element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:23:02 -777.868524 9.2425 BFGS: 1 17:23:02 -780.168801 9.2015 BFGS: 2 17:23:02 -782.282750 9.1599 BFGS: 3 17:23:03 -784.294451 9.1185 BFGS: 4 17:23:03 -786.243810 9.0770 BFGS: 5 17:23:03 -788.153923 9.0353 BFGS: 6 17:23:03 -790.039469 8.9931 BFGS: 7 17:23:03 -791.910321 8.9499 BFGS: 8 17:23:03 -793.771492 8.9056 BFGS: 9 17:23:03 -795.627697 8.8648 BFGS: 10 17:23:03 -797.482256 8.8243 BFGS: 11 17:23:03 -799.337368 8.7824 BFGS: 12 17:23:03 -801.194355 8.7387 BFGS: 13 17:23:03 -803.053983 8.6955 BFGS: 14 17:23:03 -804.915558 8.6482 BFGS: 15 17:23:04 -806.779686 8.5989 BFGS: 16 17:23:04 -808.645919 8.5477 BFGS: 17 17:23:04 -810.513931 8.4957 BFGS: 18 17:23:04 -812.383102 8.4408 BFGS: 19 17:23:04 -814.253109 8.3858 BFGS: 20 17:23:04 -816.121521 8.3279 BFGS: 21 17:23:04 -817.988082 8.2679 BFGS: 22 17:23:04 -819.851642 8.2064 BFGS: 23 17:23:04 -821.711253 8.1435 BFGS: 24 17:23:04 -823.566108 8.0804 BFGS: 25 17:23:04 -825.415534 8.0157 BFGS: 26 17:23:04 -827.259452 7.9492 BFGS: 27 17:23:04 -829.095832 7.8817 BFGS: 28 17:23:04 -830.923922 7.8131 BFGS: 29 17:23:04 -832.742977 7.7436 BFGS: 30 17:23:05 -834.552339 7.6743 BFGS: 31 17:23:05 -836.350929 7.6027 BFGS: 32 17:23:05 -838.139228 7.5304 BFGS: 33 17:23:05 -839.915925 7.4573 BFGS: 34 17:23:05 -841.680476 7.3832 BFGS: 35 17:23:05 -843.432407 7.3082 BFGS: 36 17:23:05 -845.171573 7.2324 BFGS: 37 17:23:05 -846.898143 7.1560 BFGS: 38 17:23:05 -848.611220 7.0778 BFGS: 39 17:23:05 -850.310586 6.9985 BFGS: 40 17:23:05 -851.996109 6.9181 BFGS: 41 17:23:05 -853.667783 6.8365 BFGS: 42 17:23:05 -855.325858 6.7537 BFGS: 43 17:23:05 -856.969162 6.6698 BFGS: 44 17:23:05 -858.597526 6.5847 BFGS: 45 17:23:05 -860.211171 6.4984 BFGS: 46 17:23:06 -861.810634 6.4119 BFGS: 47 17:23:06 -863.396430 6.3235 BFGS: 48 17:23:06 -864.969005 6.2341 BFGS: 49 17:23:06 -866.528947 6.1438 BFGS: 50 17:23:06 -868.077323 6.0533 BFGS: 51 17:23:06 -869.614874 5.9614 BFGS: 52 17:23:06 -871.143666 5.8703 BFGS: 53 17:23:06 -872.665722 5.7773 BFGS: 54 17:23:06 -874.181106 5.6872 BFGS: 55 17:23:06 -875.691290 5.6060 BFGS: 56 17:23:06 -877.198279 5.5254 BFGS: 57 17:23:06 -878.703935 5.4473 BFGS: 58 17:23:06 -880.210205 5.3676 BFGS: 59 17:23:06 -881.719731 5.2906 BFGS: 60 17:23:06 -883.233461 5.2150 BFGS: 61 17:23:07 -884.753316 5.1435 BFGS: 62 17:23:07 -886.302661 5.0751 BFGS: 63 17:23:07 -887.898228 5.0100 BFGS: 64 17:23:07 -889.560576 4.9532 BFGS: 65 17:23:07 -891.310161 4.9046 BFGS: 66 17:23:07 -893.164880 4.8668 BFGS: 67 17:23:07 -895.137469 4.8417 BFGS: 68 17:23:07 -897.235641 4.8298 BFGS: 69 17:23:07 -899.461921 4.8299 BFGS: 70 17:23:07 -901.820819 4.8443 BFGS: 71 17:23:07 -904.309319 4.8714 BFGS: 72 17:23:08 -906.936914 4.9112 BFGS: 73 17:23:08 -909.698102 4.9633 BFGS: 74 17:23:08 -912.605543 5.0292 BFGS: 75 17:23:08 -915.640193 5.1064 BFGS: 76 17:23:08 -918.810699 5.1938 BFGS: 77 17:23:08 -921.913012 5.2833 BFGS: 78 17:23:08 -925.367470 5.3861 BFGS: 79 17:23:08 -928.812905 5.4995 BFGS: 80 17:23:08 -932.063983 5.6094 BFGS: 81 17:23:08 -935.930067 5.7408 BFGS: 82 17:23:08 -939.770510 5.8698 BFGS: 83 17:23:08 -943.966395 6.1098 BFGS: 84 17:23:08 -948.127807 6.3555 BFGS: 85 17:23:08 -951.561230 6.5774 BFGS: 86 17:23:08 -955.487784 6.8121 BFGS: 87 17:23:08 -959.398408 7.0431 BFGS: 88 17:23:08 -963.029270 7.2499 BFGS: 89 17:23:08 -966.862407 7.4593 BFGS: 90 17:23:08 -970.656853 7.6703 BFGS: 91 17:23:08 -974.455643 7.8722 BFGS: 92 17:23:08 -977.609081 7.9897 BFGS: 93 17:23:08 -981.442366 8.2320 BFGS: 94 17:23:09 -984.961242 8.4322 BFGS: 95 17:23:09 -988.379172 8.6211 BFGS: 96 17:23:09 -991.680327 8.7985 BFGS: 97 17:23:09 -994.860307 8.9626 BFGS: 98 17:23:09 -997.933958 9.1173 BFGS: 99 17:23:09 -1000.916328 9.2577 BFGS: 100 17:23:09 -1003.830983 9.3906 BFGS: 101 17:23:09 -1006.683579 9.5129 BFGS: 102 17:23:09 -1009.482632 9.6246 BFGS: 103 17:23:09 -1012.230761 9.7248 BFGS: 104 17:23:09 -1014.934285 9.8158 BFGS: 105 17:23:09 -1017.587575 9.8968 BFGS: 106 17:23:09 -1020.191144 9.9689 BFGS: 107 17:23:09 -1022.741759 10.0320 BFGS: 108 17:23:09 -1025.239488 10.0881 BFGS: 109 17:23:09 -1027.682948 10.1376 BFGS: 110 17:23:09 -1030.076399 10.1809 BFGS: 111 17:23:09 -1032.420675 10.2209 BFGS: 112 17:23:09 -1034.721248 10.2586 BFGS: 113 17:23:09 -1036.982184 10.2930 BFGS: 114 17:23:09 -1039.210216 10.3282 BFGS: 115 17:23:09 -1041.409129 10.3600 BFGS: 116 17:23:10 -1043.584866 10.3910 BFGS: 117 17:23:10 -1045.746176 10.4214 BFGS: 118 17:23:10 -1047.895073 10.4528 BFGS: 119 17:23:10 -1050.037535 10.4831 BFGS: 120 17:23:10 -1052.174689 10.5133 BFGS: 121 17:23:10 -1054.309367 10.5431 BFGS: 122 17:23:10 -1056.444025 10.5714 BFGS: 123 17:23:10 -1058.579883 10.6001 BFGS: 124 17:23:10 -1060.714990 10.6277 BFGS: 125 17:23:10 -1062.847281 10.6566 BFGS: 126 17:23:10 -1064.990531 10.6834 BFGS: 127 17:23:10 -1067.122125 10.7109 BFGS: 128 17:23:10 -1069.323789 10.7429 BFGS: 129 17:23:10 -1071.513663 10.7736 BFGS: 130 17:23:10 -1073.793730 10.8054 BFGS: 131 17:23:10 -1075.987768 10.8470 BFGS: 132 17:23:10 -1078.181270 10.8821 BFGS: 133 17:23:10 -1080.375128 10.9186 BFGS: 134 17:23:10 -1082.567823 10.9561 BFGS: 135 17:23:10 -1084.764040 10.9902 BFGS: 136 17:23:10 -1086.953519 11.0227 BFGS: 137 17:23:10 -1089.141615 11.0546 BFGS: 138 17:23:11 -1091.315592 11.0857 BFGS: 139 17:23:11 -1093.478588 11.1157 BFGS: 140 17:23:11 -1095.620195 11.1458 BFGS: 141 17:23:11 -1097.737777 11.1747 BFGS: 142 17:23:11 -1099.826074 11.2063 BFGS: 143 17:23:11 -1101.882721 11.2320 BFGS: 144 17:23:11 -1103.903101 11.2593 BFGS: 145 17:23:11 -1105.895257 11.2833 BFGS: 146 17:23:11 -1107.849801 11.3138 BFGS: 147 17:23:11 -1109.781511 11.4349 BFGS: 148 17:23:11 -1111.683092 11.6218 BFGS: 149 17:23:11 -1113.569939 11.7364 BFGS: 150 17:23:11 -1115.435149 11.9159 BFGS: 151 17:23:11 -1117.292434 12.0321 BFGS: 152 17:23:11 -1119.134038 12.2018 BFGS: 153 17:23:11 -1120.973051 12.3232 BFGS: 154 17:23:11 -1122.803448 12.4838 BFGS: 155 17:23:11 -1124.631963 12.6096 BFGS: 156 17:23:11 -1126.454733 12.7623 BFGS: 157 17:23:11 -1128.276063 12.8893 BFGS: 158 17:23:11 -1130.092757 13.0349 BFGS: 159 17:23:11 -1131.907290 13.1604 BFGS: 160 17:23:12 -1133.717319 13.2984 BFGS: 161 17:23:12 -1135.524614 13.4199 BFGS: 162 17:23:12 -1137.325994 13.5512 BFGS: 163 17:23:12 -1139.124294 13.6665 BFGS: 164 17:23:12 -1140.916390 13.7902 BFGS: 165 17:23:12 -1142.704395 13.8978 BFGS: 166 17:23:12 -1144.485787 14.0125 BFGS: 167 17:23:12 -1146.261776 14.1133 BFGS: 168 17:23:12 -1148.030350 14.2181 BFGS: 169 17:23:12 -1149.787314 14.3091 BFGS: 170 17:23:12 -1151.529950 14.4039 BFGS: 171 17:23:12 -1153.258497 14.4855 BFGS: 172 17:23:12 -1154.975646 14.5662 BFGS: 173 17:23:12 -1156.680724 14.6403 BFGS: 174 17:23:12 -1158.374877 14.7112 BFGS: 175 17:23:12 -1160.059464 14.7713 BFGS: 176 17:23:12 -1161.733375 14.8329 BFGS: 177 17:23:12 -1163.400265 14.8809 BFGS: 178 17:23:12 -1165.058101 14.9337 BFGS: 179 17:23:12 -1166.711845 14.9740 BFGS: 180 17:23:12 -1168.358200 15.0163 BFGS: 181 17:23:13 -1170.004014 15.0478 BFGS: 182 17:23:13 -1171.647912 15.0857 BFGS: 183 17:23:13 -1173.299877 15.0874 BFGS: 184 17:23:13 -1174.948991 15.1312 BFGS: 185 17:23:13 -1176.693369 14.7420 BFGS: 186 17:23:13 -1178.415689 14.6175 BFGS: 187 17:23:13 -1180.149682 14.6799 BFGS: 188 17:23:13 -1181.970795 14.7542 BFGS: 189 17:23:13 -1183.840995 14.8098 BFGS: 190 17:23:13 -1185.826307 14.8581 BFGS: 191 17:23:13 -1187.907753 14.8415 BFGS: 192 17:23:13 -1190.138055 14.8514 BFGS: 193 17:23:13 -1192.505252 14.7333 BFGS: 194 17:23:13 -1195.050050 14.7017 BFGS: 195 17:23:13 -1197.731148 14.4371 BFGS: 196 17:23:13 -1200.597055 14.5003 BFGS: 197 17:23:13 -1203.453328 14.8373 BFGS: 198 17:23:13 -1206.523129 13.1445 BFGS: 199 17:23:13 -1209.381658 12.7238 BFGS: 200 17:23:13 -1212.096455 12.4132 BFGS: 201 17:23:13 -1214.588999 12.1770 BFGS: 202 17:23:14 -1216.852122 11.9977 BFGS: 203 17:23:14 -1218.935196 11.9061 BFGS: 204 17:23:14 -1220.886319 11.8378 BFGS: 205 17:23:14 -1222.736180 11.7823 BFGS: 206 17:23:14 -1224.512115 11.7256 BFGS: 207 17:23:14 -1226.228463 11.6641 BFGS: 208 17:23:14 -1227.899162 11.5934 BFGS: 209 17:23:14 -1229.531957 11.5096 BFGS: 210 17:23:14 -1231.133543 11.4099 BFGS: 211 17:23:14 -1232.706805 11.2924 BFGS: 212 17:23:14 -1234.256129 11.1571 BFGS: 213 17:23:14 -1235.783853 11.0044 BFGS: 214 17:23:14 -1237.291878 10.8277 BFGS: 