 BFGS: 2571 14:31:14 -2351.139027 0.000000 BFGS: 2572 14:31:14 -2351.139027 0.000000 BFGS: 2573 14:31:14 -2351.139027 0.000000 BFGS: 2574 14:31:14 -2351.139027 0.000000 BFGS: 2575 14:31:14 -2351.139027 0.000000 Minimization converged after 2575 steps. Maximum force component: 1.2732636477065176e-08 eV/Angstrom Maximum stress component: 2.3885932864838936e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[3.93308620e-01 0.00000000e+00 0.00000000e+00] [6.06691380e-01 8.52424923e-31 1.00000000e+00] [8.93308620e-01 5.00000000e-01 5.00000000e-01] [1.06691380e-01 5.00000000e-01 5.00000000e-01] [1.00000000e+00 3.84570462e-01 1.00000000e+00] [1.00000000e+00 6.15429538e-01 1.00000000e+00] [5.00000000e-01 8.84570462e-01 5.00000000e-01] [5.00000000e-01 1.15429538e-01 5.00000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 7.50000000e-01 2.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [1.00000000e+00 6.27883716e-01 6.16250831e-01] [1.00000000e+00 3.72116284e-01 6.16250831e-01] [1.00000000e+00 6.27883716e-01 3.83749169e-01] [1.00000000e+00 3.72116284e-01 3.83749169e-01] [5.00000000e-01 1.27883716e-01 1.16250831e-01] [5.00000000e-01 8.72116284e-01 1.16250831e-01] [5.00000000e-01 1.27883716e-01 8.83749169e-01] [5.00000000e-01 8.72116284e-01 8.83749169e-01] [7.71434716e-01 7.45443817e-01 1.00000000e+00] [2.28565284e-01 2.54556183e-01 1.00000000e+00] [2.28565284e-01 7.45443817e-01 1.00000000e+00] [7.71434716e-01 2.54556183e-01 1.00000000e+00] [2.71434716e-01 2.45443817e-01 5.00000000e-01] [7.28565284e-01 7.54556183e-01 5.00000000e-01] [7.28565284e-01 2.45443817e-01 5.00000000e-01] [2.71434716e-01 7.54556183e-01 5.00000000e-01] [2.08294127e-01 3.46527366e-02 1.00000000e+00] [7.91705873e-01 9.65347263e-01 1.00000000e+00] [7.91705873e-01 3.46527366e-02 1.00000000e+00] [2.08294127e-01 9.65347263e-01 1.00000000e+00] [7.08294127e-01 5.34652737e-01 5.00000000e-01] [2.91705873e-01 4.65347263e-01 5.00000000e-01] [2.91705873e-01 5.34652737e-01 5.00000000e-01] [7.08294127e-01 4.65347263e-01 5.00000000e-01] [6.04932387e-01 7.16280442e-01 8.77364084e-01] [3.95067613e-01 2.83719558e-01 8.77364084e-01] [3.95067613e-01 7.16280442e-01 1.22635916e-01] [6.04932387e-01 2.83719558e-01 1.22635916e-01] [1.04932387e-01 2.16280442e-01 3.77364084e-01] [8.95067613e-01 7.83719558e-01 3.77364084e-01] [8.95067613e-01 2.16280442e-01 6.22635916e-01] [1.04932387e-01 7.83719558e-01 6.22635916e-01] [3.95067613e-01 2.83719558e-01 1.22635916e-01] [6.04932387e-01 7.16280442e-01 1.22635916e-01] [6.04932387e-01 2.83719558e-01 8.77364084e-01] [3.95067613e-01 7.16280442e-01 8.77364084e-01] [8.95067613e-01 7.83719558e-01 6.22635916e-01] [1.04932387e-01 2.16280442e-01 6.22635916e-01] [1.04932387e-01 7.83719558e-01 3.77364084e-01] [8.95067613e-01 