element(s): ['O', 'Si'] AFLOW prototype label: A2B_hR36_167_def_f Parameter names: ['a', 'c/a', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.0495301', '3.6759176', '0.50600817', '0.90363734', '0.17688175', '0.25203044', '0.041032101', '0.95060742', '0.36070685'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'Si'] representative atom coordinates = [[0.5 0. 0. ] [0.74399183 0. 0.25 ] [0.47451393 0.60063476 0.27751651] [0.57659139 0.83350804 0.28411546]] spacegroup = 167 cell = [[8.0495, 0, 0], [-4.02475, 6.9710714877628, 0], [0, 0, 29.5894]] ========================================= Step Time Energy fmax BFGS: 0 17:28:52 -546.182781 24.117145 BFGS: 1 17:28:54 -601.941163 18.255393 BFGS: 2 17:28:55 -644.751599 14.333261 BFGS: 3 17:28:57 -674.958192 13.917799 BFGS: 4 17:28:59 -705.676088 9.820415 BFGS: 5 17:29:01 -730.400703 9.522957 BFGS: 6 17:29:03 -748.060717 7.685928 BFGS: 7 17:29:04 -763.606314 6.987741 BFGS: 8 17:29:06 -778.611155 7.000025 BFGS: 9 17:29:07 -792.541134 7.182216 BFGS: 10 17:29:09 -809.983847 8.552935 BFGS: 11 17:29:11 -829.525892 8.711160 BFGS: 12 17:29:13 -845.827995 6.795112 BFGS: 13 17:29:14 -852.174379 6.230704 BFGS: 14 17:29:16 -857.091318 5.567806 BFGS: 15 17:29:17 -860.902239 5.076004 BFGS: 16 17:29:19 -864.356086 4.653825 BFGS: 17 17:29:20 -867.701850 4.270382 BFGS: 18 17:29:21 -871.101758 4.043731 BFGS: 19 17:29:23 -874.652351 4.024573 BFGS: 20 17:29:24 -878.367384 4.033046 BFGS: 21 17:29:25 -882.588580 4.076072 BFGS: 22 17:29:27 -887.883401 4.124660 BFGS: 23 17:29:28 -893.774946 4.123438 BFGS: 24 17:29:30 -900.326657 4.459839 BFGS: 25 17:29:32 -907.606509 5.386886 BFGS: 26 17:29:34 -915.744422 6.438598 BFGS: 27 17:29:36 -924.746089 7.673863 BFGS: 28 17:29:38 -934.904902 9.042285 BFGS: 29 17:29:40 -946.200445 10.743361 BFGS: 30 17:29:41 -956.081801 14.513467 BFGS: 31 17:29:43 -972.083677 14.822708 BFGS: 32 17:29:45 -990.013854 16.965447 BFGS: 33 17:29:47 -1009.950144 18.813741 BFGS: 34 17:29:48 -1031.302735 19.599784 BFGS: 35 17:29:50 -1052.130480 17.653953 BFGS: 36 17:29:52 -1068.177063 10.303647 BFGS: 37 17:29:54 -1075.977184 6.794309 BFGS: 38 17:29:55 -1080.279549 5.365299 BFGS: 39 17:29:57 -1084.176468 6.888232 BFGS: 40 17:29:59 -1086.665156 7.024261 BFGS: 41 17:30:00 -1088.941771 6.486027 BFGS: 42 17:30:02 -1090.926126 5.778435 BFGS: 43 17:30:04 -1092.679192 4.977225 BFGS: 44 17:30:06 -1094.117016 4.215493 BFGS: 45 17:30:07 -1095.293205 3.537072 BFGS: 46 17:30:09 -1096.246016 3.429077 BFGS: 47 17:30:10 -1097.041802 3.384780 BFGS: 48 17:30:13 -1097.719097 3.335031 BFGS: 49 17:30:14 -1098.311316 3.286179 BFGS: 50 17:30:16 -1098.840770 3.236369 BFGS: 51 17:30:18 -1099.324240 3.187523 BFGS: 52 17:30:20 -1099.773373 3.139094 BFGS: 53 17:30:21 -1100.196729 3.091642 BFGS: 54 17:30:23 -1100.600440 3.044972 BFGS: 55 17:30:24 -1100.989157 3.002852 BFGS: 56 17:30:26 -1101.365411 2.959723 BFGS: 57 17:30:27 -1101.733476 2.915187 BFGS: 58 17:30:29 -1102.095042 2.881655 BFGS: 59 17:30:31 -1102.450124 2.838898 BFGS: 60 17:30:32 -1102.800555 2.797168 BFGS: 61 17:30:34 -1103.146927 2.755731 BFGS: 62 17:30:36 -1103.489947 2.715086 BFGS: 63 17:30:38 -1103.830141 2.674875 BFGS: 64 17:30:40 -1104.168074 2.639179 BFGS: 65 17:30:42 -1104.503300 2.600390 BFGS: 66 17:30:44 -1104.837482 2.561737 BFGS: 67 17:30:47 -1105.170249 2.523636 BFGS: 68 17:30:50 -1105.501799 2.485993 BFGS: 69 17:30:52 -1105.832323 2.448851 BFGS: 70 17:30:55 -1106.161994 2.412174 BFGS: 71 17:30:57 -1106.490974 2.375986 BFGS: 72 17:30:59 -1106.819416 2.340272 BFGS: 73 17:31:02 -1107.147464 2.305048 BFGS: 74 17:31:04 -1107.475259 2.270311 BFGS: 75 17:31:06 -1107.802937 2.236074 BFGS: 76 17:31:08 -1108.130634 2.202340 BFGS: 77 17:31:10 -1108.458481 2.169123 BFGS: 78 17:31:12 -1108.786745 2.138420 BFGS: 79 17:31:14 -1109.114652 2.105644 BFGS: 80 17:31:16 -1109.443762 2.074603 BFGS: 81 17:31:17 -1109.773466 2.042929 BFGS: 82 17:31:19 -1110.103990 2.012890 BFGS: 83 17:31:22 -1110.435414 1.982460 BFGS: 84 17:31:24 -1110.767876 1.953469 BFGS: 85 17:31:26 -1111.101469 1.924272 BFGS: 86 17:31:29 -1111.436311 1.896388 BFGS: 87 17:31:31 -1111.772488 1.868414 BFGS: 88 17:31:33 -1112.110098 1.841675 BFGS: 89 17:31:35 -1112.449209 1.814914 BFGS: 90 17:31:37 -1112.789892 1.789332 BFGS: 91 17:31:40 -1113.132187 1.763764 BFGS: 92 17:31:43 -1113.476794 1.739970 BFGS: 93 17:31:45 -1113.824897 1.716755 BFGS: 94 17:31:47 -1114.180052 1.694292 BFGS: 95 17:31:49 -1114.536098 1.672736 BFGS: 96 17:31:51 -1114.893785 1.650276 BFGS: 97 17:31:53 -1115.253401 1.629938 BFGS: 98 17:31:55 -1115.615403 1.607672 BFGS: 99 17:31:57 -1115.980141 1.589428 BFGS: 100 17:31:59 -1116.348168 1.566526 BFGS: 101 17:32:01 -1116.719759 1.553090 BFGS: 102 17:32:04 -1117.096173 1.520932 BFGS: 103 17:32:06 -1117.465104 1.450076 BFGS: 104 17:32:08 -1117.851439 1.455677 BFGS: 105 17:32:09 -1118.241146 1.475382 BFGS: 106 17:32:12 -1118.637592 1.491896 BFGS: 107 17:32:14 -1119.040319 1.510527 BFGS: 108 17:32:17 -1119.450224 1.529403 BFGS: 109 17:32:19 -1119.867737 1.549110 BFGS: 110 17:32:21 -1120.293468 1.569341 BFGS: 111 17:32:23 -1120.727967 1.590120 BFGS: 112 17:32:25 -1121.171803 1.611338 BFGS: 113 17:32:28 -1121.625536 1.632935 BFGS: 114 17:32:30 -1122.089718 1.654824 BFGS: 115 17:32:32 -1122.564885 1.676927 BFGS: 116 17:32:35 -1123.051556 1.699157 BFGS: 117 17:32:37 -1123.550221 1.721428 BFGS: 118 17:32:39 -1124.061345 1.743652 BFGS: 119 17:32:41 -1124.585354 1.765737 BFGS: 120 17:32:43 -1125.122635 1.787592 BFGS: 121 17:32:45 -1125.673530 1.809128 BFGS: 122 17:32:46 -1126.238332 1.830254 BFGS: 123 17:32:48 -1126.817279 1.850880 BFGS: 124 17:32:50 -1127.410871 1.870920 BFGS: 125 17:32:52 -1128.019240 1.890920 BFGS: 126 17:32:54 -1128.642922 1.909371 BFGS: 127 17:32:56 -1129.282257 1.927430 BFGS: 128 17:32:58 -1129.935558 1.944601 BFGS: 129 17:33:00 -1130.603333 1.960595 BFGS: 130 17:33:02 -1131.285134 1.975517 BFGS: 131 17:33:04 -1131.980861 1.989338 BFGS: 132 17:33:06 -1132.690140 2.001986 BFGS: 133 17:33:07 -1133.412663 2.013477 BFGS: 134 17:33:09 -1134.147995 2.023735 BFGS: 135 17:33:10 -1134.895707 2.032775 BFGS: 136 17:33:12 -1135.655293 2.040544 BFGS: 137 17:33:13 -1136.426242 2.047060 BFGS: 138 17:33:16 -1137.207988 2.052290 BFGS: 139 17:33:18 -1137.999966 2.056260 BFGS: 140 17:33:20 -1138.802708 2.067033 BFGS: 141 17:33:22 -1139.615444 2.064384 BFGS: 142 17:33:24 -1140.440361 2.067044 BFGS: 143 17:33:27 -1141.269148 2.095040 BFGS: 144 17:33:28 -1142.109740 2.141310 BFGS: 145 17:33:30 -1142.950787 2.202693 BFGS: 146 17:33:32 -1143.807542 2.241744 BFGS: 147 17:33:34 -1144.626554 2.363783 BFGS: 148 17:33:36 -1145.473294 2.443835 BFGS: 149 17:33:38 -1146.360613 2.459325 BFGS: 150 17:33:41 -1147.246721 2.479540 BFGS: 151 17:33:43 -1148.127847 2.507713 BFGS: 152 17:33:45 -1149.009954 2.551880 BFGS: 153 17:33:47 -1149.895014 2.600128 BFGS: 154 17:33:49 -1150.781603 2.656350 BFGS: 155 17:33:51 -1151.671037 2.720131 BFGS: 156 17:33:54 -1152.565026 2.781975 BFGS: 157 17:33:56 -1153.459588 2.842531 BFGS: 158 17:33:59 -1154.355777 2.913268 BFGS: 159 17:34:01 -1155.251415 2.974869 BFGS: 160 17:34:03 -1156.147431 3.039399 BFGS: 161 17:34:06 -1157.043307 3.098437 BFGS: 162 17:34:07 -1157.943468 3.169956 BFGS: 163 17:34:09 -1158.841401 3.231459 BFGS: 164 17:34:11 -1159.738941 3.293188 BFGS: 165 17:34:13 -1160.634664 3.353953 BFGS: 166 17:34:15 -1161.529031 3.414213 BFGS: 167 17:34:17 -1162.421818 3.473768 BFGS: 168 17:34:20 -1163.313067 3.532664 BFGS: 169 17:34:21 -1164.202747 3.590864 BFGS: 170 17:34:23 -1165.090878 3.648367 BFGS: 171 17:34:26 -1165.977490 3.705164 BFGS: 172 17:34:28 -1166.862631 3.761254 BFGS: 173 17:34:30 -1167.746370 3.816639 BFGS: 174 17:34:32 -1168.628788 3.871322 BFGS: 175 17:34:34 -1169.509983 3.925311 BFGS: 176 17:34:36 -1170.390063 3.978617 BFGS: 177 17:34:38 -1171.269151 4.031251 BFGS: 178 17:34:41 -1172.147377 4.083227 BFGS: 179 17:34:43 -1173.024881 4.134562 BFGS: 180 17:34:45 -1173.901807 4.185274 BFGS: 181 17:34:47 -1174.778307 4.235381 BFGS: 182 17:34:49 -1175.654537 4.284904 BFGS: 183 17:34:51 -1176.530654 4.333863 BFGS: 184 17:34:53 -1177.406818 4.382280 BFGS: 185 17:34:55 -1178.283191 4.430178 BFGS: 186 17:34:57 -1179.159932 4.477577 BFGS: 187 17:34:59 -1180.037201 4.524501 BFGS: 188 17:35:01 -1180.915298 4.573377 BFGS: 189 17:35:03 -1181.795027 4.619395 BFGS: 190 17:35:06 -1182.675461 4.664882 BFGS: 191 17:35:08 -1183.557173 4.710162 BFGS: 192 17:35:10 -1184.440145 4.755082 BFGS: 193 17:35:12 -1185.324552 4.799680 BFGS: 194 17:35:14 -1186.210516 4.843955 BFGS: 195 17:35:17 -1187.098174 4.887924 BFGS: 196 17:35:19 -1187.987709 4.934449 BFGS: 197 17:35:22 -1188.880096 4.986693 BFGS: 198 17:35:24 -1189.776079 5.030683 BFGS: 199 17:35:26 -1190.673398 5.073677 BFGS: 200 17:35:28 -1191.573244 5.116642 BFGS: 201 17:35:31 -1192.475422 5.159321 BFGS: 202 17:35:33 -1193.380132 5.201813 BFGS: 203 17:35:35 -1194.287489 5.244054 BFGS: 204 17:35:37 -1195.197940 5.289018 BFGS: 205 17:35:39 -1196.110418 5.330278 BFGS: 206 17:35:41 -1197.026278 5.372243 BFGS: 207 17:35:43 -1197.944990 5.413955 BFGS: 208 17:35:45 -1198.866822 5.455579 BFGS: 209 17:35:47 -1199.791817 5.497085 BFGS: 210 17:35:49 -1200.720073 5.538498 BFGS: 211 17:35:51 -1201.651666 5.579826 BFGS: 212 17:35:54 -1202.586672 5.621083 BFGS: 213 17:35:56 -1203.525162 5.662278 BFGS: 214 17:35:58 -1204.467290 5.704127 BFGS: 215 17:36:00 -1205.414419 5.747162 BFGS: 216 17:36:02 -1206.365604 5.793017 BFGS: 217 17:36:04 -1207.322373 5.839777 BFGS: 218 17:36:06 -1208.281644 5.880547 BFGS: 219 17:36:08 -1209.245336 5.922000 BFGS: 220 17:36:11 -1210.212592 5.963218 BFGS: 221 17:36:13 -1211.184186 6.007765 BFGS: 222 17:36:16 -1212.160347 6.049419 BFGS: 223 17:36:18 -1213.139987 6.090666 BFGS: 224 17:36:20 -1214.123700 6.131955 BFGS: 225 17:36:23 -1215.111437 6.173203 BFGS: 226 17:36:24 -1216.103294 6.214453 BFGS: 227 17:36:27 -1217.099320 6.255705 BFGS: 228 17:36:28 -1218.099565 6.296969 BFGS: 229 17:36:31 -1219.104076 6.338247 BFGS: 230 17:36:33 -1220.112894 6.379544 BFGS: 231 17:36:35 -1221.126432 6.423150 BFGS: 232 17:36:37 -1222.145633 6.465380 BFGS: 233 17:36:39 -1223.168180 6.506743 BFGS: 234 17:36:41 -1224.195327 6.548267 BFGS: 235 17:36:43 -1225.226848 6.589740 BFGS: 236 17:36:45 -1226.262865 6.631238 BFGS: 237 17:36:48 -1227.303399 6.672751 BFGS: 238 17:36:50 -1228.348494 6.717695 BFGS: 239 17:36:52 -1229.400442 6.760157 BFGS: 240 17:36:54 -1230.456018 6.801905 BFGS: 241 17:36:57 -1231.516234 6.843725 BFGS: 242 17:36:59 -1232.580959 6.885485 BFGS: 243 17:37:02 -1233.650300 6.927244 BFGS: 244 17:37:04 -1234.724287 6.969000 BFGS: 245 17:37:06 -1235.803644 7.015167 BFGS: 246 17:37:08 -1236.889693 7.058415 BFGS: 247 17:37:11 -1237.978465 7.100052 BFGS: 248 17:37:13 -1239.072336 7.141984 BFGS: 249 17:37:15 -1240.170814 7.183809 BFGS: 250 17:37:17 -1241.274050 7.225636 BFGS: 251 17:37:20 -1242.382034 7.267443 BFGS: 252 17:37:22 -1243.494786 7.309234 BFGS: 253 17:37:24 -1244.612313 7.351004 BFGS: 254 17:37:26 -1245.734624 7.392748 BFGS: 255 17:37:29 -1246.861722 7.434461 BFGS: 256 17:37:31 -1247.993608 7.476137 BFGS: 257 17:37:34 -1249.130284 7.517769 BFGS: 258 17:37:36 -1250.271771 7.560774 BFGS: 259 17:37:39 -1251.418251 7.601398 BFGS: 260 17:37:41 -1252.570536 7.642998 BFGS: 261 17:37:44 -1253.727313 7.684373 BFGS: 262 17:37:46 -1254.888860 7.725709 BFGS: 263 17:37:48 -1256.055114 7.766945 BFGS: 264 17:37:50 -1257.226080 7.808081 BFGS: 265 17:37:53 -1258.401743 7.849105 BFGS: 266 17:37:55 -1259.582938 7.895636 BFGS: 267 17:37:58 -1260.773136 7.939412 BFGS: 268 17:38:00 -1261.965595 7.984571 BFGS: 269 17:38:02 -1263.165412 8.027511 BFGS: 270 17:38:04 -1264.367851 8.068271 BFGS: 271 17:38:07 -1265.574945 8.108917 BFGS: 272 17:38:09 -1266.786319 8.149238 BFGS: 273 17:38:12 -1268.002066 8.189327 BFGS: 274 17:38:15 -1269.222237 8.233510 BFGS: 275 17:38:17 -1270.446518 8.273282 BFGS: 276 17:38:19 -1271.674877 8.312567 BFGS: 277 17:38:21 -1272.907512 8.355015 BFGS: 278 17:38:24 -1274.144145 8.393612 BFGS: 279 17:38:26 -1275.385072 8.431969 BFGS: 280 17:38:28 -1276.630167 8.470030 BFGS: 281 17:38:30 -1277.879377 8.507787 BFGS: 282 17:38:33 -1279.132758 8.546053 BFGS: 283 17:38:35 -1280.390389 8.583191 BFGS: 284 17:38:38 -1281.651882 8.619905 BFGS: 285 17:38:40 -1282.917210 8.656237 BFGS: 286 17:38:43 -1284.186304 8.692173 BFGS: 287 17:38:45 -1285.459093 8.727699 BFGS: 288 17:38:47 -1286.735499 8.762799 BFGS: 289 17:38:49 -1288.015444 8.797453 BFGS: 290 17:38:51 -1289.299018 8.834438 BFGS: 291 17:38:53 -1290.586627 8.868628 BFGS: 292 17:38:56 -1291.876796 8.904920 BFGS: 293 17:38:58 -1293.171785 8.938496 BFGS: 294 17:39:00 -1294.468811 8.970625 BFGS: 295 17:39:02 -1295.769109 9.006756 BFGS: 296 17:39:04 -1297.074815 9.039159 BFGS: 297 17:39:07 -1298.382252 9.070163 BFGS: 298 17:39:09 -1299.693052 9.100335 BFGS: 299 17:39:11 -1301.006199 9.129727 BFGS: 300 17:39:13 -1302.321840 9.158489 BFGS: 301 17:39:15 -1303.639812 9.186562 BFGS: 302 17:39:17 -1304.960013 9.213936 BFGS: 303 17:39:20 -1306.282585 9.243021 BFGS: 304 17:39:22 -1307.607396 9.269254 BFGS: 305 17:39:24 -1308.933635 9.294338 BFGS: 306 17:39:26 -1310.261768 9.318718 BFGS: 307 17:39:29 -1311.591565 9.342313 BFGS: 308 17:39:31 -1312.923616 9.370331 BFGS: 309 17:39:33 -1314.258271 9.392491 BFGS: 310 17:39:36 -1315.594214 9.413852 BFGS: 311 17:39:38 -1316.931172 9.434312 BFGS: 312 17:39:41 -1318.269114 9.453914 BFGS: 313 17:39:43 -1319.607937 9.472647 BFGS: 314 17:39:45 -1320.947540 9.490507 BFGS: 315 17:39:48 -1322.287811 9.507485 BFGS: 316 17:39:50 -1323.628641 9.523572 BFGS: 317 17:39:52 -1324.969914 9.538760 BFGS: 318 17:39:54 -1326.311517 9.553039 BFGS: 319 17:39:57 -1327.653336 9.566403 BFGS: 320 17:39:59 -1328.995258 9.578845 BFGS: 321 17:40:02 -1330.337174 9.590358 BFGS: 322 17:40:04 -1331.678972 9.600936 BFGS: 323 17:40:07 -1333.020546 9.610573 BFGS: 324 17:40:10 -1334.361935 9.623852 BFGS: 325 17:40:12 -1335.702739 9.631809 BFGS: 326 17:40:14 -1337.042797 9.639877 BFGS: 327 17:40:16 -1338.382377 9.645658 BFGS: 328 17:40:18 -1339.721418 9.650145 BFGS: 329 17:40:21 -1341.059539 9.653761 BFGS: 330 17:40:23 -1342.397289 9.660759 BFGS: 331 17:40:26 -1343.733815 9.662059 BFGS: 332 17:40:29 -1345.070516 9.663090 BFGS: 333 17:40:31 -1346.406260 9.663215 BFGS: 334 17:40:33 -1347.742015 9.673418 BFGS: 335 17:40:36 -1349.083255 9.681078 BFGS: 336 17:40:38 -1350.418683 9.678125 BFGS: 337 17:40:40 -1351.754536 9.679322 BFGS: 338 17:40:43 -1353.090420 9.676477 BFGS: 339 17:40:45 -1354.424290 9.672033 BFGS: 340 17:40:47 -1355.757919 9.671016 BFGS: 341 17:40:50 -1357.093664 9.668313 BFGS: 342 17:40:52 -1358.428116 9.662000 BFGS: 343 17:40:54 -1359.760817 9.654420 BFGS: 344 17:40:56 -1361.092278 9.646125 BFGS: 345 17:40:59 -1362.422540 9.637074 BFGS: 346 17:41:02 -1363.751644 9.627341 BFGS: 347 17:41:04 -1365.079587 9.616910 BFGS: 348 17:41:07 -1366.406370 9.605808 BFGS: 349 17:41:09 -1367.731984 9.594038 BFGS: 350 17:41:12 -1369.056423 9.581617 BFGS: 351 17:41:15 -1370.379686 9.569669 BFGS: 352 17:41:17 -1371.702454 9.555396 BFGS: 353 17:41:20 -1373.024577 9.541101 BFGS: 354 17:41:22 -1374.345310 9.526131 BFGS: 355 17:41:25 -1375.664821 9.510620 BFGS: 356 17:41:27 -1376.983107 9.494531 BFGS: 357 17:41:30 -1378.300186 9.477895 BFGS: 358 17:41:32 -1379.616142 9.463641 BFGS: 359 17:41:35 -1380.931833 9.446492 BFGS: 360 17:41:37 -1382.245376 9.428014 BFGS: 361 17:41:39 -1383.558267 9.409393 BFGS: 362 17:41:41 -1384.869946 9.390204 BFGS: 363 17:41:44 -1386.180483 9.370546 BFGS: 364 17:41:47 -1387.489847 9.350401 BFGS: 365 17:41:49 -1388.798047 9.329799 BFGS: 366 17:41:51 -1390.105241 9.312554 BFGS: 367 17:41:54 -1391.410647 9.290640 BFGS: 368 17:41:56 -1392.715768 9.272743 BFGS: 369 17:41:58 -1394.021380 9.250815 BFGS: 370 17:42:01 -1395.325074 9.228147 BFGS: 371 17:42:03 -1396.628008 9.209741 BFGS: 372 17:42:06 -1397.928856 9.185552 BFGS: 373 17:42:08 -1399.229289 9.161645 BFGS: 374 17:42:11 -1400.528524 9.137465 BFGS: 375 17:42:13 -1401.826617 9.112926 BFGS: 376 17:42:15 -1403.123586 9.088110 BFGS: 377 17:42:18 -1404.419377 9.062943 BFGS: 378 17:42:20 -1405.714024 9.037493 BFGS: 379 17:42:23 -1407.008533 9.018379 BFGS: 380 17:42:25 -1408.304751 8.993408 BFGS: 381 17:42:28 -1409.598534 8.967129 BFGS: 382 17:42:31 -1410.891429 8.944281 BFGS: 383 17:42:34 -1412.181512 8.916911 BFGS: 384 17:42:36 -1413.471820 8.890238 BFGS: 385 17:42:38 -1414.760448 8.862899 BFGS: 386 17:42:41 -1416.047986 8.835408 BFGS: 387 17:42:44 -1417.334147 8.807591 BFGS: 388 17:42:47 -1418.619006 8.779544 BFGS: 389 17:42:50 -1419.902604 8.753147 BFGS: 390 17:42:52 -1421.187061 8.725318 BFGS: 391 17:42:55 -1422.468828 8.696306 BFGS: 392 17:42:57 -1423.749536 8.667424 BFGS: 393 17:43:00 -1425.028512 8.638152 BFGS: 394 17:43:03 -1426.306409 8.610001 BFGS: 395 17:43:05 -1427.582946 8.579693 BFGS: 396 17:43:07 -1428.858853 8.550024 BFGS: 397 17:43:09 -1430.132810 8.520231 BFGS: 398 17:43:12 -1431.405308 8.489676 BFGS: 399 17:43:15 -1432.677012 8.459519 BFGS: 400 17:43:18 -1433.946885 8.430965 BFGS: 401 17:43:20 -1435.215785 8.399558 BFGS: 402 17:43:23 -1436.482697 