element(s): ['O', 'P'] AFLOW prototype label: A5B2_oF56_43_a2b_b Parameter names: ['a', 'b/a', 'c/a', 'z1', 'x2', 'y2', 'z2', '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: ['16.7032', '0.76205158', '0.14162556', '0.47610414', '0.77101012', '0.080536763', '0.72683853', '0.87461361', '0.18887078', '0.74192003', '0.80991494', '0.15258521', '0.23015437'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'P'] representative atom coordinates = [[0. 0. 0.22610414] [0.66946324 0.02101012 0.22683853] [0.56112922 0.12461361 0.24192003] [0.59741479 0.05991494 0.73015437]] spacegroup = 43 cell = [[12.7287, 0, 0], [0, 16.7032, 0], [0, 0, 2.3656]] ========================================= Step Time Energy fmax BFGS: 0 12:09:29 -535.532903 30.958620 BFGS: 1 12:09:30 -575.804296 17.549487 BFGS: 2 12:09:31 -592.038184 16.216440 BFGS: 3 12:09:32 -601.627402 12.638168 BFGS: 4 12:09:34 -606.835200 8.908228 BFGS: 5 12:09:35 -609.770697 8.270775 BFGS: 6 12:09:36 -611.980779 8.818925 BFGS: 7 12:09:37 -613.735009 9.115589 BFGS: 8 12:09:38 -615.285287 9.377425 BFGS: 9 12:09:40 -616.729168 9.613029 BFGS: 10 12:09:41 -618.114642 9.803634 BFGS: 11 12:09:42 -619.473110 9.979899 BFGS: 12 12:09:43 -620.820783 10.148984 BFGS: 13 12:09:45 -622.167721 10.312539 BFGS: 14 12:09:46 -623.514957 10.483224 BFGS: 15 12:09:47 -624.865527 10.649285 BFGS: 16 12:09:48 -626.222246 10.811040 BFGS: 17 12:09:50 -627.585837 10.972681 BFGS: 18 12:09:51 -628.959115 11.134685 BFGS: 19 12:09:52 -630.345387 11.298849 BFGS: 20 12:09:53 -631.751613 11.464768 BFGS: 21 12:09:55 -633.182102 11.632021 BFGS: 22 12:09:56 -634.641033 11.818128 BFGS: 23 12:09:57 -636.136124 11.994223 BFGS: 24 12:09:59 -637.676227 12.176660 BFGS: 25 12:10:00 -639.274298 12.367336 BFGS: 26 12:10:01 -640.947289 12.568643 BFGS: 27 12:10:02 -642.717399 12.783491 BFGS: 28 12:10:03 -644.613166 13.015237 BFGS: 29 12:10:04 -646.669842 13.267431 BFGS: 30 12:10:06 -648.928300 13.543327 BFGS: 31 12:10:07 -651.432420 13.845328 BFGS: 32 12:10:08 -654.227171 14.176047 BFGS: 33 12:10:09 -657.358383 14.535718 BFGS: 34 12:10:10 -660.878722 14.922318 BFGS: 35 12:10:11 -664.850389 15.336778 BFGS: 36 12:10:12 -669.348979 15.783197 BFGS: 37 12:10:13 -674.450848 16.256385 BFGS: 38 12:10:14 -680.231828 16.746922 BFGS: 39 12:10:15 -686.736715 17.233672 BFGS: 40 12:10:16 -693.943820 17.671982 BFGS: 41 12:10:17 -701.699840 17.979197 BFGS: 42 12:10:18 -709.857624 18.015001 BFGS: 43 12:10:20 -717.288976 17.688719 BFGS: 44 12:10:21 -723.022638 17.174246 BFGS: 45 12:10:22 -727.626588 16.701008 BFGS: 46 12:10:23 -731.674713 16.727901 BFGS: 47 12:10:25 -735.547060 16.756807 BFGS: 48 12:10:26 -739.445373 16.785175 BFGS: 49 12:10:27 -743.597761 16.833175 BFGS: 50 12:10:29 -748.001511 16.879878 BFGS: 51 12:10:30 -752.586793 16.903842 BFGS: 52 12:10:31 -757.255932 16.858102 BFGS: 53 12:10:32 -761.756321 16.700206 BFGS: 54 12:10:34 -765.532297 16.408582 BFGS: 55 12:10:35 -768.499933 16.081405 BFGS: 56 12:10:37 -770.767809 15.811544 BFGS: 57 12:10:38 -772.581242 15.615043 BFGS: 58 12:10:39 -774.175306 15.468636 BFGS: 59 12:10:40 -775.653908 15.355851 BFGS: 60 12:10:42 -777.068292 15.273129 BFGS: 61 12:10:43 -778.446366 15.252731 BFGS: 62 12:10:44 -779.804894 15.240015 BFGS: 63 12:10:46 -781.154937 15.221311 BFGS: 64 12:10:47 -782.501558 15.204003 BFGS: 65 12:10:48 -783.849275 15.185446 BFGS: 66 12:10:49 -785.201034 15.170568 BFGS: 67 12:10:51 -786.565721 15.161005 BFGS: 68 12:10:52 -787.953165 15.154690 BFGS: 69 12:10:53 -789.368162 15.151072 BFGS: 70 12:10:55 -790.814222 15.151343 BFGS: 71 12:10:56 -792.294837 15.154607 BFGS: 72 12:10:57 -793.812677 15.161310 BFGS: 73 12:10:58 -795.368739 15.168868 BFGS: 74 12:11:00 -796.964342 15.205129 BFGS: 75 12:11:01 -798.602341 15.275583 BFGS: 76 12:11:02 -800.262869 15.351658 BFGS: 77 12:11:03 -801.934585 15.429477 BFGS: 78 12:11:04 -803.618228 15.509970 BFGS: 79 12:11:05 -805.314529 15.592779 BFGS: 80 12:11:07 -807.024170 15.677772 BFGS: 81 12:11:08 -808.747766 15.764855 BFGS: 82 12:11:09 -810.486192 15.860870 BFGS: 83 12:11:10 -812.239428 15.952129 BFGS: 84 12:11:11 -814.008308 16.045430 BFGS: 85 12:11:13 -815.793500 16.147471 BFGS: 86 12:11:14 -817.593333 16.243529 BFGS: 87 12:11:15 -819.410380 16.348432 BFGS: 88 12:11:16 -821.248628 16.448211 BFGS: 89 12:11:18 -823.105263 16.550331 BFGS: 90 12:11:19 -824.980679 16.654494 BFGS: 91 12:11:20 -826.875717 16.764170 BFGS: 92 12:11:21 -828.792385 16.874367 BFGS: 93 12:11:22 -830.729236 16.984366 BFGS: 94 12:11:24 -832.687148 17.096297 BFGS: 95 12:11:25 -834.666926 17.211126 BFGS: 96 12:11:26 -836.670138 17.326451 BFGS: 97 12:11:27 -838.696833 17.448176 BFGS: 98 12:11:29 -840.748562 17.577353 BFGS: 99 12:11:30 -842.825506 17.697406 BFGS: 100 12:11:31 -844.927516 17.819066 BFGS: 101 12:11:32 -847.055437 17.942081 BFGS: 102 12:11:33 -849.210686 18.069988 BFGS: 103 12:11:35 -851.395053 18.195598 BFGS: 104 12:11:36 -853.608586 18.328543 BFGS: 105 12:11:37 -855.850192 18.461534 BFGS: 106 12:11:38 -858.123286 18.589749 BFGS: 107 12:11:40 -860.430651 18.718039 BFGS: 108 12:11:41 -862.774059 18.846201 BFGS: 109 12:11:42 -865.155566 18.973958 BFGS: 110 12:11:44 -867.577566 19.100977 BFGS: 111 12:11:45 -870.042862 19.226876 BFGS: 112 12:11:46 -872.554762 19.351221 BFGS: 113 12:11:48 -875.117218 19.473530 BFGS: 114 12:11:49 -877.735613 19.595476 BFGS: 115 12:11:50 -880.417318 19.711733 BFGS: 116 12:11:52 -883.167324 19.824255 BFGS: 117 12:11:53 -885.994698 19.932355 BFGS: 118 12:11:54 -888.870513 20.033865 BFGS: 119 12:11:55 -891.798687 20.130000 BFGS: 120 12:11:57 -894.786637 20.223183 BFGS: 121 12:11:58 -897.847762 20.300520 BFGS: 122 12:11:59 -900.995677 20.368384 BFGS: 123 12:12:01 -904.250852 20.426021 BFGS: 124 12:12:02 -907.639844 20.487876 BFGS: 125 12:12:03 -911.195548 20.523959 BFGS: 126 12:12:05 -914.940390 20.554327 BFGS: 127 12:12:06 -918.899401 20.857233 BFGS: 128 12:12:07 -923.089260 21.161286 BFGS: 129 12:12:09 -927.508734 21.442138 BFGS: 130 12:12:10 -932.139764 21.687843 BFGS: 131 12:12:11 -936.923563 21.864178 BFGS: 132 12:12:12 -941.725384 21.938951 BFGS: 133 12:12:14 -946.524170 21.866672 BFGS: 134 12:12:15 -951.190255 21.630266 BFGS: 135 12:12:16 -954.891921 21.390506 BFGS: 136 12:12:18 -957.880080 21.225058 BFGS: 137 12:12:19 -960.554521 21.116066 BFGS: 138 12:12:21 -963.082136 21.044409 BFGS: 139 12:12:22 -965.541451 20.994282 BFGS: 140 12:12:23 -967.974477 20.985811 BFGS: 141 12:12:24 -970.404683 20.973921 BFGS: 142 12:12:25 -972.849206 20.973427 BFGS: 143 12:12:27 -975.316821 20.993221 BFGS: 144 12:12:28 -977.804946 21.008634 BFGS: 145 12:12:29 -980.314094 21.030260 BFGS: 146 12:12:31 -982.839117 21.057625 BFGS: 147 12:12:32 -985.391657 21.091769 BFGS: 148 12:12:34 -987.985018 21.127274 BFGS: 149 12:12:35 -990.626158 21.168987 BFGS: 150 12:12:36 -993.318401 21.217371 BFGS: 151 12:12:38 -996.013220 21.271375 BFGS: 152 12:12:39 -998.657565 21.329045 BFGS: 153 12:12:40 -1001.250038 21.392232 BFGS: 154 12:12:42 -1003.793911 21.467500 BFGS: 155 12:12:43 -1006.295124 21.534462 BFGS: 156 12:12:44 -1008.750581 21.604521 BFGS: 157 12:12:46 -1011.162927 21.677429 BFGS: 158 12:12:47 -1013.537020 21.751969 BFGS: 159 12:12:48 -1015.875054 21.828214 BFGS: 160 12:12:49 -1018.179199 21.911718 BFGS: 161 12:12:51 -1020.453486 21.990673 BFGS: 162 12:12:52 -1022.698578 22.069434 BFGS: 163 12:12:53 -1024.914006 22.148623 BFGS: 164 12:12:55 -1027.103606 22.227728 BFGS: 165 12:12:56 -1029.267384 22.310653 BFGS: 166 12:12:58 -1031.413027 22.387482 BFGS: 167 12:12:59 -1033.549815 22.473534 BFGS: 168 12:13:00 -1035.683491 22.551295 BFGS: 169 12:13:02 -1037.810800 22.632141 BFGS: 170 12:13:03 -1039.928158 22.705516 BFGS: 171 12:13:04 -1042.050403 22.773332 BFGS: 172 12:13:06 -1044.163901 22.840488 BFGS: 173 12:13:07 -1046.281042 22.902711 BFGS: 174 12:13:08 -1048.395159 22.966731 BFGS: 175 12:13:09 -1050.514330 23.022267 BFGS: 176 12:13:11 -1052.635456 23.074728 BFGS: 177 12:13:12 -1054.764011 23.125075 BFGS: 178 12:13:13 -1056.902388 23.172272 BFGS: 179 12:13:15 -1059.048193 23.213793 BFGS: 180 12:13:16 -1061.208840 23.251067 BFGS: 181 12:13:18 -1063.384937 23.288489 BFGS: 182 12:13:19 -1065.583113 23.319630 BFGS: 183 12:13:21 -1067.804654 23.348581 BFGS: 184 12:13:22 -1070.055219 23.377197 BFGS: 185 12:13:24 -1072.336909 23.404873 BFGS: 186 12:13:25 -1074.656329 23.430968 BFGS: 187 12:13:26 -1077.013752 23.458293 BFGS: 188 12:13:28 -1079.378058 23.488868 BFGS: 189 12:13:29 -1081.743899 23.520449 BFGS: 190 12:13:31 -1084.133445 23.557070 BFGS: 191 12:13:32 -1086.569366 23.592567 BFGS: 192 12:13:33 -1089.081376 23.631450 BFGS: 193 12:13:35 -1091.702585 23.677832 BFGS: 194 12:13:36 -1094.476436 23.730273 BFGS: 195 12:13:38 -1097.443763 23.797766 BFGS: 196 12:13:39 -1100.658816 23.883477 BFGS: 197 12:13:40 -1104.156344 23.982478 BFGS: 198 12:13:42 -1107.986101 24.099332 BFGS: 199 12:13:44 -1112.194626 24.239665 BFGS: 200 12:13:45 -1116.851384 24.402541 BFGS: 201 12:13:46 -1122.042238 24.593582 BFGS: 202 12:13:48 -1127.869438 24.818744 BFGS: 203 12:13:50 -1134.435403 25.057979 BFGS: 204 12:13:51 -1141.520766 25.292966 BFGS: 205 12:13:53 -1149.064621 25.510474 BFGS: 206 12:13:54 -1156.880625 25.675335 BFGS: 207 12:13:56 -1164.557956 25.727926 BFGS: 208 12:13:57 -1171.139138 25.668638 BFGS: 209 12:13:59 -1176.312414 25.532761 BFGS: 210 12:14:00 -1180.416269 25.399150 BFGS: 211 12:14:01 -1183.872043 25.259249 BFGS: 212 12:14:03 -1186.867132 25.133971 BFGS: 213 12:14:04 -1189.553650 25.014642 BFGS: 214 12:14:06 -1191.956755 24.923102 BFGS: 215 12:14:07 -1194.175304 24.823619 BFGS: 216 12:14:09 -1196.159491 24.773548 BFGS: 217 12:14:10 -1198.055906 24.682722 BFGS: 218 12:14:12 -1199.733019 24.674436 BFGS: 219 12:14:13 -1201.363025 24.602930 BFGS: 220 12:14:15 -1202.836732 24.602632 BFGS: 221 12:14:16 -1204.235781 24.574273 BFGS: 222 12:14:18 -1205.534980 24.571080 BFGS: 223 12:14:19 -1206.762415 24.567017 BFGS: 224 12:14:21 -1207.916797 24.576247 BFGS: 225 12:14:22 -1209.010373 24.587828 BFGS: 226 12:14:24 -1210.048148 24.607198 BFGS: 227 12:14:26 -1211.038113 24.629991 BFGS: 228 12:14:27 -1211.984505 24.657965 BFGS: 229 12:14:28 -1212.893767 24.689533 BFGS: 230 12:14:30 -1213.767666 24.723494 BFGS: 231 12:14:32 -1214.610859 24.871358 BFGS: 232 12:14:33 -1215.428364 25.118666 BFGS: 233 12:14:35 -1216.223832 25.354504 BFGS: 234 12:14:36 -1216.999861 25.571890 BFGS: 235 12:14:38 -1217.759378 25.782246 BFGS: 236 12:14:39 -1218.503849 25.977537 BFGS: 237 12:14:41 -1219.236268 26.169477 BFGS: 238 12:14:42 -1219.957831 26.350923 BFGS: 239 12:14:44 -1220.670474 26.524397 BFGS: 240 12:14:45 -1221.374666 26.693751 BFGS: 241 12:14:47 -1222.070821 26.856012 BFGS: 242 12:14:48 -1222.761752 27.013719 BFGS: 243 12:14:49 -1223.446912 27.164987 BFGS: 244 12:14:51 -1224.127921 27.314012 BFGS: 245 12:14:53 -1224.807162 27.459159 BFGS: 246 12:14:54 -1225.485004 27.600804 BFGS: 247 12:14:55 -1226.160787 27.739273 BFGS: 248 12:14:57 -1226.835658 27.876511 BFGS: 249 12:14:59 -1227.509491 28.010345 BFGS: 250 12:15:00 -1228.182470 28.143808 BFGS: 251 12:15:02 -1228.854503 28.274686 BFGS: 252 12:15:04 -1229.525901 28.406117 BFGS: 253 12:15:05 -1230.196946 28.532777 BFGS: 254 12:15:07 -1230.868263 28.662547 BFGS: 255 12:15:09 -1231.539356 28.788848 BFGS: 256 12:15:10 -1232.214270 28.922250 BFGS: 257 12:15:12 -1232.891933 29.049353 BFGS: 258 12:15:13 -1233.569509 29.179661 BFGS: 259 12:15:15 -1234.246578 29.303494 BFGS: 260 12:15:16 -1234.924209 29.434755 BFGS: 261 12:15:18 -1235.604400 29.561168 BFGS: 262 12:15:19 -1236.284756 29.720541 BFGS: 263 12:15:21 -1236.964280 29.792296 BFGS: 264 12:15:22 -1237.645236 29.893246 BFGS: 265 12:15:24 -1238.328733 30.012705 BFGS: 266 12:15:25 -1239.012880 30.144118 BFGS: 267 12:15:26 -1239.697590 30.281670 BFGS: 268 12:15:28 -1240.383239 30.422242 BFGS: 269 12:15:30 -1241.074142 30.566196 BFGS: 270 12:15:31 -1241.767301 30.709744 BFGS: 271 12:15:33 -1242.463719 30.856417 BFGS: 272 12:15:34 -1243.165472 30.996600 BFGS: 273 12:15:36 -1243.872736 31.137783 BFGS: 274 12:15:38 -1244.586658 31.278531 BFGS: 275 12:15:39 -1245.308554 31.418413 BFGS: 276 12:15:41 -1246.041642 31.556503 BFGS: 277 12:15:43 -1246.789161 31.693110 BFGS: 278 12:15:44 -1247.548643 31.828175 BFGS: 279 12:15:46 -1248.321897 31.961347 BFGS: 280 12:15:47 -1249.113952 32.092525 BFGS: 281 12:15:48 -1249.922190 32.221112 BFGS: 282 12:15:50 -1250.748052 32.346993 BFGS: 283 12:15:51 -1251.592986 32.470091 BFGS: 284 12:15:53 -1252.458408 32.590190 BFGS: 285 12:15:54 -1253.345728 32.707076 BFGS: 286 12:15:56 -1254.256340 32.820531 BFGS: 287 12:15:58 -1255.191631 32.930334 BFGS: 288 12:15:59 -1256.152976 33.036262 BFGS: 289 12:16:01 -1257.141742 33.138084 BFGS: 290 12:16:03 -1258.159284 33.235562 BFGS: 291 12:16:04 -1259.206947 33.328449 BFGS: 292 12:16:06 -1260.286065 33.416486 BFGS: 293 12:16:07 -1261.397959 33.499406 BFGS: 294 12:16:09 -1262.544334 33.583894 BFGS: 295 12:16:10 -1263.730026 33.656001 BFGS: 296 12:16:12 -1264.955519 33.721990 BFGS: 297 12:16:13 -1266.221474 33.783488 BFGS: 298 12:16:15 -1267.529067 33.833852 BFGS: 299 12:16:17 -1268.877147 33.877904 BFGS: 300 12:16:18 -1270.266751 33.918060 BFGS: 301 12:16:20 -1271.700073 33.947594 BFGS: 302 12:16:21 -1273.177376 33.968480 BFGS: 303 12:16:23 -1274.702755 33.980496 BFGS: 304 12:16:25 -1276.274200 33.983708 BFGS: 305 12:16:26 -1277.892990 33.977875 BFGS: 306 12:16:28 -1279.563337 33.972232 BFGS: 307 12:16:29 -1281.294525 33.944059 BFGS: 308 12:16:31 -1283.074474 33.906754 BFGS: 309 12:16:33 -1284.905222 33.860109 BFGS: 310 12:16:34 -1286.786793 33.803137 BFGS: 311 12:16:36 -1288.720482 33.733244 BFGS: 312 12:16:38 -1290.708448 33.654626 BFGS: 313 12:16:40 -1292.749664 33.565477 BFGS: 314 12:16:41 -1294.844104 33.465600 BFGS: 315 12:16:43 -1296.992527 33.355114 BFGS: 316 12:16:44 -1299.195354 33.234038 BFGS: 317 12:16:46 -1301.453192 33.102492 BFGS: 318 12:16:47 -1303.766300 32.960570 BFGS: 319 12:16:49 -1306.132928 32.808366 BFGS: 320 12:16:51 -1308.543597 32.647581 BFGS: 321 12:16:52 -1311.008272 32.471213 BFGS: 322 12:16:54 -1313.535072 32.279122 BFGS: 323 12:16:55 -1316.135948 32.077857 BFGS: 324 12:16:57 -1318.809032 31.859564 BFGS: 325 12:16:58 -1321.565053 31.627869 BFGS: 326 12:17:00 -1324.402620 31.380885 BFGS: 327 12:17:02 -1327.335621 31.115803 BFGS: 328 12:17:03 -1330.372959 30.829413 BFGS: 329 12:17:05 -1333.525412 30.518570 BFGS: 330 12:17:07 -1336.809985 30.175516 BFGS: 331 12:17:09 -1339.985820 29.837643 BFGS: 332 12:17:10 -1342.959743 29.502091 BFGS: 333 12:17:12 -1345.752038 29.175652 BFGS: 334 12:17:14 -1348.398647 28.850726 BFGS: 335 12:17:16 -1350.887263 28.536709 BFGS: 336 12:17:17 -1353.229897 28.229486 BFGS: 337 12:17:19 -1355.449284 27.932655 BFGS: 338 12:17:20 -1357.552264 27.641618 BFGS: 339 12:17:22 -1359.548508 27.357672 BFGS: 340 12:17:23 -1361.445317 27.081155 BFGS: 341 12:17:25 -1363.249687 26.812666 BFGS: 342 12:17:26 -1364.968198 26.561048 BFGS: 343 12:17:28 -1366.606742 26.308083 BFGS: 344 12:17:30 -1368.171267 26.073207 BFGS: 345 12:17:31 -1369.658701 25.840786 BFGS: 346 12:17:33 -1371.087895 25.623665 BFGS: 347 12:17:35 -1372.455650 25.411865 BFGS: 348 12:17:37 -1373.768478 25.209174 BFGS: 349 12:17:38 -1375.032382 25.015022 BFGS: 350 12:17:40 -1376.250339 24.829642 BFGS: 351 12:17:41 -1377.426837 24.651447 BFGS: 352 12:17:43 -1378.564057 24.480766 BFGS: 353 12:17:45 -1379.665240 24.317177 BFGS: 354 12:17:47 -1380.733028 24.160337 BFGS: 355 12:17:48 -1381.769957 24.006424 BFGS: 356 12:17:50 -1382.776861 23.864598 BFGS: 357 12:17:51 -1383.758613 23.719781 BFGS: 358 12:17:53 -1384.713003 23.591000 BFGS: 359 12:17:55 -1385.647240 23.464023 BFGS: 360 12:17:56 -1386.559155 23.341435 BFGS: 361 12:17:58 -1387.451787 23.223283 BFGS: 362 12:18:00 -1388.326550 23.109862 BFGS: 363 12:18:01 -1389.181123 23.002856 BFGS: 364 12:18:03 -1390.022651 22.897100 BFGS: 365 12:18:05 -1390.847792 22.795616 BFGS: 366 12:18:07 -1391.659638 22.698574 BFGS: 367 12:18:08 -1392.458086 22.600707 BFGS: 368 12:18:10 -1393.243237 22.509106 BFGS: 369 12:18:12 -1394.017173 22.417237 BFGS: 370 12:18:13 -1394.779861 22.330135 BFGS: 371 12:18:15 -1395.531630 22.245110 BFGS: 372 12:18:17 -1396.273723 22.162741 BFGS: 373 12:18:18 -1397.005690 22.081121 BFGS: 374 12:18:20 -1397.729301 22.002468 BFGS: 375 12:18:22 -1398.443855 21.924231 BFGS: 376 12:18:23 -1399.150695 21.849204 BFGS: 377 12:18:25 -1399.849395 21.773031 BFGS: 378 12:18:26 -1400.539755 21.703283 BFGS: 379 12:18:28 -1401.223759 21.631762 BFGS: 380 12:18:30 -1401.900670 21.564327 BFGS: 381 12:18:31 -1402.571498 21.495356 BFGS: 382 12:18:33 -1403.236069 21.430343 BFGS: 383 12:18:35 -1403.894581 21.361071 BFGS: 384 12:18:37 -1404.546589 21.298860 BFGS: 385 12:18:39 -1405.194464 21.231163 BFGS: 386 12:18:40 -1405.835627 21.177899 BFGS: 387 12:18:42 -1406.473480 21.118011 BFGS: 388 12:18:43 -1407.105845 21.063410 BFGS: 389 12:18:45 -1407.734810 21.003933 BFGS: 390 12:18:47 -1408.358927 20.949782 BFGS: 391 12:18:48 -1408.978875 20.893353 BFGS: 392 12:18:50 -1409.595594 20.839124 BFGS: 393 12:18:51 -1410.208065 20.782561 BFGS: 394 12:18:53 -1410.816661 20.729418 BFGS: 395 12:18:54 -1411.421089 20.674625 BFGS: 396 12:18:56 -1412.023008 20.621898 BFGS: 397 12:18:57 -1412.620854 20.568600 BFGS: 398 12:18:59 -1413.216211 20.516620 BFGS: 399 12:19:01 -1413.808225 20.462302 BFGS: 400 12:19:02 -1414.397451 20.410092 BFGS: 401 12:19:04 -1414.983587 20.356245 BFGS: 402 12:19:06 -1415.567040 20.304110 BFGS: 403 12:19:08 -1416.147645 20.250575 BFGS: 404 12:19:09 -1416.725976 20.198406 BFGS: 405 12:19:11 -1417.301246 20.147762 BFGS: 406 12:19:12 -1417.874462 20.095672 BFGS: 407 12:19:14 -1418.444551 20.044246 BFGS: 408 12:19:16 -1419.013153 19.990589 BFGS: 409 12:19:17 -1419.578520 19.938830 BFGS: 410 12:19:19 -1420.142829 19.883867 BFGS: 411 12:19:21 -1420.703625 19.831998 BFGS: 412 12:19:22 -1421.263956 19.775295 BFGS: 413 12:19:24 -1421.820281 19.723494 BFGS: 414 12:19:26 -1422.376970 19.664416 BFGS: 415 12:19:27 -1422.928886 19.612921 BFGS: 416 12:19:29 -1423.482256 19.550786 