215 17:23:14 -1238.780111 10.6309 BFGS: 216 17:23:14 -1240.251225 10.4139 BFGS: 217 17:23:14 -1241.704593 10.1773 BFGS: 218 17:23:14 -1243.144634 9.9512 BFGS: 219 17:23:14 -1244.574396 9.9790 BFGS: 220 17:23:14 -1245.998703 10.0118 BFGS: 221 17:23:14 -1247.421207 10.0498 BFGS: 222 17:23:14 -1248.847083 10.0942 BFGS: 223 17:23:15 -1250.278255 10.1424 BFGS: 224 17:23:15 -1251.716261 10.1918 BFGS: 225 17:23:15 -1253.159635 10.2456 BFGS: 226 17:23:15 -1254.619003 10.2951 BFGS: 227 17:23:15 -1256.105341 10.3482 BFGS: 228 17:23:15 -1257.629516 10.4032 BFGS: 229 17:23:15 -1259.194478 10.4617 BFGS: 230 17:23:15 -1260.805793 10.5137 BFGS: 231 17:23:15 -1262.457784 10.5679 BFGS: 232 17:23:15 -1264.149849 10.6171 BFGS: 233 17:23:15 -1265.868569 10.6606 BFGS: 234 17:23:15 -1267.613724 10.6927 BFGS: 235 17:23:15 -1269.322958 10.7414 BFGS: 236 17:23:15 -1271.085795 10.7729 BFGS: 237 17:23:15 -1272.831119 10.7827 BFGS: 238 17:23:15 -1274.574639 10.7935 BFGS: 239 17:23:15 -1276.302928 10.8039 BFGS: 240 17:23:15 -1278.009216 10.8088 BFGS: 241 17:23:15 -1279.690002 10.8084 BFGS: 242 17:23:16 -1281.343002 10.8024 BFGS: 243 17:23:16 -1282.967622 10.7914 BFGS: 244 17:23:16 -1284.558280 10.7737 BFGS: 245 17:23:16 -1286.106440 10.7439 BFGS: 246 17:23:16 -1287.606819 10.7025 BFGS: 247 17:23:16 -1289.057219 10.6553 BFGS: 248 17:23:16 -1290.478320 10.6068 BFGS: 249 17:23:16 -1291.879488 10.5603 BFGS: 250 17:23:16 -1293.259332 10.5129 BFGS: 251 17:23:16 -1294.619682 10.4664 BFGS: 252 17:23:16 -1295.964031 10.4194 BFGS: 253 17:23:16 -1297.289467 10.3758 BFGS: 254 17:23:16 -1298.599009 10.3285 BFGS: 255 17:23:16 -1299.902890 10.2825 BFGS: 256 17:23:16 -1301.195370 10.2362 BFGS: 257 17:23:16 -1302.478399 10.1904 BFGS: 258 17:23:16 -1303.751455 10.1455 BFGS: 259 17:23:16 -1305.012028 10.1003 BFGS: 260 17:23:16 -1306.259084 10.0552 BFGS: 261 17:23:16 -1307.494708 10.0111 BFGS: 262 17:23:17 -1308.715777 9.9664 BFGS: 263 17:23:17 -1309.934772 9.9228 BFGS: 264 17:23:17 -1311.137151 9.8790 BFGS: 265 17:23:17 -1312.338517 9.8346 BFGS: 266 17:23:17 -1313.535256 9.7920 BFGS: 267 17:23:17 -1314.723199 9.7485 BFGS: 268 17:23:17 -1315.908785 9.7057 BFGS: 269 17:23:17 -1317.089568 9.6634 BFGS: 270 17:23:17 -1318.260696 9.6237 BFGS: 271 17:23:17 -1319.429164 9.5822 BFGS: 272 17:23:17 -1320.593484 9.5411 BFGS: 273 17:23:17 -1321.753558 9.5012 BFGS: 274 17:23:17 -1322.900975 9.4606 BFGS: 275 17:23:17 -1324.050482 9.4205 BFGS: 276 17:23:17 -1325.198531 9.3813 BFGS: 277 17:23:17 -1326.343298 9.3426 BFGS: 278 17:23:17 -1327.481742 9.3041 BFGS: 279 17:23:17 -1328.620072 9.2683 BFGS: 280 17:23:17 -1329.748982 9.2312 BFGS: 281 17:23:17 -1330.881849 9.1951 BFGS: 282 17:23:18 -1332.012345 9.1597 BFGS: 283 17:23:18 -1333.140047 9.1250 BFGS: 284 17:23:18 -1334.264950 9.0910 BFGS: 285 17:23:18 -1335.382075 9.0576 BFGS: 286 17:23:18 -1336.501452 9.0249 BFGS: 287 17:23:18 -1337.617052 8.9931 BFGS: 288 17:23:18 -1338.729356 8.9620 BFGS: 289 17:23:18 -1339.837831 8.9315 BFGS: 290 17:23:18 -1340.942471 8.9098 BFGS: 291 17:23:18 -1342.037335 8.9006 BFGS: 292 17:23:18 -1343.133658 8.8880 BFGS: 293 17:23:18 -1344.215804 8.8750 BFGS: 294 17:23:18 -1345.302354 8.8571 BFGS: 295 17:23:18 -1346.383612 8.8416 BFGS: 296 17:23:18 -1347.447471 8.8196 BFGS: 297 17:23:18 -1348.514463 8.7962 BFGS: 298 17:23:18 -1349.554873 8.7742 BFGS: 299 17:23:18 -1350.604095 8.7475 BFGS: 300 17:23:18 -1351.652475 8.7200 BFGS: 301 17:23:19 -1352.689952 8.6951 BFGS: 302 17:23:19 -1353.696346 8.6662 BFGS: 303 17:23:19 -1354.703858 8.6345 BFGS: 304 17:23:19 -1355.714748 8.6024 BFGS: 305 17:23:19 -1356.695432 8.5706 BFGS: 306 17:23:19 -1357.678781 8.5374 BFGS: 307 17:23:19 -1358.655056 8.5043 BFGS: 308 17:23:19 -1359.636093 8.4690 BFGS: 309 17:23:19 -1360.613008 8.4325 BFGS: 310 17:23:19 -1361.613562 8.4052 BFGS: 311 17:23:19 -1362.631736 8.3865 BFGS: 312 17:23:19 -1363.646110 8.3586 BFGS: 313 17:23:19 -1364.639936 8.3122 BFGS: 314 17:23:19 -1365.784329 8.2956 BFGS: 315 17:23:19 -1366.975930 8.2813 BFGS: 316 17:23:19 -1368.210110 8.2920 BFGS: 317 17:23:19 -1369.484043 8.3075 BFGS: 318 17:23:19 -1370.848498 8.3231 BFGS: 319 17:23:19 -1372.257121 8.3448 BFGS: 320 17:23:19 -1373.746012 8.3647 BFGS: 321 17:23:20 -1375.261572 8.3856 BFGS: 322 17:23:20 -1376.785288 8.4075 BFGS: 323 17:23:20 -1378.307453 8.4298 BFGS: 324 17:23:20 -1379.826639 8.4559 BFGS: 325 17:23:20 -1381.434745 8.4805 BFGS: 326 17:23:20 -1383.033466 8.5075 BFGS: 327 17:23:20 -1384.595035 8.5315 BFGS: 328 17:23:20 -1386.119620 8.5570 BFGS: 329 17:23:20 -1387.619710 8.5795 BFGS: 330 17:23:20 -1389.073354 8.6011 BFGS: 331 17:23:20 -1390.466962 8.6223 BFGS: 332 17:23:20 -1391.804887 8.6422 BFGS: 333 17:23:20 -1393.073177 8.6601 BFGS: 334 17:23:20 -1394.268281 8.6762 BFGS: 335 17:23:20 -1395.394353 8.6883 BFGS: 336 17:23:20 -1396.447941 8.6986 BFGS: 337 17:23:20 -1397.450216 8.7097 BFGS: 338 17:23:20 -1398.426349 8.7194 BFGS: 339 17:23:20 -1399.403568 8.7294 BFGS: 340 17:23:21 -1400.404667 8.7386 BFGS: 341 17:23:21 -1401.436251 8.7483 BFGS: 342 17:23:21 -1402.510473 8.7571 BFGS: 343 17:23:21 -1403.627866 8.7659 BFGS: 344 17:23:21 -1404.790864 8.7747 BFGS: 345 17:23:21 -1405.990841 8.7860 BFGS: 346 17:23:21 -1407.225574 8.7950 BFGS: 347 17:23:21 -1408.491491 8.8018 BFGS: 348 17:23:21 -1409.783885 8.8086 BFGS: 349 17:23:21 -1411.104267 8.8137 BFGS: 350 17:23:21 -1412.442773 8.8200 BFGS: 351 17:23:21 -1413.805364 8.8233 BFGS: 352 17:23:21 -1415.177824 8.8278 BFGS: 353 17:23:21 -1416.573541 8.8292 BFGS: 354 17:23:21 -1417.974215 8.8291 BFGS: 355 17:23:21 -1419.399612 8.8299 BFGS: 356 17:23:21 -1420.825626 8.8283 BFGS: 357 17:23:21 -1422.275333 8.8255 BFGS: 358 17:23:21 -1423.724394 8.8207 BFGS: 359 17:23:21 -1425.198691 8.8157 BFGS: 360 17:23:22 -1426.671736 8.8080 BFGS: 361 17:23:22 -1428.167279 8.7993 BFGS: 362 17:23:22 -1429.666332 8.7891 BFGS: 363 17:23:22 -1431.186454 8.7786 BFGS: 364 17:23:22 -1432.710816 8.7686 BFGS: 365 17:23:22 -1434.253170 8.7538 BFGS: 366 17:23:22 -1435.803662 8.7388 BFGS: 367 17:23:22 -1437.376857 8.7211 BFGS: 368 17:23:22 -1438.961984 8.7017 BFGS: 369 17:23:22 -1440.569690 8.6822 BFGS: 370 17:23:22 -1442.191471 8.6624 BFGS: 371 17:23:22 -1443.834170 8.6372 BFGS: 372 17:23:22 -1445.497092 8.6119 BFGS: 373 17:23:22 -1447.185868 8.5845 BFGS: 374 17:23:22 -1448.897275 8.5531 BFGS: 375 17:23:22 -1450.638071 8.5194 BFGS: 376 17:23:22 -1452.404490 8.4833 BFGS: 377 17:23:22 -1454.203112 8.4445 BFGS: 378 17:23:22 -1456.030365 8.4355 BFGS: 379 17:23:23 -1457.891817 8.4415 BFGS: 380 17:23:23 -1459.782896 8.4460 BFGS: 381 17:23:23 -1461.622720 8.4487 BFGS: 382 17:23:23 -1463.384538 8.4475 BFGS: 383 17:23:23 -1465.066370 8.4589 BFGS: 384 17:23:23 -1466.685810 8.5249 BFGS: 385 17:23:23 -1468.244469 8.5877 BFGS: 386 17:23:23 -1469.755860 8.6459 BFGS: 387 17:23:23 -1471.221383 8.7005 BFGS: 388 17:23:23 -1472.649862 8.7538 BFGS: 389 17:23:23 -1474.042623 8.8019 BFGS: 390 17:23:23 -1475.409266 8.8477 BFGS: 391 17:23:23 -1476.746980 8.8897 BFGS: 392 17:23:23 -1478.064517 8.9289 BFGS: 393 17:23:23 -1479.355840 8.9689 BFGS: 394 17:23:23 -1480.629383 9.0009 BFGS: 395 17:23:23 -1481.879245 9.0321 BFGS: 396 17:23:23 -1483.115732 9.0613 BFGS: 397 17:23:24 -1484.326427 9.0887 BFGS: 398 17:23:24 -1485.528205 9.1138 BFGS: 399 17:23:24 -1486.708949 9.1352 BFGS: 400 17:23:24 -1487.882278 9.1567 BFGS: 401 17:23:24 -1489.032487 9.1721 BFGS: 402 17:23:24 -1490.177011 9.1880 BFGS: 403 17:23:24 -1491.296690 9.1960 BFGS: 404 17:23:24 -1492.408539 9.2115 BFGS: 405 17:23:24 -1493.497419 9.2190 BFGS: 406 17:23:24 -1494.583191 9.2273 BFGS: 407 17:23:24 -1495.648430 9.2326 BFGS: 408 17:23:24 -1496.709120 9.2370 BFGS: 409 17:23:24 -1497.750908 9.2391 BFGS: 410 17:23:24 -1498.786766 9.2403 BFGS: 411 17:23:24 -1499.806219 9.2368 BFGS: 412 17:23:24 -1500.816773 9.2371 BFGS: 413 17:23:24 -1501.812037 9.2343 BFGS: 414 17:23:24 -1502.798024 9.2311 BFGS: 415 17:23:25 -1503.770253 9.2254 BFGS: 416 17:23:25 -1504.734717 9.2297 BFGS: 417 17:23:25 -1505.685341 9.2416 BFGS: 418 17:23:25 -1506.626692 9.2541 BFGS: 419 17:23:25 -1507.556630 9.2658 BFGS: 420 17:23:25 -1508.477529 9.2777 BFGS: 421 17:23:25 -1509.386560 9.2886 BFGS: 422 17:23:25 -1510.287745 9.2996 BFGS: 423 17:23:25 -1511.177734 9.3098 BFGS: 424 17:23:25 -1512.059516 9.3201 BFGS: 425 17:23:25 -1512.930618 9.3296 BFGS: 426 17:23:25 -1513.793472 9.3391 BFGS: 427 17:23:25 -1514.643076 9.3487 