8.368087 BFGS: 403 17:43:26 -1437.748152 8.336829 BFGS: 404 17:43:28 -1439.011396 8.305156 BFGS: 405 17:43:30 -1440.272957 8.273505 BFGS: 406 17:43:32 -1441.532536 8.243517 BFGS: 407 17:43:35 -1442.790785 8.211453 BFGS: 408 17:43:38 -1444.046429 8.178828 BFGS: 409 17:43:41 -1445.300254 8.146288 BFGS: 410 17:43:44 -1446.551584 8.113342 BFGS: 411 17:43:47 -1447.801204 8.081372 BFGS: 412 17:43:50 -1449.049624 8.048924 BFGS: 413 17:43:53 -1450.297235 8.015993 BFGS: 414 17:43:55 -1451.542741 7.982260 BFGS: 415 17:43:58 -1452.785867 7.948415 BFGS: 416 17:44:01 -1454.026259 7.914232 BFGS: 417 17:44:03 -1455.264125 7.879917 BFGS: 418 17:44:06 -1456.496992 7.845341 BFGS: 419 17:44:09 -1457.722446 7.810923 BFGS: 420 17:44:11 -1458.939569 7.775962 BFGS: 421 17:44:14 -1460.150199 7.743261 BFGS: 422 17:44:17 -1461.353166 7.709011 BFGS: 423 17:44:20 -1462.548218 7.673783 BFGS: 424 17:44:22 -1463.736476 7.639228 BFGS: 425 17:44:25 -1464.917020 7.603715 BFGS: 426 17:44:28 -1466.090871 7.568874 BFGS: 427 17:44:30 -1467.257124 7.533050 BFGS: 428 17:44:33 -1468.416792 7.497947 BFGS: 429 17:44:35 -1469.568931 7.461773 BFGS: 430 17:44:38 -1470.714620 7.426429 BFGS: 431 17:44:40 -1471.852806 7.389850 BFGS: 432 17:44:43 -1472.984708 7.354293 BFGS: 433 17:44:46 -1474.109077 7.317233 BFGS: 434 17:44:49 -1475.227475 7.286386 BFGS: 435 17:44:51 -1476.338144 7.246741 BFGS: 436 17:44:54 -1477.444615 7.212601 BFGS: 437 17:44:56 -1478.541651 7.172136 BFGS: 438 17:44:59 -1479.634948 7.138066 BFGS: 439 17:45:02 -1480.718579 7.097028 BFGS: 440 17:45:05 -1481.798587 7.062517 BFGS: 441 17:45:07 -1482.869130 7.021351 BFGS: 442 17:45:10 -1483.935852 6.988849 BFGS: 443 17:45:13 -1484.995117 6.948757 BFGS: 444 17:45:15 -1486.049481 6.916484 BFGS: 445 17:45:18 -1487.097253 6.876454 BFGS: 446 17:45:20 -1488.140656 6.843850 BFGS: 447 17:45:23 -1489.176243 6.802123 BFGS: 448 17:45:26 -1490.207575 6.767504 BFGS: 449 17:45:28 -1491.231163 6.727448 BFGS: 450 17:45:31 -1492.247565 6.688058 BFGS: 451 17:45:34 -1493.257051 6.646850 BFGS: 452 17:45:36 -1494.260599 6.606809 BFGS: 453 17:45:38 -1495.257467 6.567284 BFGS: 454 17:45:41 -1496.248366 6.527729 BFGS: 455 17:45:43 -1497.231897 6.484604 BFGS: 456 17:45:46 -1498.209975 6.444113 BFGS: 457 17:45:49 -1499.180620 6.400319 BFGS: 458 17:45:51 -1500.145871 6.363648 BFGS: 459 17:45:53 -1501.104619 6.319507 BFGS: 460 17:45:56 -1502.057378 6.276905 BFGS: 461 17:45:58 -1503.003048 6.232017 BFGS: 462 17:46:01 -1503.942657 6.188680 BFGS: 463 17:46:04 -1504.875145 6.147695 BFGS: 464 17:46:06 -1505.802850 6.104123 BFGS: 465 17:46:09 -1506.722852 6.056540 BFGS: 466 17:46:12 -1507.637316 6.012463 BFGS: 467 17:46:15 -1508.543813 5.963828 BFGS: 468 17:46:17 -1509.444750 5.919044 BFGS: 469 17:46:20 -1510.338564 5.881228 BFGS: 470 17:46:22 -1511.231091 5.840049 BFGS: 471 17:46:25 -1512.114406 5.789044 BFGS: 472 17:46:28 -1512.992530 5.744508 BFGS: 473 17:46:30 -1513.861620 5.691901 BFGS: 474 17:46:33 -1514.725097 5.644623 BFGS: 475 17:46:35 -1515.580137 5.592180 BFGS: 476 17:46:38 -1516.428819 5.545469 BFGS: 477 17:46:41 -1517.269705 5.492788 BFGS: 478 17:46:44 -1518.103560 5.441039 BFGS: 479 17:46:46 -1518.929549 5.387455 BFGS: 480 17:46:49 -1519.748131 5.334187 BFGS: 481 17:46:51 -1520.558713 5.279425 BFGS: 482 17:46:54 -1521.361953 5.232022 BFGS: 483 17:46:56 -1522.158402 5.176196 BFGS: 484 17:46:58 -1522.946562 5.119571 BFGS: 485 17:47:01 -1523.726485 5.062221 BFGS: 486 17:47:04 -1524.497971 5.004041 BFGS: 487 17:47:07 -1525.260997 4.945122 BFGS: 488 17:47:09 -1526.015425 4.887273 BFGS: 489 17:47:12 -1526.761265 4.826618 BFGS: 490 17:47:14 -1527.498092 4.765016 BFGS: 491 17:47:17 -1528.226007 4.702801 BFGS: 492 17:47:20 -1528.944520 4.640619 BFGS: 493 17:47:23 -1529.654298 4.581687 BFGS: 494 17:47:25 -1530.355184 4.518989 BFGS: 495 17:47:28 -1531.046394 4.452832 BFGS: 496 17:47:31 -1531.727487 4.385652 BFGS: 497 17:47:34 -1532.398909 4.318107 BFGS: 498 17:47:37 -1533.059961 4.253582 BFGS: 499 17:47:40 -1533.711700 4.184329 BFGS: 500 17:47:42 -1534.352186 4.112895 BFGS: 501 17:47:45 -1534.982245 4.041844 BFGS: 502 17:47:47 -1535.600575 3.967793 BFGS: 503 17:47:50 -1536.208297 3.895203 BFGS: 504 17:47:53 -1536.803984 3.821335 BFGS: 505 17:47:55 -1537.389317 3.748226 BFGS: 506 17:47:58 -1537.961281 3.667290 BFGS: 507 17:48:00 -1538.522689 3.593107 BFGS: 508 17:48:03 -1539.070168 3.509277 BFGS: 509 17:48:05 -1539.606630 3.433139 BFGS: 510 17:48:07 -1540.128944 3.347251 BFGS: 511 17:48:10 -1540.639492 3.268347 BFGS: 512 17:48:13 -1541.135849 3.180875 BFGS: 513 17:48:16 -1541.619662 3.099012 BFGS: 514 17:48:18 -1542.089222 3.009938 BFGS: 515 17:48:21 -1542.545580 2.925284 BFGS: 516 17:48:23 -1542.987704 2.838453 BFGS: 517 17:48:26 -1543.416401 2.750335 BFGS: 518 17:48:28 -1543.830637 2.660942 BFGS: 519 17:48:31 -1544.230975 2.597926 BFGS: 520 17:48:33 -1544.616668 2.541413 BFGS: 521 17:48:35 -1544.987871 2.475104 BFGS: 522 17:48:37 -1545.344228 2.418622 BFGS: 523 17:48:40 -1545.686062 2.356440 BFGS: 524 17:48:43 -1546.013330 2.297790 BFGS: 525 17:48:46 -1546.326047 2.233546 BFGS: 526 17:48:49 -1546.623641 2.174971 BFGS: 527 17:48:52 -1546.906431 2.110763 BFGS: 528 17:48:54 -1547.174137 2.052672 BFGS: 529 17:48:56 -1547.427118 1.988682 BFGS: 530 17:48:59 -1547.665336 1.931574 BFGS: 531 17:49:02 -1547.889667 1.865730 BFGS: 532 17:49:04 -1548.099446 1.818479 BFGS: 533 17:49:08 -1548.295157 1.753040 BFGS: 534 17:49:10 -1548.476631 1.699026 BFGS: 535 17:49:12 -1548.644451 1.635085 BFGS: 536 17:49:14 -1548.799066 1.580998 BFGS: 537 17:49:16 -1548.940592 1.518926 BFGS: 538 17:49:19 -1549.069226 1.465215 BFGS: 539 17:49:22 -1549.185621 1.405370 BFGS: 540 17:49:25 -1549.290084 1.352073 BFGS: 541 17:49:27 -1549.383555 1.295126 BFGS: 542 17:49:30 -1549.466358 1.241494 BFGS: 543 17:49:32 -1549.539250 1.188505 BFGS: 544 17:49:35 -1549.602814 1.135607 BFGS: 545 17:49:38 -1549.658045 1.086638 BFGS: 546 17:49:40 -1549.705679 1.034845 BFGS: 547 17:49:42 -1549.746831 0.990375 BFGS: 548 17:49:45 -1549.782404 0.940718 BFGS: 549 17:49:47 -1549.813593 0.900676 BFGS: 550 17:49:50 -1549.841413 0.854858 BFGS: 551 17:49:53 -1549.867014 0.818808 BFGS: 552 17:49:55 -1549.891326 0.778306 BFGS: 553 17:49:58 -1549.915218 0.745936 BFGS: 554 17:50:01 -1549.939292 0.711085 BFGS: 555 17:50:04 -1549.964010 0.682199 BFGS: 556 17:50:06 -1549.989627 0.727248 BFGS: 557 17:50:09 -1550.016299 0.773707 BFGS: 558 17:50:12 -1550.044074 0.817400 BFGS: 559 17:50:14 -1550.073077 0.856755 BFGS: 560 17:50:17 -1550.102963 0.897129 BFGS: 561 17:50:19 -1550.133811 0.934949 BFGS: 562 17:50:22 -1550.165566 0.971517 BFGS: 563 17:50:24 -1550.198498 1.003060 BFGS: 564 17:50:27 -1550.231572 1.036762 BFGS: 565 17:50:30 -1550.265354 1.069787 BFGS: 566 17:50:32 -1550.300154 1.100253 BFGS: 567 17:50:34 -1550.335524 1.129469 BFGS: 568 17:50:37 -1550.370454 1.160162 BFGS: 569 17:50:40 -1550.404674 1.190534 BFGS: 570 17:50:42 -1550.438124 1.220578 BFGS: 571 17:50:45 -1550.470682 1.250683 BFGS: 572 17:50:47 -1550.502293 1.280826 BFGS: 573 17:50:50 -1550.532871 1.311211 BFGS: 574 17:50:53 -1550.562366 1.341878 BFGS: 575 17:50:56 -1550.590723 1.372980 BFGS: 576 17:50:58 -1550.617920 1.404605 BFGS: 577 17:51:01 -1550.643955 1.436898 BFGS: 578 17:51:03 -1550.668864 1.469975 BFGS: 579 17:51:06 -1550.692720 1.503978 BFGS: 580 17:51:08 -1550.715631 1.539022 BFGS: 581 17:51:11 -1550.737737 1.575213 BFGS: 582 17:51:14 -1550.759193 1.612618 BFGS: 583 17:51:16 -1550.780155 1.651269 BFGS: 584 17:51:20 -1550.800765 1.691157 BFGS: 585 17:51:22 -1550.821141 1.732244 BFGS: 586 17:51:24 -1550.841378 1.774470 BFGS: 587 17:51:27 -1550.861545 1.817763 BFGS: 588 17:51:29 -1550.881689 1.862050 BFGS: 589 17:51:32 -1550.901843 1.907260 BFGS: 590 17:51:34 -1550.922023 1.953328 BFGS: 591 17:51:37 -1550.942237 2.000199 BFGS: 592 17:51:40 -1550.962484 2.047824 BFGS: 593 17:51:42 -1550.982758 2.096168 BFGS: 594 17:51:45 -1551.003049 2.145203 BFGS: 595 17:51:47 -1551.023346 2.194914 BFGS: 596 17:51:50 -1551.043640 2.245296 BFGS: 597 17:51:53 -1551.064110 2.295807 BFGS: 598 17:51:55 -1551.084539 2.347465 BFGS: 599 17:51:58 -1551.104969 2.399773 BFGS: 600 17:52:00 -1551.125020 2.452246 BFGS: 601 17:52:03 -1551.145161 2.505769 BFGS: 602 17:52:05 -1551.165423 2.559765 BFGS: 603 17:52:07 -1551.185790 2.614595 BFGS: 604 17:52:10 -1551.206303 2.669922 BFGS: 605 17:52:13 -1551.226976 2.726024 BFGS: 606 17:52:16 -1551.247882 2.782666 BFGS: 607 17:52:19 -1551.269080 2.840078 BFGS: 608 17:52:21 -1551.291088 2.897880 BFGS: 609 17:52:24 -1551.312427 2.956516 BFGS: 