2.16280442e-01 3.77364084e-01] [1.10624824e-01 2.09228720e-01 1.26192595e-01] [8.89375176e-01 7.90771280e-01 1.26192595e-01] [8.89375176e-01 2.09228720e-01 8.73807405e-01] [1.10624824e-01 7.90771280e-01 8.73807405e-01] [6.10624824e-01 7.09228720e-01 6.26192595e-01] [3.89375176e-01 2.90771280e-01 6.26192595e-01] [3.89375176e-01 7.09228720e-01 3.73807405e-01] [6.10624824e-01 2.90771280e-01 3.73807405e-01] [8.89375176e-01 7.90771280e-01 8.73807405e-01] [1.10624824e-01 2.09228720e-01 8.73807405e-01] [1.10624824e-01 7.90771280e-01 1.26192595e-01] [8.89375176e-01 2.09228720e-01 1.26192595e-01] [3.89375176e-01 2.90771280e-01 3.73807405e-01] [6.10624824e-01 7.09228720e-01 3.73807405e-01] [6.10624824e-01 2.90771280e-01 6.26192595e-01] [3.89375176e-01 7.09228720e-01 6.26192595e-01] [1.00000000e+00 7.10177961e-01 5.00000000e-01] [1.00000000e+00 2.89822039e-01 5.00000000e-01] [5.00000000e-01 2.10177961e-01 1.00000000e+00] [5.00000000e-01 7.89822039e-01 1.00000000e+00] [1.00000000e+00 4.47282296e-01 2.46385583e-01] [1.00000000e+00 5.52717704e-01 2.46385583e-01] [0.00000000e+00 4.47282296e-01 7.53614417e-01] [1.62781604e-32 5.52717704e-01 7.53614417e-01] [5.00000000e-01 9.47282296e-01 7.46385583e-01] [5.00000000e-01 5.27177038e-02 7.46385583e-01] [5.00000000e-01 9.47282296e-01 2.53614417e-01] [5.00000000e-01 5.27177038e-02 2.53614417e-01] [1.84129825e-01 1.24576074e-01 1.00000000e+00] [8.15870175e-01 8.75423926e-01 1.00000000e+00] [8.15870175e-01 1.24576074e-01 1.00000000e+00] [1.84129825e-01 8.75423926e-01 1.00000000e+00] [6.84129825e-01 6.24576074e-01 5.00000000e-01] [3.15870175e-01 3.75423926e-01 5.00000000e-01] [3.15870175e-01 6.24576074e-01 5.00000000e-01] [6.84129825e-01 3.75423926e-01 5.00000000e-01] [1.74392675e-01 3.31330639e-01 1.88352553e-01] [8.25607325e-01 6.68669361e-01 1.88352553e-01] [8.25607325e-01 3.31330639e-01 8.11647447e-01] [1.74392675e-01 6.68669361e-01 8.11647447e-01] [6.74392675e-01 8.31330639e-01 6.88352553e-01] [3.25607325e-01 1.68669361e-01 6.88352553e-01] [3.25607325e-01 8.31330639e-01 3.11647447e-01] [6.74392675e-01 1.68669361e-01 3.11647447e-01] [8.25607325e-01 6.68669361e-01 8.11647447e-01] [1.74392675e-01 3.31330639e-01 8.11647447e-01] [1.74392675e-01 6.68669361e-01 1.88352553e-01] [8.25607325e-01 3.31330639e-01 1.88352553e-01] [3.25607325e-01 1.68669361e-01 3.11647447e-01] [6.74392675e-01 8.31330639e-01 3.11647447e-01] [6.74392675e-01 1.68669361e-01 6.88352553e-01] [3.25607325e-01 8.31330639e-01 6.88352553e-01]] cellpar = Cell([[5.907849659554942, 1.0726661055026432e-30, 1.307743980830122e-16], [-1.3254014233790623e-30, 19.56383458964558, 2.769199315066626e-15], [2.6682209953091077e-31, 1.7103902453491298e-15, 5.293224053331258]]) forces = [[-9.09962972e-09 -1.65218564e-39 -2.01426690e-25] [ 9.09962972e-09 1.92914303e-30 2.01426690e-25] [-9.09962972e-09 -1.65218294e-39 -2.01418338e-25] [ 9.09962972e-09 1.65218564e-39 2.01426690e-25] [-4.66047163e-30 5.18580504e-10 7.33867385e-26] [ 9.32094326e-30 -5.18580504e-10 -7.34368459e-26] [-1.86418865e-29 5.18580504e-10 7.34368459e-26] [ 1.86418865e-29 -5.18580504e-10 -7.34451971e-26] [ 7.94348789e-60 -1.23465154e-28 -8.35123504e-30] [-1.64048601e-27 -2.97856893e-58 -3.63133091e-44] [-2.98270184e-28 -5.41557987e-59 -6.60241984e-45] [-1.49135092e-28 -2.46930308e-28 1.67024701e-29] [ 2.98270184e-28 1.00315438e-28 2.08017549e-44] [ 1.49135092e-27 -1.23465154e-28 -6.68098803e-29] [-8.20243007e-28 1.23465154e-28 -6.80549942e-46] [ 5.96540369e-28 -1.23465154e-28 -1.67024701e-29] [ 5.93879721e-40 -7.24412270e-10 1.08078084e-08] [-9.32094326e-30 7.24412270e-10 1.08078084e-08] [ 9.32094326e-30 -7.24412270e-10 -1.08078084e-08] [-5.93879721e-40 7.24412270e-10 -1.08078084e-08] [ 5.93879721e-40 -7.24412270e-10 1.08078084e-08] [-1.86418865e-29 7.24412270e-10 1.08078084e-08] [-4.95725441e-40 -7.24412270e-10 -1.08078084e-08] [-5.93879721e-40 7.24412270e-10 -1.08078084e-08] [-4.67328970e-09 -3.80870640e-09 -6.42556971e-25] [ 4.67328970e-09 3.80870640e-09 6.42556971e-25] [ 4.67328970e-09 -3.80870640e-09 -4.35663877e-25] [-4.67328970e-09 3.80870640e-09 4.35663877e-25] [-4.67328970e-09 -3.80870640e-09 -6.42554883e-25] [ 4.67328970e-09 3.80870640e-09 6.42552796e-25] [ 4.67328970e-09 -3.80870640e-09 -4.35663877e-25] [-4.67328970e-09 3.80870640e-09 4.35663877e-25] [ 2.49636282e-09 -1.63733527e-09 -1.76501441e-25] [-2.49636282e-09 1.63733527e-09 1.76503007e-25] [-2.49636282e-09 -1.63733527e-09 -2.87017883e-25] [ 2.49636282e-09 1.63733527e-09 2.87019449e-25] [ 2.49636282e-09 -1.63733527e-09 -1.76501441e-25] [-2.49636282e-09 1.63733527e-09 1.76501441e-25] [-2.49636282e-09 -1.63733527e-09 -2.87019188e-25] [ 2.49636282e-09 1.63733527e-09 2.87019188e-25] [ 1.27326365e-08 1.78620101e-09 -5.07283919e-10] [-1.27326365e-08 -1.78620101e-09 -5.07283919e-10] [-1.27326365e-08 1.78620101e-09 5.07283919e-10] [ 1.27326365e-08 -1.78620101e-09 5.07283919e-10] [ 1.27326365e-08 1.78620101e-09 -5.07283919e-10] [-1.27326365e-08 -1.78620101e-09 -5.07283919e-10] [-1.27326365e-08 1.78620101e-09 5.07283919e-10] [ 1.27326365e-08 -1.78620101e-09 5.07283919e-10] [-1.27326365e-08 -1.78620101e-09 5.07283919e-10] [ 1.27326365e-08 1.78620101e-09 5.07283919e-10] [ 1.27326365e-08 -1.78620101e-09 -5.07283919e-10] [-1.27326365e-08 1.78620101e-09 -5.07283919e-10] [-1.27326365e-08 -1.78620101e-09 5.07283919e-10] [ 1.27326365e-08 1.78620101e-09 5.07283919e-10] [ 1.27326365e-08 -1.78620101e-09 -5.07283919e-10] [-1.27326365e-08 1.78620101e-09 -5.07283919e-10] [-1.18446530e-09 