BFGS: 428 17:23:25 -1515.483282 9.3571 BFGS: 429 17:23:25 -1516.314402 9.3642 BFGS: 430 17:23:25 -1517.125582 9.3746 BFGS: 431 17:23:25 -1517.923874 9.3810 BFGS: 432 17:23:26 -1518.713821 9.3890 BFGS: 433 17:23:26 -1519.494004 9.3951 BFGS: 434 17:23:26 -1520.268314 9.4015 BFGS: 435 17:23:26 -1521.030505 9.4075 BFGS: 436 17:23:26 -1521.788343 9.4139 BFGS: 437 17:23:26 -1522.539287 9.4196 BFGS: 438 17:23:26 -1523.281238 9.4260 BFGS: 439 17:23:26 -1524.014643 9.4310 BFGS: 440 17:23:26 -1524.743065 9.4369 BFGS: 441 17:23:26 -1525.463555 9.4418 BFGS: 442 17:23:26 -1526.178260 9.4471 BFGS: 443 17:23:26 -1526.885057 9.4516 BFGS: 444 17:23:26 -1527.583388 9.4570 BFGS: 445 17:23:26 -1528.273172 9.4604 BFGS: 446 17:23:26 -1528.956324 9.4646 BFGS: 447 17:23:26 -1529.631333 9.4679 BFGS: 448 17:23:26 -1530.294314 9.4719 BFGS: 449 17:23:26 -1530.947241 9.4739 BFGS: 450 17:23:26 -1531.593779 9.4768 BFGS: 451 17:23:27 -1532.232006 9.4787 BFGS: 452 17:23:27 -1532.863379 9.4809 BFGS: 453 17:23:27 -1533.486906 9.4824 BFGS: 454 17:23:27 -1534.103301 9.4840 BFGS: 455 17:23:27 -1534.711973 9.4849 BFGS: 456 17:23:27 -1535.313388 9.4859 BFGS: 457 17:23:27 -1535.907167 9.4863 BFGS: 458 17:23:27 -1536.493789 9.4870 BFGS: 459 17:23:27 -1537.063806 9.4863 BFGS: 460 17:23:27 -1537.627484 9.4855 BFGS: 461 17:23:27 -1538.186996 9.4846 BFGS: 462 17:23:27 -1538.741172 9.4835 BFGS: 463 17:23:27 -1539.290868 9.4821 BFGS: 464 17:23:27 -1539.835193 9.4806 BFGS: 465 17:23:27 -1540.374778 9.4787 BFGS: 466 17:23:27 -1540.892387 9.4759 BFGS: 467 17:23:27 -1541.407861 9.4722 BFGS: 468 17:23:27 -1541.926706 9.4702 BFGS: 469 17:23:27 -1542.442050 9.4668 BFGS: 470 17:23:28 -1542.956011 9.4640 BFGS: 471 17:23:28 -1543.460634 9.4606 BFGS: 472 17:23:28 -1543.962485 9.4564 BFGS: 473 17:23:28 -1544.462478 9.4528 BFGS: 474 17:23:28 -1544.958089 9.4482 BFGS: 475 17:23:28 -1545.449990 9.4439 BFGS: 476 17:23:28 -1545.937383 9.4389 BFGS: 477 17:23:28 -1546.409245 9.4335 BFGS: 478 17:23:28 -1546.895055 9.4272 BFGS: 479 17:23:28 -1547.378449 9.4230 BFGS: 480 17:23:28 -1547.837035 9.4159 BFGS: 481 17:23:28 -1548.339572 9.4103 BFGS: 482 17:23:28 -1548.833606 9.4060 BFGS: 483 17:23:28 -1549.304063 9.3991 BFGS: 484 17:23:28 -1549.759834 9.3915 BFGS: 485 17:23:28 -1550.227712 9.3858 BFGS: 486 17:23:28 -1550.670920 9.3773 BFGS: 487 17:23:28 -1551.102258 9.3692 BFGS: 488 17:23:28 -1551.496132 9.3592 BFGS: 489 17:23:29 -1551.980577 9.3494 BFGS: 490 17:23:29 -1552.469772 9.3428 BFGS: 491 17:23:29 -1552.975160 9.3329 BFGS: 492 17:23:29 -1553.491656 9.3260 BFGS: 493 17:23:29 -1554.036004 9.3174 BFGS: 494 17:23:29 -1554.606527 9.3180 BFGS: 495 17:23:29 -1555.180857 9.3160 BFGS: 496 17:23:29 -1555.782701 9.3125 BFGS: 497 17:23:29 -1556.411758 9.3084 BFGS: 498 17:23:29 -1557.075058 9.3039 BFGS: 499 17:23:29 -1557.777089 9.3003 BFGS: 500 17:23:29 -1558.527270 9.2972 BFGS: 501 17:23:29 -1559.319536 9.2942 BFGS: 502 17:23:29 -1560.149848 9.2921 BFGS: 503 17:23:29 -1561.014234 9.2887 BFGS: 504 17:23:29 -1561.919762 9.2870 BFGS: 505 17:23:29 -1562.856532 9.2827 BFGS: 506 17:23:29 -1563.832845 9.2812 BFGS: 507 17:23:29 -1564.845784 9.2736 BFGS: 508 17:23:30 -1565.824696 9.2284 BFGS: 509 17:23:30 -1566.958487 9.2261 BFGS: 510 17:23:30 -1568.096039 9.2231 BFGS: 511 17:23:30 -1569.270756 9.2163 BFGS: 512 17:23:30 -1570.457034 9.2115 BFGS: 513 17:23:30 -1571.675778 9.2040 BFGS: 514 17:23:30 -1572.904464 9.1968 BFGS: 515 17:23:30 -1574.172157 9.1861 BFGS: 516 17:23:30 -1575.431701 9.1782 BFGS: 517 17:23:30 -1576.700107 9.1678 BFGS: 518 17:23:30 -1578.112613 9.1572 BFGS: 519 17:23:30 -1579.540316 9.1440 BFGS: 520 17:23:30 -1581.150116 9.0965 BFGS: 521 17:23:30 -1582.700706 9.0725 BFGS: 522 17:23:30 -1584.275012 9.0424 BFGS: 523 17:23:30 -1585.790492 9.0208 BFGS: 524 17:23:30 -1587.325730 8.9976 BFGS: 525 17:23:30 -1588.871570 8.9559 BFGS: 526 17:23:31 -1590.416923 8.9140 BFGS: 527 17:23:31 -1591.961773 8.8714 BFGS: 528 17:23:31 -1593.598760 8.8512 BFGS: 529 17:23:31 -1595.078258 8.7783 BFGS: 530 17:23:31 -1596.531905 8.6926 BFGS: 531 17:23:31 -1598.035522 8.6290 BFGS: 532 17:23:31 -1599.569304 8.5774 BFGS: 533 17:23:31 -1601.122867 8.5292 BFGS: 534 17:23:31 -1602.697826 8.4791 BFGS: 535 17:23:31 -1604.291925 8.4267 BFGS: 536 17:23:31 -1605.906605 8.3707 BFGS: 537 17:23:31 -1607.545863 8.3104 BFGS: 538 17:23:31 -1609.211338 8.2458 BFGS: 539 17:23:31 -1610.904667 8.2742 BFGS: 540 17:23:31 -1612.629112 8.3429 BFGS: 541 17:23:31 -1614.382690 8.4153 BFGS: 542 17:23:31 -1616.170035 8.4903 BFGS: 543 17:23:31 -1617.987169 8.5712 BFGS: 544 17:23:32 -1619.833282 8.6516 BFGS: 545 17:23:32 -1621.711859 8.7373 BFGS: 546 17:23:32 -1623.623323 8.8209 BFGS: 547 17:23:32 -1625.570612 8.9074 BFGS: 548 17:23:32 -1627.548668 8.9957 BFGS: 549 17:23:32 -1629.559772 9.0880 BFGS: 550 17:23:32 -1631.606304 9.1776 BFGS: 551 17:23:32 -1633.680027 9.2682 BFGS: 552 17:23:32 -1635.771330 9.3583 BFGS: 553 17:23:32 -1637.877547 9.4493 BFGS: 554 17:23:32 -1639.991939 9.5387 BFGS: 555 17:23:32 -1642.109385 9.6275 BFGS: 556 17:23:32 -1644.218558 9.7129 BFGS: 557 17:23:32 -1646.299786 9.8006 BFGS: 558 17:23:32 -1648.336636 9.8801 BFGS: 559 17:23:32 -1650.298764 9.9567 BFGS: 560 17:23:32 -1652.150012 10.0261 BFGS: 561 17:23:32 -1653.928620 10.0891 BFGS: 562 17:23:33 -1655.558189 10.1444 BFGS: 563 17:23:33 -1657.079145 10.1966 BFGS: 564 17:23:33 -1658.508473 10.2395 BFGS: 565 17:23:33 -1659.861215 10.2769 BFGS: 566 17:23:33 -1661.146603 10.3092 BFGS: 567 17:23:33 -1662.371744 10.3367 BFGS: 568 17:23:33 -1663.543034 10.3593 BFGS: 569 17:23:33 -1664.663932 10.3808 BFGS: 570 17:23:33 -1665.740607 10.3947 BFGS: 571 17:23:33 -1666.778184 10.4058 BFGS: 572 17:23:33 -1667.780761 10.4123 BFGS: 573 17:23:33 -1668.752042 10.4165 BFGS: 574 17:23:33 -1669.694621 10.4157 BFGS: 575 17:23:33 -1670.610285 10.4139 BFGS: 576 17:23:33 -1671.502446 10.4065 BFGS: 577 17:23:33 -1672.372139 10.3997 BFGS: 578 17:23:33 -1673.223759 10.3862 BFGS: 579 17:23:33 -1674.056280 10.3757 BFGS: 580 17:23:34 -1674.872116 10.3597 BFGS: 581 17:23:34 -1675.672327 10.3461 BFGS: 582 17:23:34 -1676.457950 10.3242 BFGS: 583 17:23:34 -1677.229807 10.3049 BFGS: 584 17:23:34 -1677.988684 10.2789 BFGS: 585 17:23:34 -1678.735902 10.2524 BFGS: 586 17:23:34 -1679.472438 10.2231 BFGS: 587 17:23:34 -1680.198746 10.1928 BFGS: 588 17:23:34 -1680.915557 10.1603 BFGS: 589 17:23:34 -1681.623322 10.1271 BFGS: 590 17:23:34 -1682.323254 10.0931 BFGS: 591 17:23:34 -1683.014984 10.0594 BFGS: 592 17:23:34 -1683.697946 10.0212 BFGS: 593 17:23:34 -1684.373768 9.9832 BFGS: 594 17:23:34 -1685.042089 9.9428 BFGS: 595 17:23:34 -1685.704593 9.9037 BFGS: 596 17:23:34 -1686.361031 9.8604 BFGS: 597 17:23:34 -1687.011042 9.8159 BFGS: 598 17:23:35 -1687.654818 9.7733 BFGS: 599 17:23:35 -1688.291559 9.7267 BFGS: 600 17:23:35 -1688.922612 9.6793 BFGS: 601 17:23:35 -1689.547914 9.6312 BFGS: 602 17:23:35 -1690.167975 9.5818 BFGS: 603 17:23:35 -1690.782476 9.5317 BFGS: 604 17:23:35 -1691.391484 9.4807 BFGS: 605 17:23:35 -1691.995106 9.4291 BFGS: 606 17:23:35 -1692.593419 9.3767 BFGS: 607 17:23:35 -1693.186558 9.3266 BFGS: 608 17:23:35 -1693.773668 9.2748 BFGS: 609 17:23:35 -1694.355868 9.2206 BFGS: 610 17:23:35 -1694.933214 9.1687 BFGS: 611 17:23:35 -1695.504773 9.1136 BFGS: 612 17:23:35 -1696.071607 9.0577 BFGS: 613 17:23:35 -1696.633770 9.0015 BFGS: 614 17:23:35 -1697.191415 8.9475 BFGS: 615 17:23:35 -1697.743799 8.8905 BFGS: 616 17:23:36 -1698.291778 8.8331 BFGS: 617 17:23:36 -1698.835308 8.7753 BFGS: 618 17:23:36 -1699.374398 8.7172 BFGS: 619 17:23:36 -1699.909080 8.6588 BFGS: 620 17:23:36 -1700.439386 8.6000 BFGS: 621 17:23:36 -1700.965352 8.5411 BFGS: 622 17:23:36 -1701.487016 8.4819 BFGS: 623 17:23:36 -1702.004440 8.4227 BFGS: 624 17:23:36 -1702.518419 8.3632 BFGS: 625 17:23:36 -1703.027936 8.3035 BFGS: 626 17:23:36 -1703.533261 8.2437 BFGS: 627 17:23:36 -1704.034423 8.1837 BFGS: 628 17:23:36 -1704.531499 8.1237 BFGS: 629 17:23:36 -1705.024696 8.0673 BFGS: 630 17:23:36 -1705.513168 8.0070 BFGS: 631 17:23:36 -1705.997891 7.9468 BFGS: 632 17:23:36 -1706.478865 7.8866 BFGS: 633 17:23:36 -1706.956095 7.8263 BFGS: 634 17:23:37 -1707.429281 7.7663 BFGS: 635 17:23:37 -1707.898860 7.7064 BFGS: 636 17:23:37 -1708.364881 7.6466 BFGS: 637 17:23:37 -1708.827379 7.5870 BFGS: 638 17:23:37 -1709.286447 7.5289 BFGS: 639 17:23:37 -1709.742140 7.4696 BFGS: 640 17:23:37 -1710.194531 7.4104 