610 17:52:27 -1551.334532 3.016073 BFGS: 611 17:52:29 -1551.357274 3.075930 BFGS: 612 17:52:32 -1551.380757 3.136819 BFGS: 613 17:52:34 -1551.405060 3.197852 BFGS: 614 17:52:37 -1551.430470 3.260054 BFGS: 615 17:52:40 -1551.457193 3.322318 BFGS: 616 17:52:42 -1551.485804 3.385879 BFGS: 617 17:52:45 -1551.516786 3.449452 BFGS: 618 17:52:47 -1551.551477 3.514548 BFGS: 619 17:52:50 -1551.591293 3.579689 BFGS: 620 17:52:52 -1551.640088 3.646887 BFGS: 621 17:52:55 -1551.702703 3.714298 BFGS: 622 17:52:58 -1551.791886 3.784661 BFGS: 623 17:53:00 -1551.922051 3.854048 BFGS: 624 17:53:03 -1552.127040 3.923179 BFGS: 625 17:53:05 -1552.411674 3.976936 BFGS: 626 17:53:08 -1552.733926 4.014556 BFGS: 627 17:53:11 -1553.012204 4.030857 BFGS: 628 17:53:13 -1553.239307 4.036134 BFGS: 629 17:53:15 -1553.460064 4.023615 BFGS: 630 17:53:18 -1553.663198 4.007359 BFGS: 631 17:53:20 -1553.884207 3.966464 BFGS: 632 17:53:23 -1554.095395 3.922457 BFGS: 633 17:53:25 -1554.343854 3.841543 BFGS: 634 17:53:28 -1554.545456 3.783949 BFGS: 635 17:53:31 -1554.853942 3.659637 BFGS: 636 17:53:34 -1555.023439 3.617697 BFGS: 637 17:53:36 -1555.261235 3.518816 BFGS: 638 17:53:39 -1555.426630 3.458862 BFGS: 639 17:53:41 -1555.939484 3.395788 BFGS: 640 17:53:44 -1556.348693 3.338091 BFGS: 641 17:53:47 -1556.708609 3.289875 BFGS: 642 17:53:49 -1557.096299 3.280201 BFGS: 643 17:53:52 -1557.553445 3.336771 BFGS: 644 17:53:54 -1557.984918 3.404771 BFGS: 645 17:53:57 -1558.453664 3.532601 BFGS: 646 17:53:59 -1558.882400 3.596837 BFGS: 647 17:54:02 -1559.326139 3.701458 BFGS: 648 17:54:04 -1559.747461 3.786300 BFGS: 649 17:54:07 -1560.174944 3.881132 BFGS: 650 17:54:10 -1560.580196 3.952336 BFGS: 651 17:54:12 -1560.986660 4.037179 BFGS: 652 17:54:15 -1561.375733 4.107369 BFGS: 653 17:54:17 -1561.762472 4.185456 BFGS: 654 17:54:20 -1562.134087 4.253393 BFGS: 655 17:54:22 -1562.502036 4.326992 BFGS: 656 17:54:25 -1562.856315 4.392669 BFGS: 657 17:54:28 -1563.204687 4.461531 BFGS: 658 17:54:30 -1563.542901 4.527239 BFGS: 659 17:54:33 -1563.874704 4.594494 BFGS: 660 17:54:36 -1564.196807 4.659098 BFGS: 661 17:54:39 -1564.513080 4.725432 BFGS: 662 17:54:42 -1564.820312 4.789668 BFGS: 663 17:54:44 -1565.122262 4.855800 BFGS: 664 17:54:47 -1565.416462 4.919053 BFGS: 665 17:54:49 -1565.699420 4.982948 BFGS: 666 17:54:52 -1565.985861 5.053762 BFGS: 667 17:54:54 -1566.260778 5.117708 BFGS: 668 17:54:57 -1566.533944 5.186850 BFGS: 669 17:55:00 -1566.800420 5.254187 BFGS: 670 17:55:03 -1567.063587 5.322950 BFGS: 671 17:55:06 -1567.321253 5.392461 BFGS: 672 17:55:08 -1567.576889 5.463493 BFGS: 673 17:55:11 -1567.827753 5.533659 BFGS: 674 17:55:13 -1568.077003 5.606233 BFGS: 675 17:55:16 -1568.323440 5.678847 BFGS: 676 17:55:19 -1568.567495 5.752155 BFGS: 677 17:55:22 -1568.809410 5.826015 BFGS: 678 17:55:24 -1569.049413 5.900384 BFGS: 679 17:55:27 -1569.287709 5.975207 BFGS: 680 17:55:30 -1569.524487 6.050431 BFGS: 681 17:55:33 -1569.759917 6.126002 BFGS: 682 17:55:36 -1569.993818 6.207683 BFGS: 683 17:55:38 -1570.222611 6.280790 BFGS: 684 17:55:41 -1570.448688 6.356222 BFGS: 685 17:55:43 -1570.671650 6.430132 BFGS: 686 17:55:46 -1570.891590 6.503123 BFGS: 687 17:55:49 -1571.108682 6.575327 BFGS: 688 17:55:51 -1571.323433 6.646760 BFGS: 689 17:55:54 -1571.534485 6.717717 BFGS: 690 17:55:56 -1571.743828 6.788045 BFGS: 691 17:55:59 -1571.951345 6.856954 BFGS: 692 17:56:02 -1572.155837 6.925220 BFGS: 693 17:56:04 -1572.359071 6.993745 BFGS: 694 17:56:06 -1572.560833 7.061348 BFGS: 695 17:56:09 -1572.761046 7.128099 BFGS: 696 17:56:12 -1572.959716 7.194087 BFGS: 697 17:56:14 -1573.156888 7.259356 BFGS: 698 17:56:16 -1573.352621 7.323932 BFGS: 699 17:56:19 -1573.547491 7.387609 BFGS: 700 17:56:21 -1573.739111 7.450962 BFGS: 701 17:56:23 -1573.930067 7.513770 BFGS: 702 17:56:25 -1574.120264 7.576105 BFGS: 703 17:56:28 -1574.309594 7.637664 BFGS: 704 17:56:31 -1574.498000 7.698530 BFGS: 705 17:56:33 -1574.685468 7.758741 BFGS: 706 17:56:36 -1574.872090 7.817681 BFGS: 707 17:56:39 -1575.057357 7.876851 BFGS: 708 17:56:41 -1575.241846 7.935353 BFGS: 709 17:56:43 -1575.425587 7.993257 BFGS: 710 17:56:45 -1575.608581 8.050585 BFGS: 711 17:56:48 -1575.790834 8.107346 BFGS: 712 17:56:51 -1575.972690 8.163051 BFGS: 713 17:56:54 -1576.151982 8.220377 BFGS: 714 17:56:56 -1576.330993 8.275400 BFGS: 715 17:56:58 -1576.509728 8.330250 BFGS: 716 17:57:01 -1576.688116 8.384513 BFGS: 717 17:57:04 -1576.866091 8.438237 BFGS: 718 17:57:07 -1577.043697 8.495514 BFGS: 719 17:57:09 -1577.219331 8.548262 BFGS: 720 17:57:12 -1577.394769 8.600695 BFGS: 721 17:57:14 -1577.570045 8.652720 BFGS: 722 17:57:17 -1577.745092 8.704245 BFGS: 723 17:57:19 -1577.919851 8.755279 BFGS: 724 17:57:22 -1578.094285 8.805839 BFGS: 725 17:57:24 -1578.268370 8.855939 BFGS: 726 17:57:27 -1578.442093 8.905591 BFGS: 727 17:57:29 -1578.615448 8.954806 BFGS: 728 17:57:31 -1578.788434 9.003595 BFGS: 729 17:57:33 -1578.961142 9.047615 BFGS: 730 17:57:36 -1579.133301 9.096843 BFGS: 731 17:57:39 -1579.305356 9.143928 BFGS: 732 17:57:41 -1579.476126 9.190661 BFGS: 733 17:57:43 -1579.646569 9.237631 BFGS: 734 17:57:46 -1579.816852 9.284242 BFGS: 735 17:57:49 -1579.987006 9.330473 BFGS: 736 17:57:51 -1580.155196 9.378825 BFGS: 737 17:57:53 -1580.323283 9.423850 BFGS: 738 17:57:56 -1580.491473 9.468816 BFGS: 739 17:57:58 -1580.659749 9.513429 BFGS: 740 17:58:01 -1580.828049 9.557686 BFGS: 741 17:58:03 -1580.996319 9.601592 BFGS: 742 17:58:05 -1581.164517 9.645152 BFGS: 743 17:58:08 -1581.332610 9.688373 BFGS: 744 17:58:10 -1581.500575 9.731261 BFGS: 745 17:58:13 -1581.668392 9.773823 BFGS: 746 17:58:15 -1581.836049 9.816063 BFGS: 747 17:58:18 -1582.003534 9.857989 BFGS: 748 17:58:20 -1582.170939 9.910704 BFGS: 749 17:58:23 -1582.336971 9.949289 BFGS: 750 17:58:26 -1582.502769 9.990010 BFGS: 751 17:58:28 -1582.668541 10.030649 BFGS: 752 17:58:31 -1582.834300 10.071058 BFGS: 753 17:58:33 -1583.000022 10.111188 BFGS: 754 17:58:35 -1583.165682 10.151030 BFGS: 755 17:58:38 -1583.331258 10.190587 BFGS: 756 17:58:40 -1583.496734 10.229863 BFGS: 757 17:58:42 -1583.662208 10.282606 BFGS: 758 17:58:45 -1583.822774 10.321494 BFGS: 759 17:58:47 -1583.983925 10.360351 BFGS: 760 17:58:49 -1584.145778 10.399037 BFGS: 761 17:58:52 -1584.308220 10.437434 BFGS: 762 17:58:54 -1584.471115 10.475535 BFGS: 763 17:58:56 -1584.634657 10.521701 BFGS: 764 17:58:59 -1584.795668 10.562964 BFGS: 765 17:59:01 -1584.954069 10.600756 BFGS: 766 17:59:03 -1585.113235 10.638151 BFGS: 767 17:59:06 -1585.273291 10.675310 BFGS: 768 17:59:08 -1585.434111 10.712176 BFGS: 769 17:59:11 -1585.595547 10.748758 BFGS: 770 17:59:13 -1585.757463 10.785065 BFGS: 771 17:59:16 -1585.919758 10.831774 BFGS: 772 17:59:18 -1586.079456 10.866607 BFGS: 773 17:59:20 -1586.239679 10.902016 BFGS: 774 17:59:23 -1586.400476 10.937302 BFGS: 775 17:59:25 -1586.561759 10.972355 BFGS: 776 17:59:28 -1586.723426 11.007153 BFGS: 777 17:59:30 -1586.885383 11.041698 BFGS: 778 17:59:32 -1587.047555 11.075996 BFGS: 779 17:59:35 -1587.209967 11.108350 BFGS: 780 17:59:37 -1587.371884 11.141885 BFGS: 781 17:59:40 -1587.534362 11.174682 BFGS: 782 17:59:42 -1587.695616 11.208945 BFGS: 783 17:59:45 -1587.856834 11.241850 BFGS: 784 17:59:47 -1588.018167 11.274759 BFGS: 785 17:59:50 -1588.179599 11.307480 BFGS: 786 17:59:52 -1588.341102 11.340004 BFGS: 787 17:59:55 -1588.502647 11.372328 BFGS: 788 17:59:58 -1588.664203 11.404452 BFGS: 789 18:00:00 -1588.825744 11.436377 BFGS: 790 18:00:03 -1588.987248 11.468106 BFGS: 791 18:00:05 -1589.148691 11.499639 BFGS: 792 18:00:08 -1589.310058 11.530980 BFGS: 793 18:00:10 -1589.471331 11.562132 BFGS: 794 18:00:13 -1589.632495 11.593096 BFGS: 795 18:00:15 -1589.793539 11.623876 BFGS: 796 18:00:18 -1589.954451 11.654473 BFGS: 797 18:00:21 -1590.115221 11.684891 BFGS: 798 18:00:23 -1590.276337 11.742136 BFGS: 799 18:00:26 -1590.433300 11.770840 BFGS: 800 18:00:28 -1590.589992 11.800392 BFGS: 801 18:00:30 -1590.746635 11.830024 BFGS: 802 18:00:33 -1590.903287 11.859583 BFGS: 803 18:00:35 -1591.059949 11.889016 BFGS: 804 18:00:37 -1591.216991 11.925623 BFGS: 805 18:00:40 -1591.370915 11.954753 BFGS: 806 18:00:42 -1591.525069 11.981853 BFGS: 807 18:00:45 -1591.678010 12.010402 BFGS: 808 18:00:47 -1591.831219 12.039495 BFGS: 809 18:00:49 -1591.984701 12.068569 BFGS: 810 18:00:51 -1592.138425 12.097559 BFGS: 811 18:00:54 -1592.292342 12.126426 BFGS: 812 18:00:56 -1592.446403 12.155157 BFGS: 813 18:00:58 -1592.600563 12.183748 BFGS: 814 18:01:01 -1592.754780 12.212197 BFGS: 815 18:01:04 -1592.909016 12.240506 