2.49171431e-10 1.75695458e-09] [ 1.18446530e-09 -2.49171431e-10 1.75695458e-09] [ 1.18446530e-09 2.49171431e-10 -1.75695458e-09] [-1.18446530e-09 -2.49171431e-10 -1.75695458e-09] [-1.18446530e-09 2.49171431e-10 1.75695458e-09] [ 1.18446530e-09 -2.49171431e-10 1.75695458e-09] [ 1.18446530e-09 2.49171431e-10 -1.75695458e-09] [-1.18446530e-09 -2.49171431e-10 -1.75695458e-09] [ 1.18446530e-09 -2.49171431e-10 -1.75695458e-09] [-1.18446530e-09 2.49171431e-10 -1.75695458e-09] [-1.18446530e-09 -2.49171431e-10 1.75695458e-09] [ 1.18446530e-09 2.49171431e-10 1.75695458e-09] [ 1.18446530e-09 -2.49171431e-10 -1.75695458e-09] [-1.18446530e-09 2.49171431e-10 -1.75695458e-09] [-1.18446530e-09 -2.49171431e-10 1.75695458e-09] [ 1.18446530e-09 2.49171431e-10 1.75695458e-09] [-5.45183275e-40 8.04727929e-09 1.13906710e-24] [ 5.45183275e-40 -8.04727929e-09 -1.13908380e-24] [-5.45183275e-40 8.04727929e-09 1.13906710e-24] [ 5.45183275e-40 -8.04727929e-09 -1.13910050e-24] [-1.83049102e-40 1.50183023e-09 -1.61290732e-09] [ 2.04414683e-41 -1.50183023e-09 -1.61290732e-09] [-2.04414683e-41 1.50183023e-09 1.61290732e-09] [ 1.83049102e-40 -1.50183023e-09 1.61290732e-09] [-1.83049102e-40 1.50183023e-09 -1.61290732e-09] [ 2.04414683e-41 -1.50183023e-09 -1.61290732e-09] [-2.04414683e-41 1.50183023e-09 1.61290732e-09] [ 1.83049102e-40 -1.50183023e-09 1.61290732e-09] [ 1.54804862e-09 -1.73715928e-09 -2.11625428e-25] [-1.54804862e-09 1.73715928e-09 2.11622296e-25] [-1.54804862e-09 -1.73715928e-09 -2.80164410e-25] [ 1.54804862e-09 1.73715928e-09 2.80123176e-25] [ 1.54804862e-09 -1.73715928e-09 -2.11622296e-25] [-1.54804862e-09 1.73715928e-09 2.11605593e-25] [-1.54804862e-09 -1.73715928e-09 -2.80156581e-25] [ 1.54804862e-09 1.73715928e-09 2.80139878e-25] [ 1.83042810e-09 -1.79362229e-09 -4.21980446e-10] [-1.83042810e-09 1.79362229e-09 -4.21980446e-10] [-1.83042810e-09 -1.79362229e-09 4.21980446e-10] [ 1.83042810e-09 1.79362229e-09 4.21980446e-10] [ 1.83042810e-09 -1.79362229e-09 -4.21980446e-10] [-1.83042810e-09 1.79362229e-09 -4.21980446e-10] [-1.83042810e-09 -1.79362229e-09 4.21980446e-10] [ 1.83042810e-09 1.79362229e-09 4.21980446e-10] [-1.83042810e-09 1.79362229e-09 4.21980446e-10] [ 1.83042810e-09 -1.79362229e-09 4.21980446e-10] [ 1.83042810e-09 1.79362229e-09 -4.21980446e-10] [-1.83042810e-09 -1.79362229e-09 -4.21980446e-10] [-1.83042810e-09 1.79362229e-09 4.21980446e-10] [ 1.83042810e-09 -1.79362229e-09 4.21980446e-10] [ 1.83042810e-09 1.79362229e-09 -4.21980446e-10] [-1.83042810e-09 -1.79362229e-09 -4.21980446e-10]] stress = [-4.77708673e-11 2.60807794e-11 -2.38859329e-10 -1.43498952e-26 -7.25747892e-42 -2.26123129e-41] energy per atom = -21.769805809824863 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0