BFGS: 641 17:23:37 -1710.643569 7.3514 BFGS: 642 17:23:37 -1711.089337 7.2926 BFGS: 643 17:23:37 -1711.531873 7.2341 BFGS: 644 17:23:37 -1711.971254 7.1758 BFGS: 645 17:23:37 -1712.407522 7.1179 BFGS: 646 17:23:37 -1712.840899 7.0623 BFGS: 647 17:23:37 -1713.271343 7.0091 BFGS: 648 17:23:37 -1713.698801 6.9539 BFGS: 649 17:23:37 -1714.123853 6.8993 BFGS: 650 17:23:37 -1714.546311 6.8448 BFGS: 651 17:23:38 -1714.966450 6.7894 BFGS: 652 17:23:38 -1715.383680 6.7342 BFGS: 653 17:23:38 -1715.798278 6.6796 BFGS: 654 17:23:38 -1716.210311 6.6253 BFGS: 655 17:23:38 -1716.619994 6.5744 BFGS: 656 17:23:38 -1717.026800 6.5212 BFGS: 657 17:23:38 -1717.431627 6.4682 BFGS: 658 17:23:38 -1717.834075 6.4163 BFGS: 659 17:23:38 -1718.234475 6.3648 BFGS: 660 17:23:38 -1718.633058 6.3214 BFGS: 661 17:23:38 -1719.029065 6.2713 BFGS: 662 17:23:38 -1719.423344 6.2217 BFGS: 663 17:23:38 -1719.816106 6.1752 BFGS: 664 17:23:38 -1720.207398 6.1270 BFGS: 665 17:23:38 -1720.597162 6.0800 BFGS: 666 17:23:38 -1720.985639 6.0335 BFGS: 667 17:23:38 -1721.372912 5.9882 BFGS: 668 17:23:38 -1721.759247 5.9471 BFGS: 669 17:23:39 -1722.144107 5.9035 BFGS: 670 17:23:39 -1722.528445 5.8671 BFGS: 671 17:23:39 -1722.911575 5.8255 BFGS: 672 17:23:39 -1723.294577 5.7846 BFGS: 673 17:23:39 -1723.677106 5.7451 BFGS: 674 17:23:39 -1724.059516 5.7096 BFGS: 675 17:23:39 -1724.441503 5.6750 BFGS: 676 17:23:39 -1724.823490 5.6442 BFGS: 677 17:23:39 -1725.205818 5.6108 BFGS: 678 17:23:39 -1725.588875 5.5761 BFGS: 679 17:23:39 -1725.972689 5.5462 BFGS: 680 17:23:39 -1726.357066 5.5141 BFGS: 681 17:23:39 -1726.742210 5.4835 BFGS: 682 17:23:39 -1727.128379 5.4535 BFGS: 683 17:23:39 -1727.515475 5.4247 BFGS: 684 17:23:39 -1727.905039 5.3990 BFGS: 685 17:23:39 -1728.298579 5.3733 BFGS: 686 17:23:40 -1728.697636 5.3493 BFGS: 687 17:23:40 -1729.103759 5.3282 BFGS: 688 17:23:40 -1729.518851 5.3108 BFGS: 689 17:23:40 -1729.945449 5.2957 BFGS: 690 17:23:40 -1730.384926 5.2840 BFGS: 691 17:23:40 -1730.839558 5.2770 BFGS: 692 17:23:40 -1731.312411 5.2778 BFGS: 693 17:23:40 -1731.807709 5.2816 BFGS: 694 17:23:40 -1732.328005 5.2965 BFGS: 695 17:23:40 -1732.877388 5.3167 BFGS: 696 17:23:40 -1733.460881 5.3417 BFGS: 697 17:23:40 -1734.083707 5.3777 BFGS: 698 17:23:40 -1734.752754 5.4242 BFGS: 699 17:23:40 -1735.476319 5.4875 BFGS: 700 17:23:40 -1736.262339 5.5604 BFGS: 701 17:23:40 -1737.118744 5.6517 BFGS: 702 17:23:40 -1738.056478 5.7559 BFGS: 703 17:23:41 -1739.085027 5.8835 BFGS: 704 17:23:41 -1740.214490 6.0260 BFGS: 705 17:23:41 -1741.454716 6.1881 BFGS: 706 17:23:41 -1742.812143 6.3644 BFGS: 707 17:23:41 -1744.261933 6.5694 BFGS: 708 17:23:41 -1745.715330 6.7779 BFGS: 709 17:23:41 -1747.152197 6.9930 BFGS: 710 17:23:41 -1748.447478 7.2023 BFGS: 711 17:23:41 -1749.462711 8.1901 BFGS: 712 17:23:41 -1750.230170 9.2540 BFGS: 713 17:23:41 -1750.877757 9.7160 BFGS: 714 17:23:41 -1751.476542 10.0929 BFGS: 715 17:23:41 -1752.054375 10.2794 BFGS: 716 17:23:41 -1752.618283 10.4575 BFGS: 717 17:23:41 -1753.171669 10.5788 BFGS: 718 17:23:41 -1753.714808 10.6950 BFGS: 719 17:23:41 -1754.249215 10.7898 BFGS: 720 17:23:42 -1754.774508 10.8820 BFGS: 721 17:23:42 -1755.291034 10.9657 BFGS: 722 17:23:42 -1755.797466 11.0510 BFGS: 723 17:23:42 -1756.294096 11.1296 BFGS: 724 17:23:42 -1756.781846 11.2061 BFGS: 725 17:23:42 -1757.257097 11.2881 BFGS: 726 17:23:42 -1757.721897 11.3603 BFGS: 727 17:23:42 -1758.181290 11.4235 BFGS: 728 17:23:42 -1758.636518 11.4827 BFGS: 729 17:23:42 -1759.085868 11.5426 BFGS: 730 17:23:42 -1759.527970 11.6051 BFGS: 731 17:23:42 -1759.964183 11.6614 BFGS: 732 17:23:42 -1760.396449 11.7145 BFGS: 733 17:23:42 -1760.824357 11.7676 BFGS: 734 17:23:42 -1761.247641 11.8194 BFGS: 735 17:23:42 -1761.664253 11.8715 BFGS: 736 17:23:42 -1762.074989 11.9214 BFGS: 737 17:23:43 -1762.475137 11.9756 BFGS: 738 17:23:43 -1762.867731 12.0214 BFGS: 739 17:23:43 -1763.253964 12.0658 BFGS: 740 17:23:43 -1763.635827 12.1044 BFGS: 741 17:23:43 -1764.017207 12.1404 BFGS: 742 17:23:43 -1764.396411 12.1774 BFGS: 743 17:23:43 -1764.769484 12.2179 BFGS: 744 17:23:43 -1765.138873 12.2510 BFGS: 745 17:23:43 -1765.507844 12.2832 BFGS: 746 17:23:43 -1765.874631 12.3162 BFGS: 747 17:23:43 -1766.238924 12.3486 BFGS: 748 17:23:43 -1766.600144 12.3803 BFGS: 749 17:23:43 -1766.953442 12.4166 BFGS: 750 17:23:43 -1767.307449 12.4365 BFGS: 751 17:23:43 -1767.663806 12.4646 BFGS: 752 17:23:43 -1768.014981 12.4938 BFGS: 753 17:23:43 -1768.363327 12.5201 BFGS: 754 17:23:44 -1768.695704 12.5548 BFGS: 755 17:23:44 -1769.318458 12.3499 BFGS: 756 17:23:44 -1769.707218 12.3504 BFGS: 757 17:23:44 -1770.107619 12.3622 BFGS: 758 17:23:44 -1770.514165 12.3810 BFGS: 759 17:23:44 -1770.924277 12.4036 BFGS: 760 17:23:44 -1771.344306 12.4271 BFGS: 761 17:23:44 -1771.748549 12.4689 BFGS: 762 17:23:44 -1772.152867 12.5102 BFGS: 763 17:23:44 -1772.555750 12.5517 BFGS: 764 17:23:44 -1772.957591 12.5929 BFGS: 765 17:23:44 -1773.358123 12.6339 BFGS: 766 17:23:44 -1773.757387 12.6745 BFGS: 767 17:23:44 -1774.155298 12.7148 BFGS: 768 17:23:44 -1774.551873 12.7546 BFGS: 769 17:23:44 -1774.948125 12.7943 BFGS: 770 17:23:44 -1775.347366 12.8321 BFGS: 771 17:23:45 -1775.740920 12.8719 BFGS: 772 17:23:45 -1776.134310 12.9099 BFGS: 773 17:23:45 -1776.525864 12.9479 BFGS: 774 17:23:45 -1776.916308 12.9851 BFGS: 775 17:23:45 -1777.305344 13.0219 BFGS: 776 17:23:45 -1777.693117 13.0581 BFGS: 777 17:23:45 -1778.079589 13.0939 BFGS: 778 17:23:45 -1778.463548 13.1326 BFGS: 779 17:23:45 -1778.841720 13.1684 BFGS: 780 17:23:45 -1779.224272 13.1998 BFGS: 781 17:23:45 -1779.603892 13.2342 BFGS: 782 17:23:45 -1779.979405 13.2681 BFGS: 783 17:23:45 -1780.355041 13.2992 BFGS: 784 17:23:45 -1780.730767 13.3294 BFGS: 785 17:23:45 -1781.100693 13.3606 BFGS: 786 17:23:45 -1781.474155 13.3886 BFGS: 787 17:23:46 -1781.844989 13.4177 BFGS: 788 17:23:46 -1782.215575 13.4456 BFGS: 789 17:23:46 -1782.574990 13.4786 BFGS: 790 17:23:46 -1782.941896 13.5024 BFGS: 791 17:23:46 -1783.306276 13.5287 BFGS: 792 17:23:46 -1783.670710 13.5533 BFGS: 793 17:23:46 -1784.033750 13.5781 BFGS: 794 17:23:46 -1784.391442 13.6022 BFGS: 795 17:23:46 -1784.751960 13.6255 BFGS: 796 17:23:46 -1785.110847 13.6480 BFGS: 797 17:23:46 -1785.469142 13.6698 BFGS: 798 17:23:46 -1785.826196 13.6910 BFGS: 799 17:23:46 -1786.182337 13.7115 BFGS: 800 17:23:46 -1786.533388 13.7333 BFGS: 801 17:23:46 -1786.886986 13.7506 BFGS: 802 17:23:46 -1787.239089 13.7686 BFGS: 803 17:23:46 -1787.590863 13.7854 BFGS: 804 17:23:47 -1787.933120 13.8049 BFGS: 805 17:23:47 -1788.281286 13.8182 BFGS: 806 17:23:47 -1788.627885 13.8551 BFGS: 807 17:23:47 -1788.974960 13.8922 BFGS: 808 17:23:47 -1789.314824 13.9306 BFGS: 809 17:23:47 -1789.657803 13.9658 BFGS: 810 17:23:47 -1789.994163 14.0038 BFGS: 811 17:23:47 -1790.332338 14.0349 BFGS: 812 17:23:47 -1790.667276 14.0695 BFGS: 813 17:23:47 -1791.006813 14.1006 BFGS: 814 17:23:47 -1791.345155 14.1327 BFGS: 815 17:23:47 -1791.683920 14.1628 BFGS: 816 17:23:47 -1792.014336 14.1945 BFGS: 817 17:23:47 -1792.349121 14.2240 BFGS: 818 17:23:47 -1792.683346 14.2499 BFGS: 819 17:23:47 -1793.018254 14.2777 BFGS: 820 17:23:48 -1793.347803 14.3040 BFGS: 821 17:23:48 -1793.676375 14.3310 BFGS: 822 17:23:48 -1794.004523 14.3559 BFGS: 823 17:23:48 -1794.326249 14.3833 BFGS: 824 17:23:48 -1794.657551 14.4045 BFGS: 825 17:23:48 -1794.986270 14.4266 BFGS: 826 17:23:48 -1795.316136 14.4477 BFGS: 827 17:23:48 -1795.644916 14.4673 BFGS: 828 17:23:48 -1795.971542 14.4887 BFGS: 829 17:23:48 -1796.299463 14.5059 BFGS: 830 17:23:48 -1796.626933 14.5254 BFGS: 831 17:23:48 -1796.947954 14.5420 BFGS: 832 17:23:48 -1797.267352 14.5603 BFGS: 833 17:23:48 -1797.589606 14.5744 BFGS: 834 17:23:48 -1797.914300 14.5913 BFGS: 835 17:23:48 -1798.237679 14.6053 BFGS: 836 17:23:48 -1798.561439 14.6199 BFGS: 837 17:23:49 -1798.879315 14.6338 BFGS: 838 17:23:49 -1799.196117 14.6480 BFGS: 839 17:23:49 -1799.511950 14.6596 BFGS: 840 17:23:49 -1799.832266 14.6707 BFGS: 841 17:23:49 -1800.150332 14.6805 BFGS: 842 17:23:49 -1800.469329 14.6907 BFGS: 843 17:23:49 -1800.781815 14.7004 BFGS: 844 17:23:49 -1801.095044 14.7100 BFGS: 845 17:23:49 -1801.410526 14.7169 BFGS: 846 17:23:49 -1801.721535 14.7248 BFGS: 847 17:23:49 -1802.036852 14.7313 BFGS: 848 17:23:49 -1802.348777 14.7392 BFGS: 849 17:23:49 -1802.654366 14.7438 BFGS: 850 17:23:49 -1802.966230 14.7490 BFGS: 851 