BFGS: 816 18:01:06 -1593.063239 12.268677 BFGS: 817 18:01:09 -1593.217416 12.296711 BFGS: 818 18:01:11 -1593.371521 12.324612 BFGS: 819 18:01:14 -1593.525527 12.352382 BFGS: 820 18:01:16 -1593.679412 12.380024 BFGS: 821 18:01:19 -1593.833153 12.407542 BFGS: 822 18:01:21 -1593.986732 12.434938 BFGS: 823 18:01:23 -1594.140199 12.469327 BFGS: 824 18:01:26 -1594.290313 12.496354 BFGS: 825 18:01:29 -1594.440324 12.523435 BFGS: 826 18:01:31 -1594.590393 12.550667 BFGS: 827 18:01:34 -1594.740511 12.577857 BFGS: 828 18:01:37 -1594.890650 12.604971 BFGS: 829 18:01:39 -1595.040769 12.631995 BFGS: 830 18:01:42 -1595.190830 12.658922 BFGS: 831 18:01:44 -1595.340793 12.685754 BFGS: 832 18:01:46 -1595.490623 12.712489 BFGS: 833 18:01:48 -1595.640304 12.738965 BFGS: 834 18:01:51 -1595.787816 12.764222 BFGS: 835 18:01:54 -1595.935593 12.790879 BFGS: 836 18:01:56 -1596.083357 12.817391 BFGS: 837 18:01:59 -1596.231051 12.843872 BFGS: 838 18:02:02 -1596.378607 12.870273 BFGS: 839 18:02:04 -1596.526118 12.896504 BFGS: 840 18:02:07 -1596.671459 12.921593 BFGS: 841 18:02:09 -1596.817009 12.948002 BFGS: 842 18:02:12 -1596.962480 12.974220 BFGS: 843 18:02:14 -1597.107809 13.000390 BFGS: 844 18:02:17 -1597.252925 13.026483 BFGS: 845 18:02:19 -1597.397771 13.052498 BFGS: 846 18:02:22 -1597.542299 13.078437 BFGS: 847 18:02:25 -1597.686468 13.104303 BFGS: 848 18:02:28 -1597.830241 13.130100 BFGS: 849 18:02:30 -1597.973584 13.155833 BFGS: 850 18:02:33 -1598.116466 13.181507 BFGS: 851 18:02:35 -1598.258860 13.207124 BFGS: 852 18:02:38 -1598.400738 13.232689 BFGS: 853 18:02:40 -1598.542076 13.258205 BFGS: 854 18:02:43 -1598.682848 13.283677 BFGS: 855 18:02:45 -1598.823032 13.309108 BFGS: 856 18:02:47 -1598.962605 13.334501 BFGS: 857 18:02:50 -1599.101547 13.359860 BFGS: 858 18:02:52 -1599.239834 13.385187 BFGS: 859 18:02:54 -1599.377448 13.410488 BFGS: 860 18:02:58 -1599.514368 13.435765 BFGS: 861 18:03:00 -1599.650574 13.461021 BFGS: 862 18:03:02 -1599.786047 13.486261 BFGS: 863 18:03:05 -1599.920768 13.511488 BFGS: 864 18:03:07 -1600.054719 13.536707 BFGS: 865 18:03:09 -1600.187881 13.561920 BFGS: 866 18:03:12 -1600.320237 13.587132 BFGS: 867 18:03:14 -1600.451769 13.612348 BFGS: 868 18:03:16 -1600.582459 13.637572 BFGS: 869 18:03:19 -1600.712292 13.662808 BFGS: 870 18:03:22 -1600.841250 13.688061 BFGS: 871 18:03:24 -1600.969318 13.713336 BFGS: 872 18:03:26 -1601.096480 13.738638 BFGS: 873 18:03:29 -1601.222720 13.763973 BFGS: 874 18:03:32 -1601.348024 13.789347 BFGS: 875 18:03:34 -1601.472376 13.814765 BFGS: 876 18:03:37 -1601.595761 13.840233 BFGS: 877 18:03:39 -1601.718166 13.865759 BFGS: 878 18:03:42 -1601.839575 13.891349 BFGS: 879 18:03:44 -1601.959975 13.917011 BFGS: 880 18:03:46 -1602.079351 13.942752 BFGS: 881 18:03:48 -1602.197988 13.978732 BFGS: 882 18:03:51 -1602.312703 14.003932 BFGS: 883 18:03:54 -1602.427264 14.029775 BFGS: 884 18:03:57 -1602.541408 14.055590 BFGS: 885 18:03:59 -1602.655025 14.081374 BFGS: 886 18:04:02 -1602.768003 14.107099 BFGS: 887 18:04:05 -1602.880247 14.132777 BFGS: 888 18:04:07 -1602.991675 14.158423 BFGS: 889 18:04:10 -1603.102229 14.188735 BFGS: 890 18:04:13 -1603.211533 14.212931 BFGS: 891 18:04:15 -1603.316763 14.238282 BFGS: 892 18:04:18 -1603.421358 14.274498 BFGS: 893 18:04:19 -1603.523776 14.300992 BFGS: 894 18:04:20 -1603.625335 14.327400 BFGS: 895 18:04:21 -1603.725987 14.353857 BFGS: 896 18:04:21 -1603.825655 14.380385 BFGS: 897 18:04:22 -1603.924268 14.407012 BFGS: 898 18:04:23 -1604.021757 14.433761 BFGS: 899 18:04:24 -1604.118057 14.460652 BFGS: 900 18:04:25 -1604.213103 14.487710 BFGS: 901 18:04:25 -1604.306832 14.514956 BFGS: 902 18:04:26 -1604.399180 14.542413 BFGS: 903 18:04:27 -1604.490087 14.570107 BFGS: 904 18:04:28 -1604.579491 14.598064 BFGS: 905 18:04:29 -1604.667331 14.626312 BFGS: 906 18:04:29 -1604.753547 14.654879 BFGS: 907 18:04:30 -1604.838076 14.683800 BFGS: 908 18:04:31 -1604.920856 14.713107 BFGS: 909 18:04:32 -1605.001828 14.742839 BFGS: 910 18:04:33 -1605.080932 14.773035 BFGS: 911 18:04:33 -1605.158113 14.803739 BFGS: 912 18:04:34 -1605.233324 14.834998 BFGS: 913 18:04:35 -1605.306525 14.866863 BFGS: 914 18:04:36 -1605.377689 14.899388 BFGS: 915 18:04:36 -1605.446961 14.935800 BFGS: 916 18:04:37 -1605.511378 14.969840 BFGS: 917 18:04:38 -1605.573325 15.004283 BFGS: 918 18:04:39 -1605.633117 15.039601 BFGS: 919 18:04:40 -1605.691636 15.073820 BFGS: 920 18:04:40 -1605.752754 15.111158 BFGS: 921 18:04:41 -1605.810495 15.158624 BFGS: 922 18:04:42 -1605.880039 15.200824 BFGS: 923 18:04:43 -1605.944703 15.240177 BFGS: 924 18:04:44 -1606.008532 15.280854 BFGS: 925 18:04:44 -1606.070389 15.321339 BFGS: 926 18:04:45 -1606.131365 15.362423 BFGS: 927 18:04:46 -1606.191468 15.403772 BFGS: 928 18:04:47 -1606.251188 15.445553 BFGS: 929 18:04:48 -1606.310780 15.487692 BFGS: 930 18:04:49 -1606.370605 15.530224 BFGS: 931 18:04:49 -1606.430984 15.573129 BFGS: 932 18:04:50 -1606.492371 15.615650 BFGS: 933 18:04:51 -1606.560264 15.660369 BFGS: 934 18:04:52 -1606.628321 15.704056 BFGS: 935 18:04:53 -1606.699164 15.748877 BFGS: 936 18:04:53 -1606.772334 15.793688 BFGS: 937 18:04:54 -1606.848856 15.839025 BFGS: 938 18:04:55 -1606.929110 15.884636 BFGS: 939 18:04:56 -1607.013866 15.930664 BFGS: 940 18:04:56 -1607.103805 15.977065 BFGS: 941 18:04:57 -1607.199816 16.030741 BFGS: 942 18:04:58 -1607.308002 16.079188 BFGS: 943 18:04:59 -1607.423782 16.127003 BFGS: 944 18:05:00 -1607.549193 16.175687 BFGS: 945 18:05:00 -1607.684939 16.224654 BFGS: 946 18:05:01 -1607.832590 16.274324 BFGS: 947 18:05:02 -1607.993443 16.324562 BFGS: 948 18:05:03 -1608.169128 16.375520 BFGS: 949 18:05:04 -1608.361297 16.427194 BFGS: 950 18:05:04 -1608.571806 16.479668 BFGS: 951 18:05:05 -1608.802629 16.532980 BFGS: 952 18:05:06 -1609.055923 16.587198 BFGS: 953 18:05:07 -1609.334051 16.649243 BFGS: 954 18:05:08 -1609.640778 16.714591 BFGS: 955 18:05:08 -1609.987814 16.773324 BFGS: 956 18:05:09 -1610.370127 16.833291 BFGS: 957 18:05:10 -1610.789044 16.893653 BFGS: 958 18:05:11 -1611.248809 16.955463 BFGS: 959 18:05:12 -1611.752993 17.030446 BFGS: 960 18:05:12 -1612.318417 17.096197 BFGS: 961 18:05:13 -1612.938130 17.163676 BFGS: 962 18:05:14 -1613.613708 17.232107 BFGS: 963 18:05:15 -1614.350168 17.302389 BFGS: 964 18:05:15 -1615.150357 17.374245 BFGS: 965 18:05:16 -1616.018226 17.447992 BFGS: 966 18:05:17 -1616.956494 17.523536 BFGS: 967 18:05:18 -1617.967837 17.600963 BFGS: 968 18:05:19 -1619.053840 17.680185 BFGS: 969 18:05:19 -1620.215376 17.761134 BFGS: 970 18:05:20 -1621.452203 17.843641 BFGS: 971 18:05:21 -1622.763226 17.927553 BFGS: 972 18:05:22 -1624.146496 18.012799 BFGS: 973 18:05:22 -1625.599191 18.099501 BFGS: 974 18:05:23 -1627.117105 18.187870 BFGS: 975 18:05:24 -1628.694027 18.278036 BFGS: 976 18:05:25 -1630.321140 18.369965 BFGS: 977 18:05:26 -1631.986277 18.463471 BFGS: 978 18:05:26 -1633.671372 18.558294 BFGS: 979 18:05:27 -1635.521216 18.649578 BFGS: 980 18:05:28 -1637.898007 18.750861 BFGS: 981 18:05:29 -1640.258555 18.837751 BFGS: 982 18:05:29 -1642.487485 18.916605 BFGS: 983 18:05:30 -1644.673596 18.991329 BFGS: 984 18:05:31 -1646.827051 19.073148 BFGS: 985 18:05:32 -1648.917299 19.141490 BFGS: 986 18:05:33 -1650.987118 19.212412 BFGS: 987 18:05:34 -1653.038480 19.277421 BFGS: 988 18:05:34 -1655.100103 19.342933 BFGS: 989 18:05:35 -1657.149184 19.407414 BFGS: 990 18:05:36 -1659.181551 19.471510 BFGS: 991 18:05:37 -1661.174226 19.531693 BFGS: 992 18:05:38 -1663.165841 19.593003 BFGS: 993 18:05:38 -1665.152401 19.658144 BFGS: 994 18:05:39 -1667.071772 19.723507 BFGS: 995 18:05:40 -1668.994447 19.780873 BFGS: 996 18:05:41 -1670.945232 19.840707 BFGS: 997 18:05:42 -1672.894957 19.906774 BFGS: 998 18:05:42 -1674.815164 19.963425 BFGS: 999 18:05:43 -1676.744603 20.023219 BFGS: 1000 18:05:44 -1678.679266 20.083148 BFGS: 1001 18:05:45 -1680.608491 20.143508 BFGS: 1002 18:05:46 -1682.536361 20.204208 BFGS: 1003 18:05:46 -1684.462716 20.265426 BFGS: 1004 18:05:47 -1686.389078 20.327227 BFGS: 1005 18:05:48 -1688.316211 20.389712 BFGS: 1006 18:05:49 -1690.245031 20.452953 BFGS: 1007 18:05:50 -1692.176313 20.518384 BFGS: 1008 18:05:50 -1694.081495 20.580700 BFGS: 1009 18:05:51 -1696.017227 20.647461 BFGS: 1010 18:05:52 -1697.961564 20.714371 BFGS: 1011 18:05:53 -1699.908089 20.782554 BFGS: 1012 18:05:54 -1701.860557 20.851631 BFGS: 1013 18:05:55 -1703.818237 20.922648 BFGS: 1014 18:05:55 -1705.744757 20.989784 BFGS: 1015 18:05:56 -1707.711828 21.063782 BFGS: 1016 18:05:57 -1709.690429 21.137255 BFGS: 1017 18:05:58 -1711.669146 21.212328 