BFGS: 417 12:19:31 -1424.029913 19.499578 BFGS: 418 12:19:33 -1424.580079 19.434280 BFGS: 419 12:19:34 -1425.123994 19.382183 BFGS: 420 12:19:36 -1425.670932 19.315089 BFGS: 421 12:19:38 -1426.212184 19.257024 BFGS: 422 12:19:39 -1426.754972 19.190091 BFGS: 423 12:19:41 -1427.295683 19.124313 BFGS: 424 12:19:43 -1427.834966 19.056340 BFGS: 425 12:19:44 -1428.373450 18.987615 BFGS: 426 12:19:46 -1428.889093 18.969626 BFGS: 427 12:19:47 -1429.406440 18.943725 BFGS: 428 12:19:49 -1429.925713 18.910165 BFGS: 429 12:19:51 -1430.446048 18.869130 BFGS: 430 12:19:52 -1430.967054 18.818347 BFGS: 431 12:19:54 -1431.489548 18.760008 BFGS: 432 12:19:55 -1432.016015 18.690752 BFGS: 433 12:19:57 -1432.545065 18.613185 BFGS: 434 12:19:59 -1433.077169 18.527328 BFGS: 435 12:20:00 -1433.612805 18.433184 BFGS: 436 12:20:02 -1434.152435 18.333586 BFGS: 437 12:20:04 -1434.696995 18.223605 BFGS: 438 12:20:05 -1435.245727 18.194243 BFGS: 439 12:20:07 -1435.799186 18.215072 BFGS: 440 12:20:08 -1436.357533 18.238698 BFGS: 441 12:20:10 -1436.921465 18.275650 BFGS: 442 12:20:11 -1437.492652 18.305086 BFGS: 443 12:20:13 -1438.069675 18.344273 BFGS: 444 12:20:14 -1438.654809 18.390794 BFGS: 445 12:20:16 -1439.246041 18.424315 BFGS: 446 12:20:18 -1439.844556 18.461927 BFGS: 447 12:20:20 -1440.447854 18.504318 BFGS: 448 12:20:21 -1441.059347 18.550173 BFGS: 449 12:20:23 -1441.676673 18.600360 BFGS: 450 12:20:24 -1442.302937 18.659411 BFGS: 451 12:20:26 -1442.935936 18.716747 BFGS: 452 12:20:27 -1443.579476 18.785404 BFGS: 453 12:20:29 -1444.230243 18.849571 BFGS: 454 12:20:30 -1444.892019 18.917458 BFGS: 455 12:20:32 -1445.560787 18.990529 BFGS: 456 12:20:34 -1446.241686 19.076173 BFGS: 457 12:20:35 -1446.931723 19.156698 BFGS: 458 12:20:37 -1447.633467 19.246037 BFGS: 459 12:20:39 -1448.346273 19.336337 BFGS: 460 12:20:40 -1449.070473 19.431179 BFGS: 461 12:20:42 -1449.805781 19.538486 BFGS: 462 12:20:44 -1450.552548 19.641850 BFGS: 463 12:20:45 -1451.312165 19.750090 BFGS: 464 12:20:47 -1452.084343 19.869029 BFGS: 465 12:20:49 -1452.871243 19.994338 BFGS: 466 12:20:51 -1453.671503 20.124293 BFGS: 467 12:20:52 -1454.485161 20.254863 BFGS: 468 12:20:54 -1455.313873 20.385818 BFGS: 469 12:20:56 -1456.157879 20.521762 BFGS: 470 12:20:57 -1457.017129 20.662667 BFGS: 471 12:20:59 -1457.892408 20.807822 BFGS: 472 12:21:01 -1458.784045 20.957445 BFGS: 473 12:21:02 -1459.691331 21.111532 BFGS: 474 12:21:04 -1460.616456 21.269283 BFGS: 475 12:21:05 -1461.557995 21.430851 BFGS: 476 12:21:07 -1462.517732 21.595535 BFGS: 477 12:21:09 -1463.494490 21.763333 BFGS: 478 12:21:10 -1464.489752 21.947052 BFGS: 479 12:21:12 -1465.501705 22.117250 BFGS: 480 12:21:14 -1466.533345 22.299378 BFGS: 481 12:21:16 -1467.580710 22.468042 BFGS: 482 12:21:18 -1468.650524 22.644887 BFGS: 483 12:21:19 -1469.735344 22.821567 BFGS: 484 12:21:21 -1470.840082 22.998450 BFGS: 485 12:21:23 -1471.959055 23.174625 BFGS: 486 12:21:24 -1473.096752 23.358771 BFGS: 487 12:21:26 -1474.247361 23.529527 BFGS: 488 12:21:28 -1475.414695 23.697993 BFGS: 489 12:21:29 -1476.595118 23.873391 BFGS: 490 12:21:31 -1477.789616 24.033314 BFGS: 491 12:21:32 -1478.996622 24.190080 BFGS: 492 12:21:34 -1480.215446 24.350430 BFGS: 493 12:21:36 -1481.445296 24.503858 BFGS: 494 12:21:37 -1482.682836 24.642766 BFGS: 495 12:21:39 -1483.929595 24.782458 BFGS: 496 12:21:41 -1485.184340 24.909195 BFGS: 497 12:21:42 -1486.445307 25.027942 BFGS: 498 12:21:44 -1487.712007 25.141204 BFGS: 499 12:21:45 -1488.982528 25.246398 BFGS: 500 12:21:47 -1490.254913 25.343056 BFGS: 501 12:21:49 -1491.528420 25.431107 BFGS: 502 12:21:50 -1492.801908 25.510476 BFGS: 503 12:21:52 -1494.074887 25.588726 BFGS: 504 12:21:54 -1495.346560 25.650192 BFGS: 505 12:21:55 -1496.614922 25.710708 BFGS: 506 12:21:57 -1497.880397 25.755082 BFGS: 507 12:21:59 -1499.141650 25.789445 BFGS: 508 12:22:00 -1500.398819 25.815814 BFGS: 509 12:22:02 -1501.650190 25.841357 BFGS: 510 12:22:04 -1502.895410 25.865195 BFGS: 511 12:22:05 -1504.133187 25.865168 BFGS: 512 12:22:07 -1505.362878 25.863820 BFGS: 513 12:22:09 -1506.582700 25.846692 BFGS: 514 12:22:10 -1507.797048 25.823379 BFGS: 515 12:22:12 -1509.005794 25.793172 BFGS: 516 12:22:14 -1510.209139 25.756001 BFGS: 517 12:22:15 -1511.407504 25.710935 BFGS: 518 12:22:17 -1512.603104 25.668524 BFGS: 519 12:22:19 -1513.793396 25.611121 BFGS: 520 12:22:20 -1514.979421 25.547281 BFGS: 521 12:22:22 -1516.161292 25.476950 BFGS: 522 12:22:23 -1517.339427 25.400226 BFGS: 523 12:22:25 -1518.514302 25.323786 BFGS: 524 12:22:27 -1519.684167 25.234125 BFGS: 525 12:22:28 -1520.853132 25.138646 BFGS: 526 12:22:30 -1522.018611 25.037314 BFGS: 527 12:22:31 -1523.182586 24.930145 BFGS: 528 12:22:33 -1524.344220 24.817234 BFGS: 529 12:22:35 -1525.504440 24.698633 BFGS: 530 12:22:36 -1526.663045 24.574417 BFGS: 531 12:22:38 -1527.820525 24.444640 BFGS: 532 12:22:40 -1528.976918 24.309362 BFGS: 533 12:22:41 -1530.132525 24.168630 BFGS: 534 12:22:43 -1531.287460 24.160569 BFGS: 535 12:22:44 -1532.441937 24.216945 BFGS: 536 12:22:46 -1533.596084 24.271416 BFGS: 537 12:22:47 -1534.750063 24.324064 BFGS: 538 12:22:49 -1535.903995 24.374960 BFGS: 539 12:22:51 -1537.058218 24.428224 BFGS: 540 12:22:53 -1538.212790 24.464715 BFGS: 541 12:22:54 -1539.367099 24.511370 BFGS: 542 12:22:56 -1540.522877 24.556666 BFGS: 543 12:22:58 -1541.678377 24.600596 BFGS: 544 12:22:59 -1542.833732 24.642312 BFGS: 545 12:23:01 -1543.990157 24.682848 BFGS: 546 12:23:03 -1545.146893 24.721982 BFGS: 547 12:23:04 -1546.304401 24.759878 BFGS: 548 12:23:06 -1547.462540 24.788404 BFGS: 549 12:23:08 -1548.620773 24.823843 BFGS: 550 12:23:09 -1549.780636 24.858138 BFGS: 551 12:23:11 -1550.940343 24.890993 BFGS: 552 12:23:13 -1552.101138 24.922828 BFGS: 553 12:23:14 -1553.262096 24.953416 BFGS: 554 12:23:16 -1554.423752 24.982940 BFGS: 555 12:23:18 -1555.585972 25.011769 BFGS: 556 12:23:19 -1556.747655 25.038070 BFGS: 557 12:23:21 -1557.909964 25.063465 BFGS: 558 12:23:23 -1559.072294 25.077064 BFGS: 559 12:23:25 -1560.235305 25.100522 BFGS: 560 12:23:26 -1561.395084 25.120688 BFGS: 561 12:23:28 -1562.557562 25.141054 BFGS: 562 12:23:30 -1563.718373 25.159784 BFGS: 563 12:23:32 -1564.879901 25.177636 BFGS: 564 12:23:33 -1566.040229 25.194004 BFGS: 565 12:23:35 -1567.200434 25.209196 BFGS: 566 12:23:37 -1568.359436 25.222870 BFGS: 567 12:23:39 -1569.517704 25.235147 BFGS: 568 12:23:40 -1570.674573 25.250419 BFGS: 569 12:23:42 -1571.828401 25.257700 BFGS: 570 12:23:44 -1572.982459 25.264829 BFGS: 571 12:23:46 -1574.133979 25.269809 BFGS: 572 12:23:48 -1575.283875 25.273053 BFGS: 573 12:23:50 -1576.431205 25.274185 BFGS: 574 12:23:51 -1577.576769 25.291345 BFGS: 575 12:23:53 -1578.717038 25.288572 BFGS: 576 12:23:55 -1579.854588 25.280324 BFGS: 577 12:23:57 -1580.989104 25.269991 BFGS: 578 12:23:59 -1582.120746 25.253585 BFGS: 579 12:24:01 -1583.249824 25.239456 BFGS: 580 12:24:03 -1584.374863 25.222657 BFGS: 581 12:24:05 -1585.496149 25.208699 BFGS: 582 12:24:07 -1586.612787 25.184799 BFGS: 583 12:24:08 -1587.723975 25.157420 BFGS: 584 12:24:10 -1588.829980 25.126267 BFGS: 585 12:24:12 -1589.929913 25.090979 BFGS: 586 12:24:14 -1591.023896 25.051406 BFGS: 587 12:24:16 -1592.111196 25.016498 BFGS: 588 12:24:17 -1593.190417 24.965689 BFGS: 589 12:24:19 -1594.263040 24.911073 BFGS: 590 12:24:21 -1595.327876 24.850760 BFGS: 591 12:24:23 -1596.384802 24.784840 BFGS: 592 12:24:25 -1597.433415 24.710180 BFGS: 593 12:24:27 -1598.473457 24.631584 BFGS: 594 12:24:28 -1599.504959 24.546820 BFGS: 595 12:24:30 -1600.526346 24.461878 BFGS: 596 12:24:32 -1601.536722 24.361306 BFGS: 597 12:24:34 -1602.538878 24.251206 BFGS: 598 12:24:36 -1603.529680 24.134510 BFGS: 599 12:24:38 -1604.510188 24.006586 BFGS: 600 12:24:40 -1605.479002 23.882571 BFGS: 601 12:24:42 -1606.437258 23.736459 BFGS: 602 12:24:43 -1607.381146 23.580114 BFGS: 603 12:24:45 -1608.317202 23.429345 BFGS: 604 12:24:47 -1609.236515 23.247070 BFGS: 605 12:24:49 -1610.149070 23.057188 BFGS: 606 12:24:51 -1611.043867 22.854698 BFGS: 607 12:24:52 -1611.929920 22.643799 BFGS: 608 12:24:54 -1612.791307 22.417872 BFGS: 609 12:24:56 -1613.612792 22.187436 BFGS: 610 12:24:58 -1614.411542 21.946358 BFGS: 611 12:25:00 -1615.173491 21.701682 BFGS: 612 12:25:02 -1615.916810 21.463562 BFGS: 613 12:25:04 -1616.630689 21.208147 BFGS: 614 12:25:06 -1617.323410 20.943823 BFGS: 615 12:25:08 -1617.987607 20.675976 BFGS: 616 12:25:10 -1618.637091 20.401557 BFGS: 617 12:25:12 -1619.257849 20.128636 BFGS: 618 12:25:14 -1619.868699 19.850036 BFGS: 619 12:25:16 -1620.451435 19.579178 BFGS: 620 12:25:17 -1621.028576 19.303021 BFGS: 621 12:25:19 -1621.579804 19.030432 BFGS: 622 12:25:21 -1622.128294 18.752179 BFGS: 623 12:25:23 -1622.649353 18.487653 BFGS: 624 12:25:25 -1623.173278 18.224235 BFGS: 625 12:25:27 -1623.669037 17.969582 BFGS: 626 12:25:29 -1624.168351 17.710145 BFGS: 627 12:25:30 -1624.643692 17.467892 BFGS: 628 12:25:32 -1625.122679 17.229710 BFGS: 629 12:25:34 -1625.580581 17.010799 BFGS: 630 12:25:36 -1626.043283 16.780723 BFGS: 631 12:25:38 -1626.484519 16.575625 BFGS: 632 12:25:40 -1626.929166 16.383874 BFGS: 633 12:25:42 -1627.359423 16.195615 BFGS: 634 12:25:43 -1627.788994 16.015803 BFGS: 635 12:25:45 -1628.205889 15.854563 BFGS: 636 12:25:47 -1628.622999 15.700685 BFGS: 637 12:25:49 -1629.029135 15.563939 BFGS: 638 12:25:51 -1629.434972 15.435222 BFGS: 639 12:25:53 -1629.832226 15.321830 BFGS: 640 12:25:55 -1630.228354 15.216862 BFGS: 641 12:25:57 -1630.615593 15.130773 BFGS: 642 12:25:59 -1631.002828 15.064617 BFGS: 643 12:26:00 -1631.382450 15.001973 BFGS: 644 12:26:02 -1631.761370 14.957001 BFGS: 645 12:26:04 -1632.133269 14.918529 BFGS: 646 12:26:06 -1632.503942 14.887865 BFGS: 647 12:26:08 -1632.869228 14.880292 BFGS: 648 12:26:10 -1633.232662 14.869843 BFGS: 649 12:26:12 -1633.590557 14.872975 BFGS: 650 12:26:13 -1633.946070 14.885062 BFGS: 651 12:26:15 -1634.297256 14.918764 BFGS: 652 12:26:17 -1634.645390 14.949794 BFGS: 653 12:26:19 -1634.988747 14.991940 BFGS: 654 12:26:21 -1635.329290 15.042689 BFGS: 655 12:26:23 -1635.665595 15.103003 BFGS: 656 12:26:25 -1635.999077 15.182171 BFGS: 657 12:26:27 -1636.328604 15.257566 BFGS: 658 12:26:28 -1636.653251 15.353806 BFGS: 659 12:26:30 -1636.975009 15.448386 BFGS: 660 12:26:32 -1637.291858 15.549979 BFGS: 661 12:26:34 -1637.605724 15.657097 BFGS: 662 12:26:36 -1637.916305 15.771305 BFGS: 663 12:26:38 -1638.221863 15.893049 BFGS: 664 12:26:40 -1638.525167 16.027961 BFGS: 665 12:26:41 -1638.823263 16.159056 BFGS: 666 12:26:43 -1639.119738 16.294905 BFGS: 667 12:26:46 -1639.410677 16.436632 BFGS: 668 12:26:47 -1639.699111 16.583108 BFGS: 669 12:26:49 -1639.983292 16.731990 BFGS: 670 12:26:51 -1640.264725 16.886011 BFGS: 671 12:26:54 -1640.542167 17.043210 BFGS: 672 12:26:56 -1640.816757 17.211173 BFGS: 673 12:26:57 -1641.085651 17.377442 BFGS: 674 12:26:59 -1641.353213 17.543116 BFGS: 675 12:27:01 -1641.617075 17.711825 BFGS: 676 12:27:03 -1641.878087 17.883943 BFGS: 677 12:27:05 -1642.135254 18.058193 BFGS: 678 12:27:07 -1642.389826 18.234157 BFGS: 679 12:27:09 -1642.641122 18.411480 BFGS: 680 12:27:11 -1642.889668 18.590109 BFGS: 681 12:27:13 -1643.135258 18.769630 BFGS: 682 12:27:15 -1643.378154 18.949947 BFGS: 683 12:27:17 -1643.618541 19.187017 BFGS: 684 12:27:19 -1643.855050 19.360761 BFGS: 685 12:27:21 -1644.087916 19.540682 BFGS: 686 12:27:22 -1644.319491 19.718480 BFGS: 687 12:27:24 -1644.548713 19.896926 BFGS: 688 12:27:26 -1644.776237 20.074789 BFGS: 689 12:27:28 -1645.002041 20.252180 BFGS: 690 12:27:30 -1645.225530 20.440022 BFGS: 691 12:27:33 -1645.447502 20.614051 BFGS: 692 12:27:34 -1645.668084 20.788669 BFGS: 693 12:27:36 -1645.887510 20.961708 BFGS: 694 12:27:38 -1646.105903 21.133861 BFGS: 695 12:27:40 -1646.323808 21.303799 BFGS: 696 12:27:42 -1646.539465 21.475524 BFGS: 697 12:27:44 -1646.755325 21.653742 BFGS: 698 12:27:45 -1646.970266 21.818171 BFGS: 699 12:27:47 -1647.185187 21.982933 BFGS: 700 12:27:49 -1647.399466 22.145557 BFGS: 701 12:27:51 -1647.614086 22.306779 