17:23:49 -1803.274206 14.7534 BFGS: 852 17:23:49 -1803.584316 14.7581 BFGS: 853 17:23:50 -1803.889341 14.7607 BFGS: 854 17:23:50 -1804.188955 14.7633 BFGS: 855 17:23:50 -1804.490065 14.7669 BFGS: 856 17:23:50 -1804.793123 14.7681 BFGS: 857 17:23:50 -1805.094893 14.7708 BFGS: 858 17:23:50 -1805.396040 14.7712 BFGS: 859 17:23:50 -1805.695471 14.7734 BFGS: 860 17:23:50 -1805.994333 14.7730 BFGS: 861 17:23:50 -1806.288115 14.7762 BFGS: 862 17:23:50 -1806.586039 14.7746 BFGS: 863 17:23:50 -1806.876034 14.7748 BFGS: 864 17:23:50 -1807.164156 14.7747 BFGS: 865 17:23:50 -1807.454101 14.7763 BFGS: 866 17:23:50 -1807.744111 14.7737 BFGS: 867 17:23:50 -1808.031806 14.7762 BFGS: 868 17:23:50 -1808.319691 14.7723 BFGS: 869 17:23:51 -1808.604266 14.7760 BFGS: 870 17:23:51 -1808.882051 14.7723 BFGS: 871 17:23:51 -1809.167424 14.7768 BFGS: 872 17:23:51 -1809.444879 14.7725 BFGS: 873 17:23:51 -1809.728152 14.7775 BFGS: 874 17:23:51 -1810.003432 14.7732 BFGS: 875 17:23:51 -1810.282189 14.7787 BFGS: 876 17:23:51 -1810.556242 14.7758 BFGS: 877 17:23:51 -1810.832657 14.7815 BFGS: 878 17:23:51 -1811.106299 14.7805 BFGS: 879 17:23:51 -1811.379180 14.7867 BFGS: 880 17:23:51 -1811.650821 14.7880 BFGS: 881 17:23:51 -1811.922729 14.7957 BFGS: 882 17:23:51 -1812.195510 14.7990 BFGS: 883 17:23:51 -1812.460860 14.8094 BFGS: 884 17:23:51 -1812.738817 14.8146 BFGS: 885 17:23:51 -1812.998058 14.8274 BFGS: 886 17:23:52 -1813.290044 14.8344 BFGS: 887 17:23:52 -1813.536907 14.8489 BFGS: 888 17:23:52 -1813.843772 14.8602 BFGS: 889 17:23:52 -1814.089096 14.8756 BFGS: 890 17:23:52 -1814.385992 14.8931 BFGS: 891 17:23:52 -1814.646450 14.9100 BFGS: 892 17:23:52 -1814.930755 14.9320 BFGS: 893 17:23:52 -1815.202117 14.9513 BFGS: 894 17:23:52 -1815.485316 14.9767 BFGS: 895 17:23:52 -1815.770450 15.0019 BFGS: 896 17:23:52 -1816.062258 15.0301 BFGS: 897 17:23:52 -1816.355757 15.0587 BFGS: 898 17:23:52 -1816.657128 15.0901 BFGS: 899 17:23:52 -1816.959210 15.1209 BFGS: 900 17:23:52 -1817.271838 15.1545 BFGS: 901 17:23:52 -1817.587873 15.1882 BFGS: 902 17:23:53 -1817.913399 15.2237 BFGS: 903 17:23:53 -1818.233789 15.2564 BFGS: 904 17:23:53 -1818.574365 15.2939 BFGS: 905 17:23:53 -1818.913487 15.3263 BFGS: 906 17:23:53 -1819.269401 15.3626 BFGS: 907 17:23:53 -1819.621975 15.3917 BFGS: 908 17:23:53 -1819.996056 15.4224 BFGS: 909 17:23:53 -1820.359387 15.4465 BFGS: 910 17:23:53 -1820.753318 15.4745 BFGS: 911 17:23:53 -1821.122727 15.4872 BFGS: 912 17:23:53 -1821.537958 15.5088 BFGS: 913 17:23:53 -1821.911339 15.5065 BFGS: 914 17:23:53 -1822.353524 15.5191 BFGS: 915 17:23:53 -1822.726047 15.4968 BFGS: 916 17:23:53 -1823.201322 15.4984 BFGS: 917 17:23:53 -1823.565919 15.4482 BFGS: 918 17:23:54 -1824.081521 15.4380 BFGS: 919 17:23:54 -1824.433443 15.3490 BFGS: 920 17:23:54 -1824.979528 15.3118 BFGS: 921 17:23:54 -1825.336915 15.1616 BFGS: 922 17:23:54 -1825.915889 15.0593 BFGS: 923 17:23:54 -1826.337582 14.7476 BFGS: 924 17:23:54 -1826.964527 14.4772 BFGS: 925 17:23:54 -1827.460132 14.1346 BFGS: 926 17:23:54 -1827.790408 14.0832 BFGS: 927 17:23:54 -1828.059559 14.0930 BFGS: 928 17:23:54 -1828.343993 14.1202 BFGS: 929 17:23:54 -1828.596788 14.1617 BFGS: 930 17:23:54 -1828.865674 14.2115 BFGS: 931 17:23:54 -1829.110087 14.2688 BFGS: 932 17:23:54 -1829.364056 14.3274 BFGS: 933 17:23:54 -1829.602086 14.3890 BFGS: 934 17:23:55 -1829.843458 14.4517 BFGS: 935 17:23:55 -1830.074758 14.5149 BFGS: 936 17:23:55 -1830.305691 14.5784 BFGS: 937 17:23:55 -1830.529622 14.6405 BFGS: 938 17:23:55 -1830.753059 14.7031 BFGS: 939 17:23:55 -1830.971451 14.7647 BFGS: 940 17:23:55 -1831.187149 14.8246 BFGS: 941 17:23:55 -1831.400264 14.8842 BFGS: 942 17:23:55 -1831.609767 14.9409 BFGS: 943 17:23:55 -1831.819111 14.9970 BFGS: 944 17:23:55 -1832.025573 15.0508 BFGS: 945 17:23:55 -1832.230782 15.1026 BFGS: 946 17:23:55 -1832.432407 15.1505 BFGS: 947 17:23:55 -1832.635646 15.1986 BFGS: 948 17:23:55 -1832.836683 15.2434 BFGS: 949 17:23:55 -1833.037678 15.2853 BFGS: 950 17:23:56 -1833.238331 15.3252 BFGS: 951 17:23:56 -1833.439013 15.3610 BFGS: 952 17:23:56 -1833.639936 15.3941 BFGS: 953 17:23:56 -1833.841498 15.4230 BFGS: 954 17:23:56 -1834.044203 15.4483 BFGS: 955 17:23:56 -1834.246658 15.4690 BFGS: 956 17:23:56 -1834.452061 15.4826 BFGS: 957 17:23:56 -1834.659466 15.4960 BFGS: 958 17:23:56 -1834.870710 15.4998 BFGS: 959 17:23:56 -1835.083809 15.5009 BFGS: 960 17:23:56 -1835.301107 15.4875 BFGS: 961 17:23:56 -1835.526427 15.4728 BFGS: 962 17:23:56 -1835.758453 15.4419 BFGS: 963 17:23:56 -1836.001571 15.4045 BFGS: 964 17:23:56 -1836.258647 15.3482 BFGS: 965 17:23:56 -1836.533171 15.2666 BFGS: 966 17:23:56 -1836.840128 15.1527 BFGS: 967 17:23:57 -1837.200047 14.9741 BFGS: 968 17:23:57 -1837.673757 14.6024 BFGS: 969 17:23:57 -1837.990863 14.2190 BFGS: 970 17:23:57 -1838.173342 14.0339 BFGS: 971 17:23:57 -1838.315216 13.9180 BFGS: 972 17:23:57 -1838.444352 13.8486 BFGS: 973 17:23:57 -1838.561700 13.7895 BFGS: 974 17:23:57 -1838.671858 13.7564 BFGS: 975 17:23:57 -1838.772302 13.7206 BFGS: 976 17:23:57 -1838.866615 13.7055 BFGS: 977 17:23:57 -1838.951489 13.6786 BFGS: 978 17:23:57 -1839.030117 13.6717 BFGS: 979 17:23:57 -1839.100326 13.6476 BFGS: 980 17:23:57 -1839.163888 13.6477 BFGS: 981 17:23:57 -1839.219926 13.6207 BFGS: 982 17:23:57 -1839.270809 13.6186 BFGS: 983 17:23:58 -1839.315774 13.5857 BFGS: 984 17:23:58 -1839.357307 13.5823 BFGS: 985 17:23:58 -1839.397498 13.5354 BFGS: 986 17:23:58 -1839.441093 13.5180 BFGS: 987 17:23:58 -1839.492126 13.4614 BFGS: 988 17:23:58 -1839.556504 13.4284 BFGS: 989 17:23:58 -1839.633322 13.3762 BFGS: 990 17:23:58 -1839.692404 13.3378 BFGS: 991 17:23:58 -1839.757904 13.3078 BFGS: 992 17:23:58 -1839.846156 13.2555 BFGS: 993 17:23:58 -1839.982581 13.2037 BFGS: 994 17:23:58 -1840.206154 13.1499 BFGS: 995 17:23:58 -1840.559052 13.1078 BFGS: 996 17:23:58 -1841.093409 13.0619 BFGS: 997 17:23:58 -1841.765585 13.0261 BFGS: 998 17:23:58 -1842.576622 12.9806 BFGS: 999 17:23:59 -1843.530086 12.9279 BFGS: 1000 17:23:59 -1844.622384 12.8668 BFGS: 1001 17:23:59 -1845.859339 12.7867 BFGS: 1002 17:23:59 -1847.236981 12.6921 BFGS: 1003 17:23:59 -1848.762339 12.5768 BFGS: 1004 17:23:59 -1850.436582 12.4488 BFGS: 1005 17:23:59 -1852.273347 12.2938 BFGS: 1006 17:23:59 -1854.276542 12.1312 BFGS: 1007 17:23:59 -1856.468918 11.9319 BFGS: 1008 17:23:59 -1858.852676 11.7371 BFGS: 1009 17:23:59 -1861.465973 11.4893 BFGS: 1010 17:23:59 -1864.296023 11.2771 BFGS: 1011 17:23:59 -1867.422949 10.9607 BFGS: 1012 17:23:59 -1870.760290 10.8059 BFGS: 1013 17:23:59 -1873.891376 10.7853 BFGS: 1014 17:23:59 -1878.024350 10.4288 BFGS: 1015 17:24:00 -1882.297482 10.1115 BFGS: 1016 17:24:00 -1886.936528 9.8019 BFGS: 1017 17:24:00 -1891.784376 9.5025 BFGS: 1018 17:24:00 -1896.831189 9.2245 BFGS: 1019 17:24:00 -1901.623360 8.9947 BFGS: 1020 17:24:00 -1906.211939 8.8114 BFGS: 1021 17:24:00 -1910.302418 8.6756 BFGS: 1022 17:24:00 -1914.404868 8.5549 BFGS: 1023 17:24:00 -1917.939904 8.4600 BFGS: 1024 17:24:00 -1921.560625 8.3651 BFGS: 1025 17:24:00 -1924.251729 8.2970 BFGS: 1026 17:24:00 -1926.636095 8.3128 BFGS: 1027 17:24:00 -1928.502660 8.4144 BFGS: 1028 17:24:00 -1930.244068 8.5671 BFGS: 1029 17:24:00 -1931.938328 8.7177 BFGS: 1030 17:24:00 -1933.522154 8.8854 BFGS: 1031 17:24:01 -1935.166446 9.0525 BFGS: 1032 17:24:01 -1936.874796 9.2190 BFGS: 1033 17:24:01 -1938.661470 9.3748 BFGS: 1034 17:24:01 -1940.462920 9.5186 BFGS: 1035 17:24:01 -1942.146894 9.6332 BFGS: 1036 17:24:01 -1943.841549 9.7400 BFGS: 1037 17:24:01 -1945.434675 9.8229 BFGS: 1038 17:24:01 -1947.042223 9.9039 BFGS: 1039 17:24:01 -1948.548319 9.9630 BFGS: 1040 17:24:01 -1950.084488 10.1350 BFGS: 1041 17:24:01 -1951.510061 10.2990 BFGS: 1042 17:24:01 -1952.976727 10.5183 BFGS: 1043 17:24:01 -1954.340044 10.6507 BFGS: 1044 17:24:01 -1955.733055 10.8105 BFGS: 1045 17:24:01 -1957.057930 10.9364 BFGS: 1046 17:24:01 -1958.390082 11.0297 BFGS: 1047 17:24:02 -1959.694895 11.1644 BFGS: 1048 17:24:02 -1960.984752 11.1979 BFGS: 1049 17:24:02 -1962.279814 11.3364 BFGS: 1050 17:24:02 -1963.536864 11.3321 BFGS: 1051 17:24:02 -1964.824992 11.4510 BFGS: 1052 17:24:02 -1966.080239 11.4371 BFGS: 1053 17:24:02 -1967.362911 11.5220 BFGS: 1054 17:24:02 -1968.626500 11.5066 BFGS: 1055 17:24:02 -1969.917525 11.5581 BFGS: 1056 17:24:02 -1971.200153 11.5392 BFGS: 1057 17:24:02 -1972.507626 11.5644 BFGS: 1058 17:24:02 -1973.815611 11.5384 