BFGS: 1018 18:05:59 -1713.655468 21.288338 BFGS: 1019 18:05:59 -1715.647054 21.367092 BFGS: 1020 18:06:00 -1717.616155 21.442471 BFGS: 1021 18:06:01 -1719.614958 21.523221 BFGS: 1022 18:06:02 -1721.626589 21.604108 BFGS: 1023 18:06:03 -1723.639016 21.686383 BFGS: 1024 18:06:03 -1725.657813 21.772487 BFGS: 1025 18:06:04 -1727.642562 21.853259 BFGS: 1026 18:06:05 -1729.664448 21.939943 BFGS: 1027 18:06:06 -1731.700496 22.040590 BFGS: 1028 18:06:07 -1733.707956 22.124481 BFGS: 1029 18:06:08 -1735.743293 22.213339 BFGS: 1030 18:06:08 -1737.789931 22.303079 BFGS: 1031 18:06:09 -1739.835921 22.394118 BFGS: 1032 18:06:10 -1741.884403 22.486199 BFGS: 1033 18:06:11 -1743.934167 22.582099 BFGS: 1034 18:06:12 -1745.943716 22.671743 BFGS: 1035 18:06:12 -1747.986974 22.767414 BFGS: 1036 18:06:13 -1750.042352 22.863272 BFGS: 1037 18:06:14 -1752.092075 22.960155 BFGS: 1038 18:06:15 -1754.141768 23.057763 BFGS: 1039 18:06:16 -1756.189469 23.156145 BFGS: 1040 18:06:17 -1758.235345 23.255239 BFGS: 1041 18:06:17 -1760.278904 23.355026 BFGS: 1042 18:06:18 -1762.319901 23.455477 BFGS: 1043 18:06:19 -1764.358478 23.564617 BFGS: 1044 18:06:20 -1766.368349 23.663868 BFGS: 1045 18:06:21 -1768.399052 23.767702 BFGS: 1046 18:06:22 -1770.433449 23.871016 BFGS: 1047 18:06:22 -1772.438308 23.974593 BFGS: 1048 18:06:23 -1774.405891 24.073453 BFGS: 1049 18:06:24 -1776.431446 24.186226 BFGS: 1050 18:06:25 -1778.442728 24.300288 BFGS: 1051 18:06:26 -1780.438498 24.404297 BFGS: 1052 18:06:27 -1782.438086 24.510350 BFGS: 1053 18:06:27 -1784.435435 24.616688 BFGS: 1054 18:06:28 -1786.429147 24.723902 BFGS: 1055 18:06:29 -1788.420117 24.837139 BFGS: 1056 18:06:30 -1790.390344 24.944779 BFGS: 1057 18:06:31 -1792.382271 25.055152 BFGS: 1058 18:06:32 -1794.363979 25.164708 BFGS: 1059 18:06:33 -1796.347748 25.282137 BFGS: 1060 18:06:33 -1798.308123 25.392124 BFGS: 1061 18:06:34 -1800.300383 25.506006 BFGS: 1062 18:06:35 -1802.268827 25.617891 BFGS: 1063 18:06:36 -1804.258408 25.748123 BFGS: 1064 18:06:37 -1806.272643 25.865201 BFGS: 1065 18:06:38 -1808.223900 25.978727 BFGS: 1066 18:06:39 -1810.235741 26.098820 BFGS: 1067 18:06:39 -1812.175450 26.212685 BFGS: 1068 18:06:40 -1814.213968 26.336584 BFGS: 1069 18:06:41 -1816.156685 26.452047 BFGS: 1070 18:06:42 -1818.138079 26.574078 BFGS: 1071 18:06:43 -1820.033480 26.689609 BFGS: 1072 18:06:44 -1822.076044 26.816709 BFGS: 1073 18:06:45 -1824.013719 26.936618 BFGS: 1074 18:06:45 -1825.851351 27.060682 BFGS: 1075 18:06:46 -1828.095659 27.200212 BFGS: 1076 18:06:47 -1830.371409 27.340028 BFGS: 1077 18:06:48 -1832.673279 27.483180 BFGS: 1078 18:06:49 -1834.999503 27.640625 BFGS: 1079 18:06:50 -1837.349330 27.787929 BFGS: 1080 18:06:51 -1839.717299 27.937207 BFGS: 1081 18:06:52 -1842.101415 28.087932 BFGS: 1082 18:06:52 -1844.500525 28.250262 BFGS: 1083 18:06:53 -1846.926511 28.408406 BFGS: 1084 18:06:54 -1849.354166 28.566722 BFGS: 1085 18:06:55 -1851.736784 28.745678 BFGS: 1086 18:06:56 -1854.051541 28.905024 BFGS: 1087 18:06:57 -1856.300104 29.068148 BFGS: 1088 18:06:58 -1858.480581 29.232581 BFGS: 1089 18:06:59 -1860.597112 29.397407 BFGS: 1090 18:06:59 -1862.659450 29.571212 BFGS: 1091 18:07:00 -1864.674914 29.734060 BFGS: 1092 18:07:01 -1866.656237 29.895867 BFGS: 1093 18:07:02 -1868.612799 30.057058 BFGS: 1094 18:07:03 -1870.552949 30.217547 BFGS: 1095 18:07:04 -1872.483931 30.377570 BFGS: 1096 18:07:05 -1874.411892 30.537247 BFGS: 1097 18:07:06 -1876.342897 30.711833 BFGS: 1098 18:07:07 -1878.286171 30.871895 BFGS: 1099 18:07:07 -1880.237492 31.032260 BFGS: 1100 18:07:08 -1882.200699 31.192705 BFGS: 1101 18:07:09 -1884.178445 31.353556 BFGS: 1102 18:07:10 -1886.172784 31.514891 BFGS: 1103 18:07:11 -1888.185382 31.676847 BFGS: 1104 18:07:12 -1890.217737 31.848604 BFGS: 1105 18:07:13 -1892.278608 32.011132 BFGS: 1106 18:07:14 -1894.358368 32.175466 BFGS: 1107 18:07:15 -1896.458843 32.340396 BFGS: 1108 18:07:15 -1898.581480 32.506352 BFGS: 1109 18:07:16 -1900.727372 32.682295 BFGS: 1110 18:07:17 -1902.899231 32.849485 BFGS: 1111 18:07:18 -1905.095058 33.018033 BFGS: 1112 18:07:19 -1907.315448 33.187442 BFGS: 1113 18:07:20 -1909.561065 33.357797 BFGS: 1114 18:07:21 -1911.832358 33.528990 BFGS: 1115 18:07:22 -1914.129970 33.701797 BFGS: 1116 18:07:23 -1916.456847 33.873186 BFGS: 1117 18:07:24 -1918.809618 34.046996 BFGS: 1118 18:07:25 -1921.188854 34.226774 BFGS: 1119 18:07:25 -1923.595819 34.401697 BFGS: 1120 18:07:26 -1926.029899 34.577467 BFGS: 1121 18:07:27 -1928.491783 34.758784 BFGS: 1122 18:07:28 -1930.988537 34.935957 BFGS: 1123 18:07:29 -1933.517685 35.110498 BFGS: 1124 18:07:30 -1936.071925 35.289171 BFGS: 1125 18:07:31 -1938.650095 35.466924 BFGS: 1126 18:07:32 -1941.255293 35.645501 BFGS: 1127 18:07:33 -1943.886916 35.823765 BFGS: 1128 18:07:34 -1946.546021 36.011556 BFGS: 1129 18:07:34 -1949.236311 36.189568 BFGS: 1130 18:07:35 -1951.952607 36.367705 BFGS: 1131 18:07:36 -1954.695236 36.552122 BFGS: 1132 18:07:37 -1957.464538 36.730295 BFGS: 1133 18:07:38 -1960.264705 36.908074 BFGS: 1134 18:07:39 -1963.088521 37.083800 BFGS: 1135 18:07:40 -1965.938817 37.259419 BFGS: 1136 18:07:41 -1968.814111 37.433786 BFGS: 1137 18:07:42 -1971.715125 37.607345 BFGS: 1138 18:07:43 -1974.641174 37.779664 BFGS: 1139 18:07:44 -1977.592216 37.950778 BFGS: 1140 18:07:44 -1980.568051 38.127938 BFGS: 1141 18:07:45 -1983.569867 38.296852 BFGS: 1142 18:07:46 -1986.594273 38.463195 BFGS: 1143 18:07:47 -1989.642559 38.628089 BFGS: 1144 18:07:48 -1992.713108 38.790759 BFGS: 1145 18:07:49 -1995.805933 38.951385 BFGS: 1146 18:07:50 -1998.920113 39.109614 BFGS: 1147 18:07:51 -2002.055776 39.274774 BFGS: 1148 18:07:52 -2005.212240 39.427331 BFGS: 1149 18:07:53 -2008.388857 39.578015 BFGS: 1150 18:07:54 -2011.583263 39.737930 BFGS: 1151 18:07:54 -2014.792617 39.881707 BFGS: 1152 18:07:55 -2018.024034 40.021520 BFGS: 1153 18:07:56 -2021.272890 40.158992 BFGS: 1154 18:07:57 -2024.536101 40.292206 BFGS: 1155 18:07:58 -2027.814485 40.421713 BFGS: 1156 18:07:59 -2031.106499 40.546897 BFGS: 1157 18:08:00 -2034.411863 40.667813 BFGS: 1158 18:08:01 -2037.729748 40.785941 BFGS: 1159 18:08:02 -2041.061704 40.897866 BFGS: 1160 18:08:03 -2044.403478 41.004465 BFGS: 1161 18:08:04 -2047.755633 41.106140 BFGS: 1162 18:08:05 -2051.116907 41.202393 BFGS: 1163 18:08:06 -2054.487127 41.293248 BFGS: 1164 18:08:07 -2057.865655 41.384795 BFGS: 1165 18:08:08 -2061.248452 41.464940 BFGS: 1166 18:08:09 -2064.637680 41.538007 BFGS: 1167 18:08:10 -2068.036307 41.605996 BFGS: 1168 18:08:11 -2071.445222 41.676579 BFGS: 1169 18:08:12 -2074.857157 41.740240 BFGS: 1170 18:08:13 -2078.273189 41.789248 BFGS: 1171 18:08:14 -2081.698845 41.830670 BFGS: 1172 18:08:15 -2085.151828 41.891232 BFGS: 1173 18:08:16 -2088.578145 41.913973 BFGS: 1174 18:08:17 -2092.030341 41.937005 BFGS: 1175 18:08:18 -2095.476214 41.958913 BFGS: 1176 18:08:19 -2098.935783 41.967089 BFGS: 1177 18:08:20 -2102.388554 41.971099 BFGS: 1178 18:08:21 -2105.844334 41.965515 BFGS: 1179 18:08:22 -2109.292839 41.959066 BFGS: 1180 18:08:23 -2112.735349 41.941197 BFGS: 1181 18:08:24 -2116.167727 41.916078 BFGS: 1182 18:08:25 -2119.592869 41.885923 BFGS: 1183 18:08:26 -2123.005986 41.849596 BFGS: 1184 18:08:27 -2126.407550 41.808142 BFGS: 1185 18:08:28 -2129.794539 41.761124 BFGS: 1186 18:08:28 -2133.166769 41.723854 BFGS: 1187 18:08:30 -2136.533391 41.673340 BFGS: 1188 18:08:31 -2139.882070 41.611588 BFGS: 1189 18:08:32 -2143.208177 41.544860 BFGS: 1190 18:08:33 -2146.512872 41.474091 BFGS: 1191 18:08:34 -2149.801806 41.399595 BFGS: 1192 18:08:35 -2153.062078 41.319483 BFGS: 1193 18:08:36 -2156.299963 41.236656 BFGS: 1194 18:08:37 -2159.509625 41.149178 BFGS: 1195 18:08:37 -2162.694504 41.058818 BFGS: 1196 18:08:38 -2165.851652 40.984026 BFGS: 1197 18:08:40 -2168.985678 40.887112 BFGS: 1198 18:08:41 -2172.090415 40.802262 BFGS: 1199 18:08:42 -2175.164734 40.699193 BFGS: 1200 18:08:43 -2178.209097 40.592722 BFGS: 1201 18:08:44 -2181.225885 40.495640 BFGS: 1202 18:08:45 -2184.208958 40.383882 BFGS: 1203 18:08:46 -2187.166320 40.282316 BFGS: 1204 18:08:48 -2190.089410 40.165928 BFGS: 1205 18:08:49 -2192.986447 40.048292 BFGS: 1206 18:08:50 -2195.852477 39.927593 BFGS: 1207 18:08:51 -2198.692557 39.829044 BFGS: 1208 18:08:52 -2201.500264 39.706021 BFGS: 1209 18:08:53 -2204.284742 39.580004 BFGS: 1210 18:08:54 -2207.040971 39.452171 BFGS: 1211 18:08:55 -2209.769568 39.322601 BFGS: 1212 18:08:56 -2212.470941 39.191314 BFGS: 1213 18:08:57 -2215.145662 39.058388 BFGS: 1214 18:08:58 -2217.794161 38.923840 BFGS: 1215 18:08:59 -2220.417258 