BFGS: 702 12:27:53 -1647.828013 22.467697 BFGS: 703 12:27:54 -1648.043940 22.626500 BFGS: 704 12:27:56 -1648.256417 22.794432 BFGS: 705 12:27:58 -1648.469278 22.949961 BFGS: 706 12:27:59 -1648.684336 23.110811 BFGS: 707 12:28:01 -1648.899459 23.260520 BFGS: 708 12:28:02 -1649.116400 23.407803 BFGS: 709 12:28:04 -1649.334982 23.552467 BFGS: 710 12:28:06 -1649.554703 23.696275 BFGS: 711 12:28:08 -1649.776538 23.837405 BFGS: 712 12:28:10 -1650.000373 23.976624 BFGS: 713 12:28:12 -1650.226600 24.118599 BFGS: 714 12:28:13 -1650.454497 24.254205 BFGS: 715 12:28:15 -1650.684844 24.387242 BFGS: 716 12:28:17 -1650.917912 24.525204 BFGS: 717 12:28:19 -1651.153728 24.649975 BFGS: 718 12:28:21 -1651.391586 24.773568 BFGS: 719 12:28:23 -1651.631961 24.907064 BFGS: 720 12:28:25 -1651.874608 25.031924 BFGS: 721 12:28:27 -1652.121217 25.174952 BFGS: 722 12:28:29 -1652.366762 25.292354 BFGS: 723 12:28:30 -1652.615909 25.408913 BFGS: 724 12:28:32 -1652.868716 25.523408 BFGS: 725 12:28:34 -1653.125715 25.658109 BFGS: 726 12:28:36 -1653.385486 25.760914 BFGS: 727 12:28:38 -1653.644596 25.871574 BFGS: 728 12:28:40 -1653.908738 25.985504 BFGS: 729 12:28:42 -1654.175573 26.091003 BFGS: 730 12:28:44 -1654.444980 26.193979 BFGS: 731 12:28:46 -1654.719715 26.295620 BFGS: 732 12:28:48 -1654.998421 26.394144 BFGS: 733 12:28:49 -1655.281787 26.491715 BFGS: 734 12:28:51 -1655.569391 26.587088 BFGS: 735 12:28:53 -1655.861449 26.680985 BFGS: 736 12:28:55 -1656.157820 26.773007 BFGS: 737 12:28:57 -1656.458818 26.872407 BFGS: 738 12:28:59 -1656.763359 26.960234 BFGS: 739 12:29:00 -1657.072377 27.054884 BFGS: 740 12:29:02 -1657.384245 27.141358 BFGS: 741 12:29:04 -1657.698980 27.231014 BFGS: 742 12:29:06 -1658.015221 27.314482 BFGS: 743 12:29:08 -1658.335477 27.407176 BFGS: 744 12:29:10 -1658.660156 27.489789 BFGS: 745 12:29:12 -1658.983402 27.569342 BFGS: 746 12:29:14 -1659.314575 27.644736 BFGS: 747 12:29:15 -1659.649548 27.716157 BFGS: 748 12:29:17 -1659.991508 27.788974 BFGS: 749 12:29:19 -1660.336971 27.856882 BFGS: 750 12:29:21 -1660.689526 27.926530 BFGS: 751 12:29:23 -1661.045180 27.991096 BFGS: 752 12:29:24 -1661.408222 28.066163 BFGS: 753 12:29:26 -1661.771976 28.126623 BFGS: 754 12:29:28 -1662.143246 28.189452 BFGS: 755 12:29:30 -1662.518073 28.246904 BFGS: 756 12:29:32 -1662.897292 28.316584 BFGS: 757 12:29:33 -1663.279056 28.373105 BFGS: 758 12:29:35 -1663.668645 28.436167 BFGS: 759 12:29:37 -1664.061114 28.488644 BFGS: 760 12:29:39 -1664.460983 28.539640 BFGS: 761 12:29:40 -1664.865901 28.588006 BFGS: 762 12:29:42 -1665.278284 28.635236 BFGS: 763 12:29:44 -1665.695953 28.679833 BFGS: 764 12:29:46 -1666.121279 28.723077 BFGS: 765 12:29:47 -1666.552120 28.763727 BFGS: 766 12:29:49 -1666.991339 28.813946 BFGS: 767 12:29:51 -1667.433478 28.848682 BFGS: 768 12:29:53 -1667.884012 28.883794 BFGS: 769 12:29:55 -1668.340693 28.916022 BFGS: 770 12:29:56 -1668.806718 28.946186 BFGS: 771 12:29:59 -1669.279035 28.973880 BFGS: 772 12:30:00 -1669.761740 29.018988 BFGS: 773 12:30:02 -1670.244128 29.042965 BFGS: 774 12:30:04 -1670.738792 29.061692 BFGS: 775 12:30:06 -1671.241175 29.080414 BFGS: 776 12:30:08 -1671.755315 29.100799 BFGS: 777 12:30:10 -1672.275307 29.113385 BFGS: 778 12:30:12 -1672.808042 29.141406 BFGS: 779 12:30:14 -1673.344191 29.146246 BFGS: 780 12:30:16 -1673.893962 29.149151 BFGS: 781 12:30:17 -1674.456399 29.155890 BFGS: 782 12:30:19 -1675.031415 29.152039 BFGS: 783 12:30:21 -1675.619398 29.144440 BFGS: 784 12:30:23 -1676.222456 29.133250 BFGS: 785 12:30:24 -1676.839527 29.118279 BFGS: 786 12:30:26 -1677.472609 29.099304 BFGS: 787 12:30:28 -1678.120616 29.076346 BFGS: 788 12:30:30 -1678.785817 29.049007 BFGS: 789 12:30:32 -1679.466832 29.017461 BFGS: 790 12:30:33 -1680.166326 28.981129 BFGS: 791 12:30:35 -1680.882997 28.957685 BFGS: 792 12:30:37 -1681.611199 28.906286 BFGS: 793 12:30:39 -1682.358116 28.860283 BFGS: 794 12:30:41 -1683.121854 28.806327 BFGS: 795 12:30:43 -1683.906813 28.744612 BFGS: 796 12:30:44 -1684.715174 28.680652 BFGS: 797 12:30:46 -1685.542160 28.609531 BFGS: 798 12:30:47 -1686.390569 28.535030 BFGS: 799 12:30:49 -1687.259550 28.446883 BFGS: 800 12:30:51 -1688.152091 28.366907 BFGS: 801 12:30:52 -1689.047767 28.271469 BFGS: 802 12:30:54 -1689.972894 28.167845 BFGS: 803 12:30:56 -1690.917789 28.068677 BFGS: 804 12:30:58 -1691.881509 27.950034 BFGS: 805 12:30:59 -1692.863476 27.827173 BFGS: 806 12:31:01 -1693.867210 27.713350 BFGS: 807 12:31:03 -1694.878243 27.572683 BFGS: 808 12:31:04 -1695.907404 27.429375 BFGS: 809 12:31:06 -1696.951013 27.291855 BFGS: 810 12:31:08 -1698.001281 27.133930 BFGS: 811 12:31:10 -1699.059695 26.968893 BFGS: 812 12:31:11 -1700.129765 26.795743 BFGS: 813 12:31:13 -1701.203775 26.616185 BFGS: 814 12:31:15 -1702.282396 26.435727 BFGS: 815 12:31:17 -1703.359025 26.247432 BFGS: 816 12:31:18 -1704.432202 26.044806 BFGS: 817 12:31:20 -1705.498896 25.836849 BFGS: 818 12:31:22 -1706.561656 25.620020 BFGS: 819 12:31:24 -1707.614632 25.396536 BFGS: 820 12:31:26 -1708.658783 25.164225 BFGS: 821 12:31:28 -1709.690109 24.924661 BFGS: 822 12:31:30 -1710.709538 24.684390 BFGS: 823 12:31:32 -1711.714789 24.423092 BFGS: 824 12:31:34 -1712.701990 24.157678 BFGS: 825 12:31:36 -1713.676122 23.881302 BFGS: 826 12:31:38 -1714.635001 23.594196 BFGS: 827 12:31:39 -1715.571057 23.299301 BFGS: 828 12:31:41 -1716.497554 22.988661 BFGS: 829 12:31:43 -1717.407256 22.668033 BFGS: 830 12:31:44 -1718.304129 22.330616 BFGS: 831 12:31:46 -1719.182355 21.982951 BFGS: 832 12:31:48 -1720.046169 21.618436 BFGS: 833 12:31:50 -1720.892869 21.239551 BFGS: 834 12:31:52 -1721.723778 20.851616 BFGS: 835 12:31:54 -1722.528931 20.439474 BFGS: 836 12:31:55 -1723.325854 20.000151 BFGS: 837 12:31:57 -1724.097371 19.575789 BFGS: 838 12:31:59 -1724.848962 19.101067 BFGS: 839 12:32:01 -1725.582652 18.618741 BFGS: 840 12:32:02 -1726.295681 18.097218 BFGS: 841 12:32:04 -1726.986747 17.562150 BFGS: 842 12:32:06 -1727.658420 16.997898 BFGS: 843 12:32:08 -1728.300754 16.396379 BFGS: 844 12:32:10 -1728.910241 15.778140 BFGS: 845 12:32:12 -1729.489748 15.128959 BFGS: 846 12:32:14 -1730.034994 14.447901 BFGS: 847 12:32:16 -1730.540757 13.743384 BFGS: 848 12:32:18 -1730.999123 13.297249 BFGS: 849 12:32:20 -1731.409800 12.939870 BFGS: 850 12:32:21 -1731.762650 12.579227 BFGS: 851 12:32:23 -1732.057184 12.204894 BFGS: 852 12:32:25 -1732.283700 11.852773 BFGS: 853 12:32:26 -1732.458327 11.514849 BFGS: 854 12:32:28 -1732.592448 11.389322 BFGS: 855 12:32:30 -1732.805382 11.448257 BFGS: 856 12:32:32 -1733.070742 11.913175 BFGS: 857 12:32:33 -1733.264148 12.467128 BFGS: 858 12:32:35 -1733.401418 12.952161 BFGS: 859 12:32:37 -1733.534060 13.243315 BFGS: 860 12:32:39 -1733.698895 13.391450 BFGS: 861 12:32:41 -1733.816247 13.408545 BFGS: 862 12:32:43 -1733.925675 13.360986 BFGS: 863 12:32:45 -1734.022538 13.287397 BFGS: 864 12:32:46 -1734.111473 13.190936 BFGS: 865 12:32:48 -1734.191660 13.086564 BFGS: 866 12:32:50 -1734.267105 12.971444 BFGS: 867 12:32:52 -1734.338125 12.858895 BFGS: 868 12:32:54 -1734.409109 12.741314 BFGS: 869 12:32:56 -1734.480237 12.624308 BFGS: 870 12:32:58 -1734.554077 12.503443 BFGS: 871 12:32:59 -1734.627503 12.387063 BFGS: 872 12:33:01 -1734.704501 12.267648 BFGS: 873 12:33:03 -1734.784159 12.138752 BFGS: 874 12:33:04 -1734.865772 12.016650 BFGS: 875 12:33:06 -1734.949798 11.891963 BFGS: 876 12:33:08 -1735.035651 11.760147 BFGS: 877 12:33:10 -1735.121832 11.634580 BFGS: 878 12:33:12 -1735.209126 11.506039 BFGS: 879 12:33:14 -1735.296039 11.373745 BFGS: 880 12:33:16 -1735.382177 11.244589 BFGS: 881 12:33:18 -1735.467695 11.107961 BFGS: 882 12:33:20 -1735.555733 10.970946 BFGS: 883 12:33:21 -1735.647482 10.827930 BFGS: 884 12:33:24 -1735.744796 10.679241 BFGS: 885 12:33:25 -1735.849738 10.519401 BFGS: 886 12:33:27 -1735.964828 10.355444 BFGS: 887 12:33:29 -1736.088594 10.189716 BFGS: 888 12:33:31 -1736.223701 10.013703 BFGS: 889 12:33:34 -1736.368897 9.837207 BFGS: 890 12:33:35 -1736.526704 9.650673 BFGS: 891 12:33:37 -1736.695722 9.462025 BFGS: 892 12:33:39 -1736.877642 9.266992 BFGS: 893 12:33:41 -1737.072527 9.068553 BFGS: 894 12:33:43 -1737.282726 8.860157 BFGS: 895 12:33:45 -1737.505826 8.651670 BFGS: 896 12:33:47 -1737.744029 8.436422 BFGS: 897 12:33:49 -1737.996765 8.219496 BFGS: 898 12:33:51 -1738.266267 7.989593 BFGS: 899 12:33:53 -1738.551246 7.761175 BFGS: 900 12:33:55 -1738.854671 7.525292 BFGS: 901 12:33:57 -1739.174157 7.285966 BFGS: 902 12:33:59 -1739.510104 7.043505 BFGS: 903 12:34:01 -1739.862329 6.799307 BFGS: 904 12:34:03 -1740.232650 6.549810 BFGS: 905 12:34:05 -1740.622157 6.292546 BFGS: 906 12:34:07 -1741.028431 6.033841 BFGS: 907 12:34:09 -1741.452483 5.770904 BFGS: 908 12:34:11 -1741.894773 5.756145 BFGS: 909 12:34:13 -1742.355452 5.852933 BFGS: 910 12:34:14 -1742.834885 5.949964 BFGS: 911 12:34:16 -1743.332935 6.046842 BFGS: 912 12:34:18 -1743.849749 6.145867 BFGS: 913 12:34:19 -1744.386556 6.266081 BFGS: 914 12:34:21 -1744.942466 6.340397 BFGS: 915 12:34:23 -1745.519445 6.499585 BFGS: 916 12:34:25 -1746.124517 6.533190 BFGS: 917 12:34:27 -1746.733941 6.840340 BFGS: 918 12:34:29 -1747.339016 7.192930 BFGS: 919 12:34:31 -1747.967941 6.824693 BFGS: 920 12:34:33 -1748.607867 6.939257 BFGS: 921 12:34:35 -1749.097207 7.125623 BFGS: 922 12:34:37 -1749.912547 7.309688 BFGS: 923 12:34:39 -1750.728794 7.503146 BFGS: 924 12:34:41 -1751.547114 7.671868 BFGS: 925 12:34:43 -1752.360334 7.838975 BFGS: 926 12:34:45 -1753.164953 7.983456 BFGS: 927 12:34:47 -1753.947777 8.138606 BFGS: 928 12:34:49 -1754.704667 8.261793 BFGS: 929 12:34:50 -1755.406144 8.550234 BFGS: 930 12:34:52 -1756.050759 10.821546 BFGS: 931 12:34:54 -1756.614904 13.218886 BFGS: 932 12:34:56 -1757.127530 15.550421 BFGS: 933 12:34:58 -1757.630228 17.563549 BFGS: 934 12:34:59 -1758.180275 19.449919 BFGS: 935 12:35:01 -1758.775372 21.067499 BFGS: 936 12:35:03 -1759.462798 22.522915 BFGS: 937 12:35:05 -1760.198133 23.813767 BFGS: 938 12:35:06 -1760.972993 24.976330 BFGS: 939 12:35:08 -1761.757784 26.124841 BFGS: 940 12:35:11 -1762.558359 27.081932 BFGS: 941 12:35:13 -1763.399975 27.958823 BFGS: 942 12:35:15 -1764.313472 28.350591 BFGS: 943 12:35:17 -1765.229140 28.793081 BFGS: 944 12:35:19 -1766.155966 29.176804 BFGS: 945 12:35:21 -1767.116511 29.476917 BFGS: 946 12:35:23 -1768.114679 29.652673 BFGS: 947 12:35:24 -1769.167325 29.712878 BFGS: 948 12:35:26 -1770.265631 29.626212 BFGS: 949 12:35:28 -1771.418629 29.428154 BFGS: 950 12:35:30 -1772.623653 29.158279 BFGS: 951 12:35:32 -1773.869201 28.795997 BFGS: 952 12:35:33 -1775.150144 28.374368 BFGS: 953 12:35:35 -1776.459173 27.904780 BFGS: 954 12:35:37 -1777.794980 27.396057 BFGS: 955 12:35:39 -1779.152448 26.902358 BFGS: 956 12:35:41 -1780.525953 27.387967 BFGS: 957 12:35:43 -1781.911312 27.873796 BFGS: 958 12:35:45 -1783.305963 28.364880 BFGS: 959 12:35:46 -1784.705961 28.860281 BFGS: 960 12:35:47 -1786.110256 29.363384 BFGS: 961 12:35:49 -1787.511200 29.865170 BFGS: 962 12:35:52 -1788.918591 30.389241 BFGS: 963 12:35:54 -1790.318652 30.901813 BFGS: 964 12:35:55 -1791.723003 31.442721 BFGS: 965 12:35:57 -1793.116184 31.964054 BFGS: 966 12:35:59 -1794.513018 32.518163 BFGS: 967 12:36:01 -1795.899207 33.048612 BFGS: 968 12:36:03 -1797.288457 33.611918 BFGS: 969 12:36:05 -1798.664705 34.129804 BFGS: 970 12:36:08 -1800.059798 34.727577 BFGS: 971 12:36:10 -1801.405158 35.133328 BFGS: 972 12:36:12 -1802.701674 35.361906 BFGS: 973 12:36:14 -1804.080918 35.890594 BFGS: 974 12:36:16 -1805.458019 36.434854 BFGS: 975 12:36:18 -1806.836387 36.975799 BFGS: 976 12:36:20 -1808.216516 37.505026 BFGS: 977 12:36:22 -1809.600763 38.017816 BFGS: 978 12:36:24 -1810.992130 38.519261 BFGS: 979 12:36:27 -1812.387094 38.999522 BFGS: 980 12:36:29 -1813.794610 39.466484 BFGS: 981 12:36:31 -1815.207318 39.910074 BFGS: 982 12:36:33 -1816.630021 40.334918 BFGS: 983 12:36:35 -1818.060823 40.738999 BFGS: 984 12:36:38 -1819.500554 41.124707 BFGS: 985 12:36:40 -1820.947648 41.483963 BFGS: 986 12:36:42 -1822.405340 41.826344 BFGS: 987 12:36:44 -1823.871985 42.148956 