BFGS: 1059 17:24:02 -1975.146161 11.5426 BFGS: 1060 17:24:02 -1976.482586 11.5048 BFGS: 1061 17:24:02 -1977.849062 11.5481 BFGS: 1062 17:24:03 -1979.223755 11.6101 BFGS: 1063 17:24:03 -1980.625776 11.6671 BFGS: 1064 17:24:03 -1982.045665 11.7087 BFGS: 1065 17:24:03 -1983.483386 11.7385 BFGS: 1066 17:24:03 -1984.949166 11.7539 BFGS: 1067 17:24:03 -1986.442462 11.7494 BFGS: 1068 17:24:03 -1987.952244 11.7257 BFGS: 1069 17:24:03 -1989.499860 11.6784 BFGS: 1070 17:24:03 -1991.064460 11.6037 BFGS: 1071 17:24:03 -1992.668200 11.4983 BFGS: 1072 17:24:03 -1994.285036 11.3555 BFGS: 1073 17:24:03 -1995.952099 11.1703 BFGS: 1074 17:24:03 -1997.622445 10.9372 BFGS: 1075 17:24:03 -1999.347094 10.6532 BFGS: 1076 17:24:03 -2001.089380 10.3020 BFGS: 1077 17:24:03 -2002.919585 9.8641 BFGS: 1078 17:24:04 -2004.758695 9.3463 BFGS: 1079 17:24:04 -2006.742911 8.8985 BFGS: 1080 17:24:04 -2008.759806 9.0832 BFGS: 1081 17:24:04 -2010.635177 9.1780 BFGS: 1082 17:24:04 -2012.173042 9.2172 BFGS: 1083 17:24:04 -2013.563114 9.1332 BFGS: 1084 17:24:04 -2014.788845 8.9792 BFGS: 1085 17:24:04 -2015.972180 8.6928 BFGS: 1086 17:24:04 -2017.071675 8.3469 BFGS: 1087 17:24:04 -2018.176892 7.8556 BFGS: 1088 17:24:04 -2019.203741 7.3115 BFGS: 1089 17:24:04 -2019.969865 6.8015 BFGS: 1090 17:24:04 -2020.630697 6.3177 BFGS: 1091 17:24:04 -2021.188172 5.8673 BFGS: 1092 17:24:04 -2021.687557 5.4219 BFGS: 1093 17:24:04 -2022.135585 4.9968 BFGS: 1094 17:24:05 -2022.546867 4.5869 BFGS: 1095 17:24:05 -2022.921351 4.1896 BFGS: 1096 17:24:05 -2023.269447 3.8065 BFGS: 1097 17:24:05 -2023.592013 3.6556 BFGS: 1098 17:24:05 -2023.893464 3.5442 BFGS: 1099 17:24:05 -2024.174854 3.4322 BFGS: 1100 17:24:05 -2024.438428 3.3220 BFGS: 1101 17:24:05 -2024.690259 3.2091 BFGS: 1102 17:24:05 -2024.927957 3.0971 BFGS: 1103 17:24:05 -2025.156143 2.9869 BFGS: 1104 17:24:05 -2025.375418 2.8790 BFGS: 1105 17:24:05 -2025.587524 2.8537 BFGS: 1106 17:24:05 -2025.794967 2.9128 BFGS: 1107 17:24:05 -2025.998440 2.9733 BFGS: 1108 17:24:05 -2026.199850 3.0358 BFGS: 1109 17:24:06 -2026.400312 3.0991 BFGS: 1110 17:24:06 -2026.600646 3.1633 BFGS: 1111 17:24:06 -2026.802242 3.2269 BFGS: 1112 17:24:06 -2027.005747 3.2901 BFGS: 1113 17:24:06 -2027.211769 3.3531 BFGS: 1114 17:24:06 -2027.420788 3.4138 BFGS: 1115 17:24:06 -2027.633252 3.4715 BFGS: 1116 17:24:06 -2027.849451 3.5277 BFGS: 1117 17:24:06 -2028.069013 3.5800 BFGS: 1118 17:24:06 -2028.291504 3.6322 BFGS: 1119 17:24:06 -2028.517796 3.6773 BFGS: 1120 17:24:06 -2028.747749 3.7195 BFGS: 1121 17:24:06 -2028.980470 3.7568 BFGS: 1122 17:24:06 -2029.216469 3.7906 BFGS: 1123 17:24:06 -2029.454056 3.8199 BFGS: 1124 17:24:06 -2029.692365 3.8450 BFGS: 1125 17:24:07 -2029.931561 3.8661 BFGS: 1126 17:24:07 -2030.171364 3.8816 BFGS: 1127 17:24:07 -2030.413684 3.8932 BFGS: 1128 17:24:07 -2030.657202 3.9013 BFGS: 1129 17:24:07 -2030.900424 3.9088 BFGS: 1130 17:24:07 -2031.143790 3.9153 BFGS: 1131 17:24:07 -2031.386101 3.9177 BFGS: 1132 17:24:07 -2031.627666 3.9181 BFGS: 1133 17:24:07 -2031.866774 3.9151 BFGS: 1134 17:24:07 -2032.103368 3.9092 BFGS: 1135 17:24:07 -2032.336343 3.9006 BFGS: 1136 17:24:07 -2032.564906 3.8881 BFGS: 1137 17:24:07 -2032.788358 3.8916 BFGS: 1138 17:24:07 -2033.005682 3.9499 BFGS: 1139 17:24:07 -2033.217143 4.0058 BFGS: 1140 17:24:07 -2033.421017 4.0602 BFGS: 1141 17:24:08 -2033.618547 4.1041 BFGS: 1142 17:24:08 -2033.810061 4.1403 BFGS: 1143 17:24:08 -2033.998409 4.1650 BFGS: 1144 17:24:08 -2034.184999 4.1754 BFGS: 1145 17:24:08 -2034.372469 4.1724 BFGS: 1146 17:24:08 -2034.562115 4.1567 BFGS: 1147 17:24:08 -2034.755305 4.2082 BFGS: 1148 17:24:08 -2034.954892 4.4246 BFGS: 1149 17:24:08 -2035.161655 4.6295 BFGS: 1150 17:24:08 -2035.374739 4.8245 BFGS: 1151 17:24:08 -2035.592293 5.0081 BFGS: 1152 17:24:08 -2035.818906 5.1844 BFGS: 1153 17:24:08 -2036.053817 5.3459 BFGS: 1154 17:24:08 -2036.297841 5.4983 BFGS: 1155 17:24:08 -2036.549769 5.6375 BFGS: 1156 17:24:09 -2036.810850 5.7657 BFGS: 1157 17:24:09 -2037.082781 5.8764 BFGS: 1158 17:24:09 -2037.366041 5.9719 BFGS: 1159 17:24:09 -2037.660340 6.0490 BFGS: 1160 17:24:09 -2037.969510 6.1004 BFGS: 1161 17:24:09 -2038.294507 6.1253 BFGS: 1162 17:24:09 -2038.636475 6.1156 BFGS: 1163 17:24:09 -2038.996348 6.0670 BFGS: 1164 17:24:09 -2039.377139 5.9692 BFGS: 1165 17:24:09 -2039.779431 5.8105 BFGS: 1166 17:24:09 -2040.203110 5.5808 BFGS: 1167 17:24:09 -2040.648484 5.2554 BFGS: 1168 17:24:09 -2041.111912 4.8170 BFGS: 1169 17:24:09 -2041.591593 4.2117 BFGS: 1170 17:24:09 -2042.085146 3.3570 BFGS: 1171 17:24:10 -2042.512324 3.3564 BFGS: 1172 17:24:10 -2042.737733 3.3204 BFGS: 1173 17:24:10 -2043.260843 3.1985 BFGS: 1174 17:24:10 -2043.697367 3.0974 BFGS: 1175 17:24:10 -2044.130356 3.0120 BFGS: 1176 17:24:10 -2044.494198 2.9552 BFGS: 1177 17:24:10 -2044.847588 2.9308 BFGS: 1178 17:24:10 -2045.143060 3.0136 BFGS: 1179 17:24:10 -2045.449221 2.9902 BFGS: 1180 17:24:10 -2045.735468 2.9068 BFGS: 1181 17:24:10 -2046.040924 2.7362 BFGS: 1182 17:24:10 -2046.334256 2.6085 BFGS: 1183 17:24:10 -2046.648682 2.5251 BFGS: 1184 17:24:10 -2046.951553 2.4411 BFGS: 1185 17:24:10 -2047.283790 2.3278 BFGS: 1186 17:24:11 -2047.605170 2.4458 BFGS: 1187 17:24:11 -2047.972103 3.1416 BFGS: 1188 17:24:11 -2048.288463 3.7340 BFGS: 1189 17:24:11 -2048.596706 3.7389 BFGS: 1190 17:24:11 -2048.967780 3.3513 BFGS: 1191 17:24:11 -2049.192857 2.9658 BFGS: 1192 17:24:11 -2049.464076 2.3642 BFGS: 1193 17:24:11 -2049.649832 2.2876 BFGS: 1194 17:24:11 -2049.835469 2.1221 BFGS: 1195 17:24:11 -2049.952543 2.0672 BFGS: 1196 17:24:11 -2050.165890 1.9399 BFGS: 1197 17:24:11 -2050.320594 1.8152 BFGS: 1198 17:24:11 -2050.482509 1.8016 BFGS: 1199 17:24:11 -2050.717330 1.8783 BFGS: 1200 17:24:11 -2050.933802 1.9466 BFGS: 1201 17:24:11 -2051.101705 1.8324 BFGS: 1202 17:24:12 -2051.199089 1.9225 BFGS: 1203 17:24:12 -2051.269666 1.9640 BFGS: 1204 17:24:12 -2051.314631 1.9798 BFGS: 1205 17:24:12 -2051.355276 1.9912 BFGS: 1206 17:24:12 -2051.385388 1.9950 BFGS: 1207 17:24:12 -2051.405778 2.0029 BFGS: 1208 17:24:12 -2051.421756 2.0061 BFGS: 1209 17:24:12 -2051.438000 2.0610 BFGS: 1210 17:24:12 -2051.454947 2.1884 BFGS: 1211 17:24:12 -2051.469335 2.2456 BFGS: 1212 17:24:12 -2051.478433 2.2651 BFGS: 1213 17:24:12 -2051.484308 2.2361 BFGS: 1214 17:24:12 -2051.487982 2.2740 BFGS: 1215 17:24:12 -2051.490661 2.3032 BFGS: 1216 17:24:12 -2051.492808 2.3181 BFGS: 1217 17:24:13 -2051.495031 2.3541 BFGS: 1218 17:24:13 -2051.497493 2.4256 BFGS: 1219 17:24:13 -2051.499990 2.4723 BFGS: 1220 17:24:13 -2051.502037 2.4705 BFGS: 1221 17:24:13 -2051.503624 2.4210 BFGS: 1222 17:24:13 -2051.505044 2.3508 BFGS: 1223 17:24:13 -2051.506745 2.2692 BFGS: 1224 17:24:13 -2051.509507 2.2314 BFGS: 1225 17:24:13 -2051.515014 2.2064 BFGS: 1226 17:24:13 -2051.527083 2.1569 BFGS: 1227 17:24:13 -2051.554112 2.0561 BFGS: 1228 17:24:13 -2051.612299 1.8712 BFGS: 1229 17:24:13 -2051.725751 1.9283 BFGS: 1230 17:24:13 -2051.859817 2.0020 BFGS: 1231 17:24:13 -2052.015360 2.0557 BFGS: 1232 17:24:14 -2052.195276 2.0817 BFGS: 1233 17:24:14 -2052.397902 2.0601 BFGS: 1234 17:24:14 -2052.627990 1.8664 BFGS: 1235 17:24:14 -2052.756153 1.5099 BFGS: 1236 17:24:14 -2052.865223 1.0828 BFGS: 1237 17:24:14 -2052.951979 0.6020 BFGS: 1238 17:24:14 -2053.008101 0.2842 BFGS: 1239 17:24:14 -2053.027071 0.3119 BFGS: 1240 17:24:14 -2053.030040 0.3451 BFGS: 1241 17:24:14 -2053.033122 0.3515 BFGS: 1242 17:24:14 -2053.033920 0.3769 BFGS: 1243 17:24:14 -2053.034159 0.3951 BFGS: 1244 17:24:14 -2053.034244 0.4045 BFGS: 1245 17:24:14 -2053.034277 0.4120 BFGS: 1246 17:24:14 -2053.034295 0.4160 BFGS: 1247 17:24:15 -2053.034303 0.4191 BFGS: 1248 17:24:15 -2053.034306 0.4220 BFGS: 1249 17:24:15 -2053.034307 0.4223 BFGS: 1250 17:24:15 -2053.034307 0.4224 BFGS: 1251 17:24:15 -2053.034307 0.4224 BFGS: 1252 17:24:15 -2053.034307 0.4225 BFGS: 1253 17:24:15 -2053.034308 0.4226 BFGS: 1254 17:24:15 -2053.034311 0.4228 BFGS: 1255 17:24:15 -2053.034318 0.4232 BFGS: 1256 17:24:15 -2053.034337 0.4240 BFGS: 1257 17:24:15 -2053.034386 0.4256 BFGS: 1258 17:24:15 -2053.034516 0.4290 BFGS: 1259 17:24:15 -2053.034858 0.4366 BFGS: 1260 17:24:15 -2053.035805 0.4563 BFGS: 1261 17:24:15 -2053.039372 0.5256 BFGS: 1262 17:24:15 -2053.077834 0.8413 BFGS: 1263 17:24:16 -2053.224876 1.3449 BFGS: 1264 17:24:16 -2053.701621 2.0048 BFGS: 1265 17:24:16 -2054.741702 2.7246 BFGS: 1266 17:24:16 -2056.444913 3.3704 