38.794105 BFGS: 1216 18:09:00 -2223.017000 38.656372 BFGS: 1217 18:09:01 -2225.591568 38.517087 BFGS: 1218 18:09:02 -2228.142263 38.376467 BFGS: 1219 18:09:02 -2230.668990 38.234263 BFGS: 1220 18:09:03 -2233.173027 38.090731 BFGS: 1221 18:09:04 -2235.654552 37.956997 BFGS: 1222 18:09:05 -2238.110635 37.814488 BFGS: 1223 18:09:06 -2240.547399 37.666619 BFGS: 1224 18:09:07 -2242.963547 37.517204 BFGS: 1225 18:09:08 -2245.360100 37.366397 BFGS: 1226 18:09:09 -2247.737024 37.213982 BFGS: 1227 18:09:09 -2250.095475 37.060156 BFGS: 1228 18:09:10 -2252.435311 36.904648 BFGS: 1229 18:09:11 -2254.757858 36.747698 BFGS: 1230 18:09:12 -2257.062783 36.588967 BFGS: 1231 18:09:13 -2259.351646 36.428765 BFGS: 1232 18:09:14 -2261.623820 36.266650 BFGS: 1233 18:09:15 -2263.881210 36.103043 BFGS: 1234 18:09:16 -2266.122738 35.937353 BFGS: 1235 18:09:17 -2268.350843 35.770170 BFGS: 1236 18:09:17 -2270.564327 35.615283 BFGS: 1237 18:09:18 -2272.762774 35.444529 BFGS: 1238 18:09:19 -2274.948402 35.297097 BFGS: 1239 18:09:20 -2277.118602 35.122484 BFGS: 1240 18:09:21 -2279.276604 34.945478 BFGS: 1241 18:09:22 -2281.424521 34.766560 BFGS: 1242 18:09:23 -2283.560592 34.584983 BFGS: 1243 18:09:24 -2285.688123 34.402768 BFGS: 1244 18:09:25 -2287.806866 34.216267 BFGS: 1245 18:09:25 -2289.918114 34.029006 BFGS: 1246 18:09:26 -2292.018344 33.837154 BFGS: 1247 18:09:27 -2294.113434 33.643854 BFGS: 1248 18:09:28 -2296.194483 33.446211 BFGS: 1249 18:09:29 -2298.274406 33.258778 BFGS: 1250 18:09:30 -2300.335354 33.060641 BFGS: 1251 18:09:31 -2302.403519 32.856935 BFGS: 1252 18:09:32 -2304.453421 32.646776 BFGS: 1253 18:09:33 -2306.508582 32.436699 BFGS: 1254 18:09:33 -2308.544857 32.224256 BFGS: 1255 18:09:35 -2310.586491 32.007158 BFGS: 1256 18:09:36 -2312.611285 31.783330 BFGS: 1257 18:09:37 -2314.641050 31.563350 BFGS: 1258 18:09:38 -2316.659101 31.332413 BFGS: 1259 18:09:39 -2318.679149 31.104196 BFGS: 1260 18:09:40 -2320.691588 30.865840 BFGS: 1261 18:09:41 -2322.703162 30.624144 BFGS: 1262 18:09:42 -2324.708222 30.377469 BFGS: 1263 18:09:43 -2326.712046 30.126817 BFGS: 1264 18:09:45 -2328.711073 29.871142 BFGS: 1265 18:09:46 -2330.708906 29.620117 BFGS: 1266 18:09:47 -2332.700894 29.354964 BFGS: 1267 18:09:48 -2334.691869 29.085827 BFGS: 1268 18:09:49 -2336.681832 28.810186 BFGS: 1269 18:09:50 -2338.670504 28.529434 BFGS: 1270 18:09:51 -2340.656782 28.242917 BFGS: 1271 18:09:52 -2342.642330 27.964337 BFGS: 1272 18:09:54 -2344.626976 27.666302 BFGS: 1273 18:09:55 -2346.611751 27.362172 BFGS: 1274 18:09:56 -2348.593053 27.056982 BFGS: 1275 18:09:57 -2350.570794 26.739936 BFGS: 1276 18:09:58 -2352.546220 26.415610 BFGS: 1277 18:09:59 -2354.522369 26.084583 BFGS: 1278 18:10:00 -2356.495962 25.745926 BFGS: 1279 18:10:01 -2358.469392 25.399908 BFGS: 1280 18:10:02 -2360.440132 25.045802 BFGS: 1281 18:10:04 -2362.410012 24.683693 BFGS: 1282 18:10:05 -2364.376932 24.312946 BFGS: 1283 18:10:06 -2366.342260 23.933521 BFGS: 1284 18:10:07 -2368.304145 23.546185 BFGS: 1285 18:10:08 -2370.268748 23.147593 BFGS: 1286 18:10:09 -2372.227825 22.739075 BFGS: 1287 18:10:10 -2374.182561 22.320327 BFGS: 1288 18:10:11 -2376.131805 21.896834 BFGS: 1289 18:10:13 -2378.075143 21.456154 BFGS: 1290 18:10:14 -2380.012384 21.021820 BFGS: 1291 18:10:15 -2381.943415 20.557469 BFGS: 1292 18:10:16 -2383.866487 20.081688 BFGS: 1293 18:10:17 -2385.784498 19.590679 BFGS: 1294 18:10:18 -2387.691542 19.094397 BFGS: 1295 18:10:19 -2389.587740 18.609778 BFGS: 1296 18:10:20 -2391.465123 18.080022 BFGS: 1297 18:10:22 -2393.333113 17.539587 BFGS: 1298 18:10:23 -2395.194329 16.973714 BFGS: 1299 18:10:24 -2397.031832 16.390384 BFGS: 1300 18:10:25 -2398.852304 15.788921 BFGS: 1301 18:10:27 -2400.647370 15.168182 BFGS: 1302 18:10:28 -2402.426424 14.527059 BFGS: 1303 18:10:29 -2404.174411 13.864100 BFGS: 1304 18:10:30 -2405.898041 13.179696 BFGS: 1305 18:10:31 -2407.586461 12.471012 BFGS: 1306 18:10:33 -2409.246268 11.740738 BFGS: 1307 18:10:34 -2410.869772 10.992280 BFGS: 1308 18:10:35 -2412.455444 10.215129 BFGS: 1309 18:10:36 -2413.991272 9.397593 BFGS: 1310 18:10:37 -2415.487493 8.548174 BFGS: 1311 18:10:38 -2416.925839 7.663704 BFGS: 1312 18:10:40 -2418.316236 6.985536 BFGS: 1313 18:10:41 -2419.639718 6.678289 BFGS: 1314 18:10:42 -2420.908573 6.292483 BFGS: 1315 18:10:43 -2422.098613 5.928969 BFGS: 1316 18:10:44 -2423.216537 5.516569 BFGS: 1317 18:10:46 -2424.244650 5.104249 BFGS: 1318 18:10:47 -2425.184524 4.612158 BFGS: 1319 18:10:48 -2426.014168 4.097143 BFGS: 1320 18:10:49 -2426.732166 3.460029 BFGS: 1321 18:10:50 -2427.311630 4.329246 BFGS: 1322 18:10:52 -2427.720187 6.403420 BFGS: 1323 18:10:53 -2427.939766 6.711440 BFGS: 1324 18:10:54 -2428.445601 6.663930 BFGS: 1325 18:10:55 -2428.833047 6.277356 BFGS: 1326 18:10:56 -2429.180652 5.791294 BFGS: 1327 18:10:57 -2429.497904 5.253838 BFGS: 1328 18:10:58 -2429.787565 4.691739 BFGS: 1329 18:11:00 -2430.049780 4.113973 BFGS: 1330 18:11:01 -2430.284038 3.527792 BFGS: 1331 18:11:02 -2430.489386 2.934513 BFGS: 1332 18:11:03 -2430.664685 2.336142 BFGS: 1333 18:11:04 -2430.808561 1.737445 BFGS: 1334 18:11:05 -2430.919610 1.124457 BFGS: 1335 18:11:06 -2430.995091 0.514723 BFGS: 1336 18:11:08 -2431.031495 0.238550 BFGS: 1337 18:11:09 -2431.036457 0.249884 BFGS: 1338 18:11:10 -2431.046022 0.317366 BFGS: 1339 18:11:11 -2431.054119 0.240907 BFGS: 1340 18:11:12 -2431.058280 0.079323 BFGS: 1341 18:11:13 -2431.060100 0.066946 BFGS: 1342 18:11:14 -2431.061157 0.074524 BFGS: 1343 18:11:16 -2431.061928 0.058974 BFGS: 1344 18:11:17 -2431.062141 0.021542 BFGS: 1345 18:11:18 -2431.062163 0.005002 BFGS: 1346 18:11:19 -2431.062165 0.001737 BFGS: 1347 18:11:20 -2431.062165 0.000161 BFGS: 1348 18:11:22 -2431.062165 0.000076 BFGS: 1349 18:11:23 -2431.062165 0.000010 BFGS: 1350 18:11:24 -2431.062165 0.000001 BFGS: 1351 18:11:25 -2431.062165 0.000000 BFGS: 1352 18:11:27 -2431.062165 0.000000 BFGS: 1353 18:11:28 -2431.062165 0.000000 BFGS: 1354 18:11:29 -2431.062165 0.000000 BFGS: 1355 18:11:30 -2431.062165 0.000000 Minimization converged after 1355 steps. Maximum force component: 8.897101100128413e-09 eV/Angstrom Maximum stress component: 3.814448043776251e-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 = [[5.00000000e-01 0.00000000e+00 0.00000000e+00] [1.00000000e+00 5.00000000e-01 0.00000000e+00] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [3.19892564e-16 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.16649048e-29 5.00000000e-01] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [1.66666667e-01 3.33333333e-01 3.33333333e-01] [6.66666667e-01 8.33333333e-01 3.33333333e-01] [1.66666667e-01 8.33333333e-01 3.33333333e-01] [6.66666667e-01 8.33333333e-01 8.33333333e-01] [1.66666667e-01 3.33333333e-01 8.33333333e-01] [1.66666667e-01 8.33333333e-01 8.33333333e-01] [8.33333333e-01 6.66666667e-01 6.66666667e-01] [3.33333333e-01 1.66666667e-01 6.66666667e-01] [8.33333333e-01 1.66666667e-01 6.66666667e-01] [3.33333333e-01 1.66666667e-01 1.66666667e-01] [8.33333333e-01 6.66666667e-01 1.66666667e-01] [8.33333333e-01 1.66666667e-01 1.66666667e-01] [7.82906728e-01 1.16649048e-29 2.50000000e-01] [1.00000000e+00 7.82906728e-01 2.50000000e-01] [2.17093272e-01 2.17093272e-01 2.50000000e-01] [4.49573395e-01 3.33333333e-01 5.83333333e-01] [6.66666667e-01 1.16240061e-01 5.83333333e-01] [8.83759939e-01 5.50426605e-01 5.83333333e-01] [1.16240061e-01 6.66666667e-01 9.16666667e-01] [3.33333333e-01 4.49573395e-01 9.16666667e-01] [5.50426605e-01 8.83759939e-01 9.16666667e-01] [2.17093272e-01 1.39978858e-28 7.50000000e-01] [1.24402664e-16 2.17093272e-01 7.50000000e-01] [7.82906728e-01 7.82906728e-01 7.50000000e-01] [8.83759939e-01 3.33333333e-01 8.33333333e-02] [6.66666667e-01 5.50426605e-01 8.33333333e-02] [4.49573395e-01 1.16240061e-01 8.33333333e-02] [5.50426605e-01 6.66666667e-01 4.16666667e-01] [3.33333333e-01 8.83759939e-01 4.16666667e-01] [1.16240061e-01 4.49573395e-01 4.16666667e-01] [4.24298545e-01 3.87060221e-01 2.07129783e-01] [6.12939779e-01 3.72383239e-02 2.07129783e-01] [9.62761676e-01 5.75701455e-01 2.07129783e-01] [3.87060221e-01 4.24298545e-01 2.92870217e-01] [3.72383239e-02 6.12939779e-01 2.92870217e-01] [5.75701455e-01 9.62761676e-01 2.92870217e-01] [9.09652115e-02 7.20393554e-01 5.40463116e-01] [2.79606446e-01 3.70571657e-01 5.40463116e-01] [6.29428343e-01 9.09034789e-01 5.40463116e-01] [5.37268876e-02 7.57631878e-01 6.26203550e-01] [7.03904991e-01 9.46273112e-01 6.26203550e-01] [2.42368122e-01 2.96095009e-01 6.26203550e-01] [7.57631878e-01 5.37268876e-02 