BFGS: 1267 17:24:16 -2058.885275 3.8815 BFGS: 1268 17:24:16 -2062.087126 4.2122 BFGS: 1269 17:24:16 -2066.029967 4.3221 BFGS: 1270 17:24:16 -2070.634280 4.1911 BFGS: 1271 17:24:16 -2075.691899 3.8187 BFGS: 1272 17:24:16 -2077.708935 3.4211 BFGS: 1273 17:24:16 -2083.776415 3.1388 BFGS: 1274 17:24:16 -2085.997164 2.9723 BFGS: 1275 17:24:16 -2087.161018 3.2392 BFGS: 1276 17:24:16 -2088.574582 3.2347 BFGS: 1277 17:24:16 -2090.131336 3.2897 BFGS: 1278 17:24:17 -2091.731600 3.3426 BFGS: 1279 17:24:17 -2093.328543 3.3956 BFGS: 1280 17:24:17 -2094.885572 3.4473 BFGS: 1281 17:24:17 -2096.402151 3.5006 BFGS: 1282 17:24:17 -2097.824998 3.5581 BFGS: 1283 17:24:17 -2099.217560 3.6235 BFGS: 1284 17:24:17 -2100.516864 3.6955 BFGS: 1285 17:24:17 -2101.731036 3.7789 BFGS: 1286 17:24:17 -2102.817708 3.8689 BFGS: 1287 17:24:17 -2103.853416 3.9643 BFGS: 1288 17:24:17 -2105.014967 4.0360 BFGS: 1289 17:24:17 -2106.047872 4.1100 BFGS: 1290 17:24:17 -2107.161188 4.1755 BFGS: 1291 17:24:17 -2108.240849 4.2242 BFGS: 1292 17:24:17 -2109.338601 4.2693 BFGS: 1293 17:24:18 -2110.643172 4.2976 BFGS: 1294 17:24:18 -2111.822642 4.3229 BFGS: 1295 17:24:18 -2113.035640 4.3491 BFGS: 1296 17:24:18 -2114.219847 4.4521 BFGS: 1297 17:24:18 -2115.608599 4.7221 BFGS: 1298 17:24:18 -2116.978175 4.9957 BFGS: 1299 17:24:18 -2118.729693 5.3470 BFGS: 1300 17:24:18 -2120.180754 5.6302 BFGS: 1301 17:24:18 -2122.146662 6.0322 BFGS: 1302 17:24:18 -2123.932337 6.3871 BFGS: 1303 17:24:18 -2126.068314 6.8092 BFGS: 1304 17:24:18 -2128.133374 7.1966 BFGS: 1305 17:24:18 -2130.343128 7.5890 BFGS: 1306 17:24:18 -2132.546988 7.9209 BFGS: 1307 17:24:18 -2134.428846 8.1038 BFGS: 1308 17:24:19 -2135.667872 8.1548 BFGS: 1309 17:24:19 -2137.048266 8.2305 BFGS: 1310 17:24:19 -2138.318749 8.2761 BFGS: 1311 17:24:19 -2139.626324 8.3239 BFGS: 1312 17:24:19 -2140.914355 8.3642 BFGS: 1313 17:24:19 -2142.264606 8.4042 BFGS: 1314 17:24:19 -2143.603399 8.4331 BFGS: 1315 17:24:19 -2145.012748 8.4609 BFGS: 1316 17:24:19 -2146.402901 8.4800 BFGS: 1317 17:24:19 -2147.835911 8.4937 BFGS: 1318 17:24:19 -2149.285367 8.5009 BFGS: 1319 17:24:19 -2150.840470 8.5018 BFGS: 1320 17:24:19 -2152.391978 8.4907 BFGS: 1321 17:24:19 -2154.132036 8.4730 BFGS: 1322 17:24:19 -2155.746341 8.4438 BFGS: 1323 17:24:20 -2157.899087 8.3882 BFGS: 1324 17:24:20 -2159.548719 8.5849 BFGS: 1325 17:24:20 -2162.232853 9.0260 BFGS: 1326 17:24:20 -2164.156388 9.4236 BFGS: 1327 17:24:20 -2166.862876 9.9011 BFGS: 1328 17:24:20 -2169.527002 10.4204 BFGS: 1329 17:24:20 -2172.118093 10.9124 BFGS: 1330 17:24:20 -2174.920756 11.3679 BFGS: 1331 17:24:20 -2176.342730 11.5038 BFGS: 1332 17:24:20 -2177.241967 11.4910 BFGS: 1333 17:24:20 -2178.079149 11.4096 BFGS: 1334 17:24:20 -2178.876848 11.3159 BFGS: 1335 17:24:20 -2179.674356 11.1794 BFGS: 1336 17:24:20 -2180.548600 11.0424 BFGS: 1337 17:24:21 -2181.388559 10.8784 BFGS: 1338 17:24:21 -2182.357277 10.7101 BFGS: 1339 17:24:21 -2183.261418 10.5199 BFGS: 1340 17:24:21 -2184.312673 10.3238 BFGS: 1341 17:24:21 -2185.282434 10.1177 BFGS: 1342 17:24:21 -2186.373011 9.8980 BFGS: 1343 17:24:21 -2187.402264 9.6604 BFGS: 1344 17:24:21 -2188.550276 9.4235 BFGS: 1345 17:24:21 -2189.627075 9.1629 BFGS: 1346 17:24:21 -2190.822790 8.9037 BFGS: 1347 17:24:21 -2191.958474 8.6208 BFGS: 1348 17:24:21 -2193.195834 8.3460 BFGS: 1349 17:24:21 -2194.380938 8.2816 BFGS: 1350 17:24:21 -2195.658831 8.2057 BFGS: 1351 17:24:21 -2196.912303 8.1364 BFGS: 1352 17:24:22 -2198.223590 8.0404 BFGS: 1353 17:24:22 -2199.529554 7.9475 BFGS: 1354 17:24:22 -2200.867846 7.8293 BFGS: 1355 17:24:22 -2202.217327 7.7067 BFGS: 1356 17:24:22 -2203.583137 7.5592 BFGS: 1357 17:24:22 -2204.967231 7.4026 BFGS: 1358 17:24:22 -2206.363987 7.2179 BFGS: 1359 17:24:22 -2207.760038 7.0251 BFGS: 1360 17:24:22 -2209.177229 6.7975 BFGS: 1361 17:24:22 -2210.586057 6.5558 BFGS: 1362 17:24:22 -2211.996362 6.2776 BFGS: 1363 17:24:22 -2213.382415 5.9848 BFGS: 1364 17:24:22 -2214.762383 5.6447 BFGS: 1365 17:24:22 -2216.088817 5.4724 BFGS: 1366 17:24:22 -2217.397017 5.4829 BFGS: 1367 17:24:23 -2218.635814 5.4175 BFGS: 1368 17:24:23 -2219.824622 5.3636 BFGS: 1369 17:24:23 -2220.915413 5.1741 BFGS: 1370 17:24:23 -2221.928122 5.0460 BFGS: 1371 17:24:23 -2222.823904 4.6449 BFGS: 1372 17:24:23 -2223.614561 4.4828 BFGS: 1373 17:24:23 -2224.323854 3.6181 BFGS: 1374 17:24:23 -2224.929993 3.5354 BFGS: 1375 17:24:23 -2225.548915 2.0797 BFGS: 1376 17:24:23 -2225.986505 1.4123 BFGS: 1377 17:24:23 -2226.329194 1.1845 BFGS: 1378 17:24:23 -2226.482567 0.5810 BFGS: 1379 17:24:23 -2226.552776 0.5404 BFGS: 1380 17:24:23 -2226.574067 0.5320 BFGS: 1381 17:24:24 -2226.590191 0.5134 BFGS: 1382 17:24:24 -2226.601494 0.4896 BFGS: 1383 17:24:24 -2226.625956 0.4105 BFGS: 1384 17:24:24 -2226.649332 0.3113 BFGS: 1385 17:24:24 -2226.678695 0.2576 BFGS: 1386 17:24:24 -2226.699446 0.1801 BFGS: 1387 17:24:24 -2226.709953 0.1473 BFGS: 1388 17:24:24 -2226.713804 0.1507 BFGS: 1389 17:24:24 -2226.714820 0.1056 BFGS: 1390 17:24:24 -2226.715174 0.0901 BFGS: 1391 17:24:24 -2226.715302 0.0926 BFGS: 1392 17:24:24 -2226.715388 0.0906 BFGS: 1393 17:24:24 -2226.715460 0.0859 BFGS: 1394 17:24:24 -2226.715538 0.0794 BFGS: 1395 17:24:25 -2226.715672 0.0718 BFGS: 1396 17:24:25 -2226.715925 0.0774 BFGS: 1397 17:24:25 -2226.716376 0.0980 BFGS: 1398 17:24:25 -2226.717097 0.1130 BFGS: 1399 17:24:25 -2226.718118 0.1084 BFGS: 1400 17:24:25 -2226.719312 0.0764 BFGS: 1401 17:24:25 -2226.720312 0.0596 BFGS: 1402 17:24:25 -2226.720795 0.0250 BFGS: 1403 17:24:25 -2226.720902 0.0072 BFGS: 1404 17:24:25 -2226.720912 0.0021 BFGS: 1405 17:24:25 -2226.720913 0.0004 BFGS: 1406 17:24:25 -2226.720913 0.0001 BFGS: 1407 17:24:25 -2226.720913 0.0001 BFGS: 1408 17:24:25 -2226.720913 0.0000 BFGS: 1409 17:24:26 -2226.720913 0.0000 BFGS: 1410 17:24:26 -2226.720913 0.0000 BFGS: 1411 17:24:26 -2226.720913 0.0000 BFGS: 1412 17:24:26 -2226.720913 0.0000 BFGS: 1413 17:24:26 -2226.720913 0.0000 Minimization converged after 1413 steps. Maximum force component: 1.092230935728172e-08 eV/Angstrom Maximum stress component: 2.2597942350234334e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[2.26045659e-31 6.22677225e-32 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [2.56095174e-31 1.33671645e-01 8.70234682e-01] [4.74019093e-32 8.66328355e-01 8.70234682e-01] [3.66328355e-01 5.00000000e-01 3.70234682e-01] [6.33671645e-01 5.00000000e-01 3.70234682e-01] [5.00000000e-01 6.33671645e-01 6.29765318e-01] [5.00000000e-01 3.66328355e-01 6.29765318e-01] [1.33671645e-01 0.00000000e+00 1.29765318e-01] [8.66328355e-01 0.00000000e+00 1.29765318e-01] [0.00000000e+00 3.57935358e-01 9.54916524e-01] [1.69214064e-31 6.42064642e-01 9.54916524e-01] [1.42064642e-01 5.00000000e-01 4.54916524e-01] [8.57935358e-01 5.00000000e-01 4.54916524e-01] [5.00000000e-01 8.57935358e-01 5.45083476e-01] [5.00000000e-01 1.42064642e-01 5.45083476e-01] [3.57935358e-01 2.91588349e-31 4.50834758e-02] [6.42064642e-01 0.00000000e+00 4.50834758e-02] [0.00000000e+00 3.68429653e-01 6.32164933e-01] [1.95181244e-31 6.31570347e-01 6.32164933e-01] [1.31570347e-01 5.00000000e-01 1.32164933e-01] [8.68429653e-01 5.00000000e-01 1.32164933e-01] [5.00000000e-01 8.68429653e-01 8.67835067e-01] [5.00000000e-01 1.31570347e-01 8.67835067e-01] [3.68429653e-01 0.00000000e+00 3.67835067e-01] [6.31570347e-01 6.85621271e-31 3.67835067e-01] [0.00000000e+00 2.76668385e-01 4.97709357e-01] [6.98823772e-31 7.23331615e-01 4.97709357e-01] [2.23331615e-01 5.00000000e-01 9.97709357e-01] [7.76668385e-01 5.00000000e-01 9.97709357e-01] [5.00000000e-01 7.76668385e-01 2.29064320e-03] [5.00000000e-01 2.23331615e-01 2.29064320e-03] [2.76668385e-01 0.00000000e+00 5.02290643e-01] [7.23331615e-01 2.90193189e-31 5.02290643e-01] [0.00000000e+00 1.65902757e-01 7.30406718e-01] [4.27379005e-32 8.34097243e-01 7.30406718e-01] [3.34097243e-01 5.00000000e-01 2.30406718e-01] [6.65902757e-01 5.00000000e-01 2.30406718e-01] [5.00000000e-01 6.65902757e-01 7.69593282e-01] [5.00000000e-01 3.34097243e-01 7.69593282e-01] [1.65902757e-01 0.00000000e+00 2.69593282e-01] [8.34097243e-01 0.00000000e+00 2.69593282e-01] [2.61274894e-01 3.60811377e-01 5.60437712e-01] [7.38725106e-01 6.39188623e-01 5.60437712e-01] [1.39188623e-01 7.61274894e-01 6.04377119e-02] [8.60811377e-01 2.38725106e-01 6.04377119e-02] [2.38725106e-01 8.60811377e-01 9.39562288e-01] [7.61274894e-01 1.39188623e-01 9.39562288e-01] [3.60811377e-01 