8.73796450e-01] [9.46273112e-01 7.03904991e-01 8.73796450e-01] [2.96095009e-01 2.42368122e-01 8.73796450e-01] [7.20393554e-01 9.09652115e-02 9.59536884e-01] [3.70571657e-01 2.79606446e-01 9.59536884e-01] [9.09034789e-01 6.29428343e-01 9.59536884e-01] [5.75701455e-01 6.12939779e-01 7.92870217e-01] [3.87060221e-01 9.62761676e-01 7.92870217e-01] [3.72383239e-02 4.24298545e-01 7.92870217e-01] [6.12939779e-01 5.75701455e-01 7.07129783e-01] [9.62761676e-01 3.87060221e-01 7.07129783e-01] [4.24298545e-01 3.72383239e-02 7.07129783e-01] [2.42368122e-01 9.46273112e-01 1.26203550e-01] [5.37268876e-02 2.96095009e-01 1.26203550e-01] [7.03904991e-01 7.57631878e-01 1.26203550e-01] [2.79606446e-01 9.09034789e-01 4.04631164e-02] [6.29428343e-01 7.20393554e-01 4.04631164e-02] [9.09652115e-02 3.70571657e-01 4.04631164e-02] [9.09034789e-01 2.79606446e-01 4.59536884e-01] [7.20393554e-01 6.29428343e-01 4.59536884e-01] [3.70571657e-01 9.09652115e-02 4.59536884e-01] [9.46273112e-01 2.42368122e-01 3.73796450e-01] [2.96095009e-01 5.37268876e-02 3.73796450e-01] [7.57631878e-01 7.03904991e-01 3.73796450e-01] [5.43131185e-01 7.16238400e-01 2.26980291e-01] [2.83761600e-01 8.26892784e-01 2.26980291e-01] [1.73107216e-01 4.56868815e-01 2.26980291e-01] [7.16238400e-01 5.43131185e-01 2.73019709e-01] [8.26892784e-01 2.83761600e-01 2.73019709e-01] [4.56868815e-01 1.73107216e-01 2.73019709e-01] [2.09797851e-01 4.95717338e-02 5.60313624e-01] [9.50428266e-01 1.60226117e-01 5.60313624e-01] [8.39773883e-01 7.90202149e-01 5.60313624e-01] [3.82905067e-01 8.76464518e-01 6.06353042e-01] [4.93559451e-01 6.17094933e-01 6.06353042e-01] [1.23535482e-01 5.06440549e-01 6.06353042e-01] [8.76464518e-01 3.82905067e-01 8.93646958e-01] [6.17094933e-01 4.93559451e-01 8.93646958e-01] [5.06440549e-01 1.23535482e-01 8.93646958e-01] [4.95717338e-02 2.09797851e-01 9.39686376e-01] [1.60226117e-01 9.50428266e-01 9.39686376e-01] [7.90202149e-01 8.39773883e-01 9.39686376e-01] [4.56868815e-01 2.83761600e-01 7.73019709e-01] [7.16238400e-01 1.73107216e-01 7.73019709e-01] [8.26892784e-01 5.43131185e-01 7.73019709e-01] [2.83761600e-01 4.56868815e-01 7.26980291e-01] [1.73107216e-01 7.16238400e-01 7.26980291e-01] [5.43131185e-01 8.26892784e-01 7.26980291e-01] [1.23535482e-01 6.17094933e-01 1.06353042e-01] [3.82905067e-01 5.06440549e-01 1.06353042e-01] [4.93559451e-01 8.76464518e-01 1.06353042e-01] [9.50428266e-01 7.90202149e-01 6.03136242e-02] [8.39773883e-01 4.95717338e-02 6.03136242e-02] [2.09797851e-01 1.60226117e-01 6.03136242e-02] [7.90202149e-01 9.50428266e-01 4.39686376e-01] [4.95717338e-02 8.39773883e-01 4.39686376e-01] [1.60226117e-01 2.09797851e-01 4.39686376e-01] [6.17094933e-01 1.23535482e-01 3.93646958e-01] [5.06440549e-01 3.82905067e-01 3.93646958e-01] [8.76464518e-01 4.93559451e-01 3.93646958e-01]] cellpar = Cell([[6.247101905218841, 7.289070540871629e-16, -5.08668159866844e-15], [-3.1235509526094183, 5.4101489499496465, -2.2302069333678277e-14], [-1.743250135700763e-14, -9.99221664780282e-14, 14.271927427000378]]) forces = [[ 8.76105682e-29 -4.55237866e-29 2.40182733e-28] [-1.48937966e-28 1.51745955e-29 8.00609109e-29] [ 1.53318494e-29 4.55237866e-29 -4.00304554e-29] [ 6.13273978e-29 1.51745955e-29 -8.00609109e-29] [ 8.76105682e-30 -6.06983822e-29 6.00456831e-29] [ 5.14712088e-29 -2.84523667e-29 -7.00532970e-29] [-7.88495114e-29 3.03491911e-29 -8.00609109e-29] [ 1.09513210e-28 -7.58729777e-30 5.00380693e-29] [-1.29225588e-28 7.58729777e-29 -2.43215350e-43] [-1.40176909e-28 9.10475733e-29 1.20091366e-28] [ 1.75221136e-29 3.03491911e-29 -2.00152277e-28] [ 7.36305225e-29 -9.00991611e-30 -6.81768694e-29] [ 8.76105682e-29 -3.03491911e-29 2.40182733e-28] [-1.48937966e-28 1.51745955e-29 8.00609109e-29] [ 7.26386772e-44 6.06983822e-29 -4.00304554e-29] [ 5.25663409e-29 3.03491911e-29 -8.00609109e-29] [-7.26386772e-44 -6.06983822e-29 4.00304554e-29] [ 5.25663409e-29 -3.03491911e-29 -8.00609109e-29] [ 8.89710110e-09 1.03831937e-24 -7.24432440e-24] [-4.44855055e-09 7.70511557e-09 -3.17624506e-23] [-4.44855055e-09 -7.70511557e-09 3.90069426e-23] [ 8.89710110e-09 1.03816762e-24 -7.24438444e-24] [-4.44855055e-09 7.70511557e-09 -3.17625056e-23] [-4.44855055e-09 -7.70511557e-09 3.90069251e-23] [ 8.89710110e-09 1.03834972e-24 -7.24433440e-24] [-4.44855055e-09 7.70511557e-09 -3.17624356e-23] [-4.44855055e-09 -7.70511557e-09 3.90069451e-23] [-8.89710110e-09 -1.03810693e-24 7.24440696e-24] [ 4.44855055e-09 -7.70511557e-09 3.17625506e-23] [ 4.44855055e-09 7.70511557e-09 -3.90068613e-23] [-8.89710110e-09 -1.03816762e-24 7.24449453e-24] [ 4.44855055e-09 -7.70511557e-09 3.17624306e-23] [ 4.44855055e-09 7.70511557e-09 -3.90069051e-23] [-8.89710110e-09 -1.03809175e-24 7.24442572e-24] [ 4.44855055e-09 -7.70511557e-09 3.17625607e-23] [ 4.44855055e-09 7.70511557e-09 -3.90069301e-23] [ 5.11827477e-09 1.94681758e-09 -1.52802295e-09] [-4.24513087e-09 3.45914718e-09 -1.52802295e-09] [-8.73143900e-10 -5.40596476e-09 -1.52802295e-09] [-8.73143900e-10 5.40596476e-09 1.52802295e-09] [ 5.11827477e-09 -1.94681758e-09 1.52802295e-09] [-4.24513087e-09 -3.45914718e-09 1.52802295e-09] [ 5.11827477e-09 1.94681758e-09 -1.52802295e-09] [-4.24513087e-09 3.45914718e-09 -1.52802295e-09] [-8.73143900e-10 -5.40596476e-09 -1.52802295e-09] [-8.73143900e-10 5.40596476e-09 1.52802295e-09] [ 5.11827477e-09 -1.94681758e-09 1.52802295e-09] [-4.24513087e-09 -3.45914718e-09 1.52802295e-09] [ 5.11827477e-09 1.94681758e-09 -1.52802295e-09] [-4.24513087e-09 3.45914718e-09 -1.52802295e-09] [-8.73143900e-10 -5.40596476e-09 -1.52802295e-09] [-8.73143900e-10 5.40596476e-09 1.52802295e-09] [ 5.11827477e-09 -1.94681758e-09 1.52802295e-09] [-4.24513087e-09 -3.45914718e-09 1.52802295e-09] [-5.11827477e-09 -1.94681758e-09 1.52802295e-09] [ 4.24513087e-09 -3.45914718e-09 1.52802295e-09] [ 8.73143900e-10 5.40596476e-09 1.52802295e-09] [ 8.73143900e-10 -5.40596476e-09 -1.52802295e-09] [-5.11827477e-09 1.94681758e-09 -1.52802295e-09] [ 4.24513087e-09 3.45914718e-09 -1.52802295e-09] [-5.11827477e-09 -1.94681758e-09 1.52802295e-09] [ 4.24513087e-09 -3.45914718e-09 1.52802295e-09] [ 8.73143900e-10 5.40596476e-09 1.52802295e-09] [ 8.73143900e-10 -5.40596476e-09 -1.52802295e-09] [-5.11827477e-09 1.94681758e-09 -1.52802295e-09] [ 4.24513087e-09 3.45914718e-09 -1.52802295e-09] [-5.11827477e-09 -1.94681758e-09 1.52802295e-09] [ 4.24513087e-09 -3.45914718e-09 1.52802295e-09] [ 8.73143900e-10 5.40596476e-09 1.52802295e-09] [ 8.73143900e-10 -5.40596476e-09 -1.52802295e-09] [-5.11827477e-09 1.94681758e-09 -1.52802295e-09] [ 4.24513087e-09 3.45914718e-09 -1.52802295e-09] [ 1.40315283e-11 -2.91310182e-09 1.70411834e-09] [ 2.51580442e-09 1.46870257e-09 1.70411834e-09] [-2.52983594e-09 1.44439925e-09 1.70411834e-09] [-2.52983594e-09 -1.44439925e-09 -1.70411834e-09] [ 1.40315283e-11 2.91310182e-09 -1.70411834e-09] [ 2.51580442e-09 -1.46870257e-09 -1.70411834e-09] [ 1.40315283e-11 -2.91310182e-09 1.70411834e-09] [ 2.51580442e-09 1.46870257e-09 1.70411834e-09] [-2.52983594e-09 1.44439925e-09 1.70411834e-09] [-2.52983594e-09 -1.44439925e-09 -1.70411834e-09] [ 1.40315283e-11 2.91310182e-09 -1.70411834e-09] [ 2.51580442e-09 -1.46870257e-09 -1.70411834e-09] [ 1.40315283e-11 -2.91310182e-09 1.70411834e-09] [ 2.51580442e-09 1.46870257e-09 1.70411834e-09] [-2.52983594e-09 1.44439925e-09 1.70411834e-09] [-2.52983594e-09 -1.44439925e-09 -1.70411834e-09] [ 1.40315283e-11 2.91310182e-09 -1.70411834e-09] [ 2.51580442e-09 -1.46870257e-09 -1.70411834e-09] [-1.40315283e-11 2.91310182e-09 -1.70411834e-09] [-2.51580442e-09 -1.46870257e-09 -1.70411834e-09] [ 2.52983594e-09 -1.44439925e-09 -1.70411834e-09] [ 2.52983594e-09 1.44439925e-09 1.70411834e-09] [-1.40315283e-11 -2.91310182e-09 1.70411834e-09] [-2.51580442e-09 1.46870257e-09 1.70411834e-09] [-1.40315283e-11 2.91310182e-09 -1.70411834e-09] [-2.51580442e-09 -1.46870257e-09 -1.70411834e-09] [ 2.52983594e-09 -1.44439925e-09 -1.70411834e-09] [ 2.52983594e-09 1.44439925e-09 1.70411834e-09] [-1.40315283e-11 -2.91310182e-09 1.70411834e-09] [-2.51580442e-09 1.46870257e-09 1.70411834e-09] [-1.40315283e-11 2.91310182e-09 -1.70411834e-09] [-2.51580442e-09 -1.46870257e-09 -1.70411834e-09] [ 2.52983594e-09 -1.44439925e-09 -1.70411834e-09] [ 2.52983594e-09 1.44439925e-09 1.70411834e-09] [-1.40315283e-11 -2.91310182e-09 1.70411834e-09] [-2.51580442e-09 1.46870257e-09 1.70411834e-09]] stress = [-3.81444804e-10 -3.81444804e-10 -1.94357387e-10 -8.79344586e-24 -2.43599626e-24 1.16001487e-25] energy per atom = -22.509834859079167 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0