2.61274894e-01 4.39562288e-01] [6.39188623e-01 7.38725106e-01 4.39562288e-01] [2.38725106e-01 1.39188623e-01 9.39562288e-01] [7.61274894e-01 8.60811377e-01 9.39562288e-01] [3.60811377e-01 7.38725106e-01 4.39562288e-01] [6.39188623e-01 2.61274894e-01 4.39562288e-01] [2.61274894e-01 6.39188623e-01 5.60437712e-01] [7.38725106e-01 3.60811377e-01 5.60437712e-01] [1.39188623e-01 2.38725106e-01 6.04377119e-02] [8.60811377e-01 7.61274894e-01 6.04377119e-02] [2.43459105e-01 3.63824469e-01 7.02739882e-01] [7.56540895e-01 6.36175531e-01 7.02739882e-01] [1.36175531e-01 7.43459105e-01 2.02739882e-01] [8.63824469e-01 2.56540895e-01 2.02739882e-01] [2.56540895e-01 8.63824469e-01 7.97260118e-01] [7.43459105e-01 1.36175531e-01 7.97260118e-01] [3.63824469e-01 2.43459105e-01 2.97260118e-01] [6.36175531e-01 7.56540895e-01 2.97260118e-01] [2.56540895e-01 1.36175531e-01 7.97260118e-01] [7.43459105e-01 8.63824469e-01 7.97260118e-01] [3.63824469e-01 7.56540895e-01 2.97260118e-01] [6.36175531e-01 2.43459105e-01 2.97260118e-01] [2.43459105e-01 6.36175531e-01 7.02739882e-01] [7.56540895e-01 3.63824469e-01 7.02739882e-01] [1.36175531e-01 2.56540895e-01 2.02739882e-01] [8.63824469e-01 7.43459105e-01 2.02739882e-01] [1.34456289e-01 1.34814909e-01 6.02710895e-01] [8.65543711e-01 8.65185091e-01 6.02710895e-01] [3.65185091e-01 6.34456289e-01 1.02710895e-01] [6.34814909e-01 3.65543711e-01 1.02710895e-01] [3.65543711e-01 6.34814909e-01 8.97289105e-01] [6.34456289e-01 3.65185091e-01 8.97289105e-01] [1.34814909e-01 1.34456289e-01 3.97289105e-01] [8.65185091e-01 8.65543711e-01 3.97289105e-01] [3.65543711e-01 3.65185091e-01 8.97289105e-01] [6.34456289e-01 6.34814909e-01 8.97289105e-01] [1.34814909e-01 8.65543711e-01 3.97289105e-01] [8.65185091e-01 1.34456289e-01 3.97289105e-01] [1.34456289e-01 8.65185091e-01 6.02710895e-01] [8.65543711e-01 1.34814909e-01 6.02710895e-01] [3.65185091e-01 3.65543711e-01 1.02710895e-01] [6.34814909e-01 6.34456289e-01 1.02710895e-01] [1.32452777e-01 3.66370845e-01 8.30092250e-01] [8.67547223e-01 6.33629155e-01 8.30092250e-01] [1.33629155e-01 6.32452777e-01 3.30092250e-01] [8.66370845e-01 3.67547223e-01 3.30092250e-01] [3.67547223e-01 8.66370845e-01 6.69907750e-01] [6.32452777e-01 1.33629155e-01 6.69907750e-01] [3.66370845e-01 1.32452777e-01 1.69907750e-01] [6.33629155e-01 8.67547223e-01 1.69907750e-01] [3.67547223e-01 1.33629155e-01 6.69907750e-01] [6.32452777e-01 8.66370845e-01 6.69907750e-01] [3.66370845e-01 8.67547223e-01 1.69907750e-01] [6.33629155e-01 1.32452777e-01 1.69907750e-01] [1.32452777e-01 6.33629155e-01 8.30092250e-01] [8.67547223e-01 3.66370845e-01 8.30092250e-01] [1.33629155e-01 3.67547223e-01 3.30092250e-01] [8.66370845e-01 6.32452777e-01 3.30092250e-01]] cellpar = Cell([[7.730447452894904, 8.058545215124286e-36, 8.852277726164434e-36], [-6.277738163548151e-36, 7.730447452894936, 1.0975092092372518e-16], [4.75842063361597e-35, 2.798491593430138e-16, 14.924573690275794]]) forces = [[-2.43929911e-29 -2.54282851e-65 -2.79328633e-65] [ 6.09824778e-30 1.10381031e-46 5.88670636e-30] [-6.45731240e-45 9.75702134e-09 4.59856083e-10] [ 4.87859822e-29 -9.75702134e-09 4.59856083e-10] [-9.75702134e-09 8.62271451e-27 4.59856083e-10] [ 9.75702134e-09 8.57392853e-27 4.59856083e-10] [ 1.21964956e-29 9.75702134e-09 -4.59856083e-10] [-2.43929911e-29 -9.75702134e-09 -4.59856083e-10] [ 9.75702134e-09 -8.62271451e-27 -4.59856083e-10] [-9.75702134e-09 -8.62271451e-27 -4.59856083e-10] [ 1.21964956e-29 6.41632762e-10 -7.65665366e-10] [-2.43929911e-29 -6.41632762e-10 -7.65665366e-10] [-6.41632762e-10 -1.43691097e-26 -7.65665366e-10] [ 6.41632762e-10 -1.43569132e-26 -7.65665366e-10] [-1.21964956e-29 6.41632762e-10 7.65665366e-10] [ 1.21964956e-29 -6.41632762e-10 7.65665366e-10] [ 6.41632762e-10 1.43569132e-26 7.65665366e-10] [-6.41632762e-10 1.43813062e-26 7.65665366e-10] [-6.09824778e-30 -1.47003946e-09 -3.51238709e-09] [-1.23923770e-44 1.47003946e-09 -3.51238709e-09] [ 1.47003946e-09 -6.58512647e-26 -3.51238709e-09] [-1.47003946e-09 -6.58604121e-26 -3.51238709e-09] [ 1.23923770e-44 -1.47003946e-09 3.51238709e-09] [ 1.21964956e-29 1.47003946e-09 3.51238709e-09] [-1.47003946e-09 6.58543138e-26 3.51238709e-09] [ 1.47003946e-09 6.58726086e-26 3.51238709e-09] [ 1.21964956e-29 -1.00044515e-09 5.34573309e-09] [ 3.65894867e-29 1.00044515e-09 5.34573309e-09] [ 1.00044515e-09 1.00237296e-25 5.34573309e-09] [-1.00044515e-09 1.00225099e-25 5.34573309e-09] [ 4.87859822e-29 -1.00044515e-09 -5.34573309e-09] [-1.78563092e-44 1.00044515e-09 -5.34573309e-09] [-1.00044515e-09 -1.00225099e-25 -5.34573309e-09] [ 1.00044515e-09 -1.00261689e-25 -5.34573309e-09] [-1.21964956e-29 -5.78295010e-10 -2.16917695e-09] [-1.21964956e-29 5.78295010e-10 -2.16917695e-09] [ 5.78295010e-10 -4.06770649e-26 -2.16917695e-09] [-5.78295010e-10 -4.06770649e-26 -2.16917695e-09] [-1.06719336e-29 -5.78295010e-10 2.16917695e-09] [ 4.57368583e-30 5.78295010e-10 2.16917695e-09] [-5.78295010e-10 4.06740158e-26 2.16917695e-09] [ 5.78295010e-10 4.06862123e-26 2.16917695e-09] [ 1.57507245e-09 -1.97336894e-09 6.60366102e-10] [-1.57507245e-09 1.97336894e-09 6.60366102e-10] [ 1.97336894e-09 1.57507245e-09 6.60366102e-10] [-1.97336894e-09 -1.57507245e-09 6.60366102e-10] [-1.57507245e-09 -1.97336894e-09 -6.60366102e-10] [ 1.57507245e-09 1.97336894e-09 -6.60366102e-10] [-1.97336894e-09 1.57507245e-09 -6.60366102e-10] [ 1.97336894e-09 -1.57507245e-09 -6.60366102e-10] [-1.57507245e-09 1.97336894e-09 -6.60366102e-10] [ 1.57507245e-09 -1.97336894e-09 -6.60366102e-10] [-1.97336894e-09 -1.57507245e-09 -6.60366102e-10] [ 1.97336894e-09 1.57507245e-09 -6.60366102e-10] [ 1.57507245e-09 1.97336894e-09 6.60366102e-10] [-1.57507245e-09 -1.97336894e-09 6.60366102e-10] [ 1.97336894e-09 -1.57507245e-09 6.60366102e-10] [-1.97336894e-09 1.57507245e-09 6.60366102e-10] [-1.46455766e-09 -2.44469723e-11 7.31384651e-09] [ 1.46455766e-09 2.44469723e-11 7.31384651e-09] [ 2.44469723e-11 -1.46455766e-09 7.31384651e-09] [-2.44469723e-11 1.46455766e-09 7.31384651e-09] [ 1.46455766e-09 -2.44469723e-11 -7.31384651e-09] [-1.46455766e-09 2.44469723e-11 -7.31384651e-09] [-2.44469723e-11 -1.46455766e-09 -7.31384651e-09] [ 2.44469723e-11 1.46455766e-09 -7.31384651e-09] [ 1.46455766e-09 2.44469723e-11 -7.31384651e-09] [-1.46455766e-09 -2.44469723e-11 -7.31384651e-09] [-2.44469723e-11 1.46455766e-09 -7.31384651e-09] [ 2.44469723e-11 -1.46455766e-09 -7.31384651e-09] [-1.46455766e-09 2.44469723e-11 7.31384651e-09] [ 1.46455766e-09 -2.44469723e-11 7.31384651e-09] [ 2.44469723e-11 1.46455766e-09 7.31384651e-09] [-2.44469723e-11 -1.46455766e-09 7.31384651e-09] [ 2.55198553e-09 4.15659441e-09 2.84668587e-09] [-2.55198553e-09 -4.15659441e-09 2.84668587e-09] [-4.15659441e-09 2.55198553e-09 2.84668587e-09] [ 4.15659441e-09 -2.55198553e-09 2.84668587e-09] [-2.55198553e-09 4.15659441e-09 -2.84668587e-09] [ 2.55198553e-09 -4.15659441e-09 -2.84668587e-09] [ 4.15659441e-09 2.55198553e-09 -2.84668587e-09] [-4.15659441e-09 -2.55198553e-09 -2.84668587e-09] [-2.55198553e-09 -4.15659441e-09 -2.84668587e-09] [ 2.55198553e-09 4.15659441e-09 -2.84668587e-09] [ 4.15659441e-09 -2.55198553e-09 -2.84668587e-09] [-4.15659441e-09 2.55198553e-09 -2.84668587e-09] [ 2.55198553e-09 -4.15659441e-09 2.84668587e-09] [-2.55198553e-09 4.15659441e-09 2.84668587e-09] [-4.15659441e-09 -2.55198553e-09 2.84668587e-09] [ 4.15659441e-09 2.55198553e-09 2.84668587e-09] [ 1.09223094e-08 -3.23554506e-09 -4.59242269e-09] [-1.09223094e-08 3.23554506e-09 -4.59242269e-09] [ 3.23554506e-09 1.09223094e-08 -4.59242269e-09] [-3.23554506e-09 -1.09223094e-08 -4.59242269e-09] [-1.09223094e-08 -3.23554506e-09 4.59242269e-09] [ 1.09223094e-08 3.23554506e-09 4.59242269e-09] [-3.23554506e-09 1.09223094e-08 4.59242269e-09] [ 3.23554506e-09 -1.09223094e-08 4.59242269e-09] [-1.09223094e-08 3.23554506e-09 4.59242269e-09] [ 1.09223094e-08 -3.23554506e-09 4.59242269e-09] [-3.23554506e-09 -1.09223094e-08 4.59242269e-09] [ 3.23554506e-09 1.09223094e-08 4.59242269e-09] [ 1.09223094e-08 3.23554506e-09 -4.59242269e-09] [-1.09223094e-08 -3.23554506e-09 -4.59242269e-09] [ 3.23554506e-09 -1.09223094e-08 -4.59242269e-09] [-3.23554506e-09 1.09223094e-08 -4.59242269e-09]] stress = [-2.25979424e-10 -2.25979424e-10 -8.87793722e-11 -9.88839000e-27 2.18798250e-31 5.19535493e-47] energy per atom = -21.00680106457894 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0