BFGS: 988 12:36:46 -1825.346629 42.451134 BFGS: 989 12:36:48 -1826.828016 42.732001 BFGS: 990 12:36:50 -1828.316679 42.996369 BFGS: 991 12:36:52 -1829.809655 43.241519 BFGS: 992 12:36:54 -1831.306175 43.471456 BFGS: 993 12:36:56 -1832.804981 43.686887 BFGS: 994 12:36:58 -1834.298230 43.872515 BFGS: 995 12:37:00 -1835.796149 44.067509 BFGS: 996 12:37:02 -1837.288740 44.252499 BFGS: 997 12:37:04 -1838.783209 44.454718 BFGS: 998 12:37:06 -1840.273401 44.741319 BFGS: 999 12:37:08 -1841.761204 45.668625 BFGS: 1000 12:37:10 -1843.247937 46.585555 BFGS: 1001 12:37:12 -1844.733562 47.488356 BFGS: 1002 12:37:15 -1846.213512 48.378636 BFGS: 1003 12:37:17 -1847.691392 49.248199 BFGS: 1004 12:37:19 -1849.163413 50.111269 BFGS: 1005 12:37:21 -1850.628624 50.956783 BFGS: 1006 12:37:23 -1852.087949 51.788865 BFGS: 1007 12:37:25 -1853.538640 52.608746 BFGS: 1008 12:37:27 -1854.981879 53.413736 BFGS: 1009 12:37:29 -1856.405617 54.216073 BFGS: 1010 12:37:31 -1857.820849 54.983944 BFGS: 1011 12:37:33 -1859.218548 55.759757 BFGS: 1012 12:37:35 -1860.599317 56.491699 BFGS: 1013 12:37:37 -1861.957695 57.236468 BFGS: 1014 12:37:39 -1863.295374 57.949432 BFGS: 1015 12:37:42 -1864.610338 58.664104 BFGS: 1016 12:37:44 -1865.903429 59.356254 BFGS: 1017 12:37:46 -1867.163121 60.050818 BFGS: 1018 12:37:48 -1868.400469 60.710086 BFGS: 1019 12:37:50 -1869.602001 61.384748 BFGS: 1020 12:37:53 -1870.777012 62.014622 BFGS: 1021 12:37:55 -1871.912946 62.674782 BFGS: 1022 12:37:57 -1873.022925 63.263760 BFGS: 1023 12:37:59 -1874.082270 63.919630 BFGS: 1024 12:38:00 -1875.130315 64.455110 BFGS: 1025 12:38:03 -1876.120713 65.112668 BFGS: 1026 12:38:05 -1877.103464 65.590927 BFGS: 1027 12:38:07 -1878.020532 66.264390 BFGS: 1028 12:38:09 -1878.945087 66.661056 BFGS: 1029 12:38:11 -1879.791409 67.366352 BFGS: 1030 12:38:13 -1880.660311 67.663047 BFGS: 1031 12:38:15 -1881.444901 68.392877 BFGS: 1032 12:38:17 -1882.272697 68.614739 BFGS: 1033 12:38:18 -1883.023149 69.336685 BFGS: 1034 12:38:20 -1883.833469 69.545124 BFGS: 1035 12:38:22 -1884.603580 70.210941 BFGS: 1036 12:38:24 -1885.408834 70.434748 BFGS: 1037 12:38:26 -1886.257846 70.984157 BFGS: 1038 12:38:28 -1887.180204 71.190866 BFGS: 1039 12:38:30 -1888.221000 71.588386 BFGS: 1040 12:38:32 -1889.431479 71.732306 BFGS: 1041 12:38:34 -1890.858352 71.925631 BFGS: 1042 12:38:36 -1892.571089 71.881404 BFGS: 1043 12:38:38 -1894.628395 71.731924 BFGS: 1044 12:38:40 -1897.110788 71.230349 BFGS: 1045 12:38:43 -1900.028779 70.418537 BFGS: 1046 12:38:45 -1902.863065 69.275421 BFGS: 1047 12:38:47 -1905.530488 68.026519 BFGS: 1048 12:38:49 -1908.060439 66.660620 BFGS: 1049 12:38:51 -1910.475167 65.279646 BFGS: 1050 12:38:53 -1912.808756 63.850096 BFGS: 1051 12:38:55 -1915.113837 62.381479 BFGS: 1052 12:38:57 -1917.459945 60.790256 BFGS: 1053 12:38:59 -1919.821680 59.173267 BFGS: 1054 12:39:02 -1922.212130 57.487859 BFGS: 1055 12:39:05 -1924.600924 55.815645 BFGS: 1056 12:39:07 -1926.986326 54.097744 BFGS: 1057 12:39:10 -1929.306978 52.470366 BFGS: 1058 12:39:12 -1931.602660 50.790590 BFGS: 1059 12:39:14 -1933.778596 49.285660 BFGS: 1060 12:39:15 -1935.939080 47.664262 BFGS: 1061 12:39:17 -1938.001234 46.198242 BFGS: 1062 12:39:19 -1940.113074 44.486131 BFGS: 1063 12:39:20 -1942.075892 43.078565 BFGS: 1064 12:39:22 -1944.167800 41.217691 BFGS: 1065 12:39:24 -1946.025975 39.907394 BFGS: 1066 12:39:26 -1948.134004 38.898419 BFGS: 1067 12:39:29 -1949.915679 39.429574 BFGS: 1068 12:39:32 -1951.988195 39.963296 BFGS: 1069 12:39:34 -1953.731159 40.540369 BFGS: 1070 12:39:36 -1955.741955 41.140370 BFGS: 1071 12:39:39 -1957.495056 41.784511 BFGS: 1072 12:39:41 -1959.440668 42.468618 BFGS: 1073 12:39:43 -1961.169961 43.190415 BFGS: 1074 12:39:45 -1963.019061 43.987589 BFGS: 1075 12:39:48 -1964.671714 44.849710 BFGS: 1076 12:39:50 -1966.153171 45.670838 BFGS: 1077 12:39:52 -1967.398604 46.518444 BFGS: 1078 12:39:54 -1968.407250 47.241277 BFGS: 1079 12:39:56 -1969.285847 48.015815 BFGS: 1080 12:39:59 -1970.018245 48.665711 BFGS: 1081 12:40:02 -1970.678073 49.375107 BFGS: 1082 12:40:04 -1971.256945 49.955688 BFGS: 1083 12:40:06 -1971.815602 50.620882 BFGS: 1084 12:40:09 -1972.343148 51.108448 BFGS: 1085 12:40:11 -1972.905122 51.701827 BFGS: 1086 12:40:14 -1973.264031 51.553738 BFGS: 1087 12:40:16 -1973.575902 51.113987 BFGS: 1088 12:40:18 -1973.699139 50.686998 BFGS: 1089 12:40:20 -1973.772897 50.305933 BFGS: 1090 12:40:23 -1973.812746 50.158219 BFGS: 1091 12:40:25 -1973.868771 49.993767 BFGS: 1092 12:40:27 -1973.922451 50.012860 BFGS: 1093 12:40:29 -1974.008300 50.133255 BFGS: 1094 12:40:31 -1974.140679 50.323248 BFGS: 1095 12:40:34 -1974.431461 50.519618 BFGS: 1096 12:40:36 -1975.039380 50.487632 BFGS: 1097 12:40:38 -1976.168014 49.682811 BFGS: 1098 12:40:39 -1977.282699 49.787592 BFGS: 1099 12:40:41 -1977.997038 48.535013 BFGS: 1100 12:40:43 -1978.456157 46.175446 BFGS: 1101 12:40:44 -1978.707662 44.470956 BFGS: 1102 12:40:46 -1978.766131 43.744566 BFGS: 1103 12:40:47 -1978.796337 43.343801 BFGS: 1104 12:40:49 -1978.852171 42.600181 BFGS: 1105 12:40:51 -1978.898351 41.867796 BFGS: 1106 12:40:53 -1978.931601 41.089245 BFGS: 1107 12:40:56 -1978.960945 40.233933 BFGS: 1108 12:40:58 -1979.000847 39.264790 BFGS: 1109 12:41:01 -1979.049878 38.979252 BFGS: 1110 12:41:03 -1979.089446 39.171556 BFGS: 1111 12:41:05 -1979.041958 37.475656 BFGS: 1112 12:41:07 -1979.165619 36.907581 BFGS: 1113 12:41:08 -1979.237293 37.584939 BFGS: 1114 12:41:10 -1979.311944 38.055004 BFGS: 1115 12:41:12 -1979.402596 38.328158 BFGS: 1116 12:41:14 -1979.516559 38.414245 BFGS: 1117 12:41:16 -1979.657537 38.302550 BFGS: 1118 12:41:18 -1979.815299 37.965694 BFGS: 1119 12:41:20 -1980.027473 37.455487 BFGS: 1120 12:41:22 -1980.226809 36.612398 BFGS: 1121 12:41:24 -1980.522329 35.344613 BFGS: 1122 12:41:25 -1980.715377 33.947568 BFGS: 1123 12:41:27 -1981.071992 30.524376 BFGS: 1124 12:41:29 -1981.189723 28.733726 BFGS: 1125 12:41:31 -1981.299502 27.415802 BFGS: 1126 12:41:34 -1981.378692 26.723548 BFGS: 1127 12:41:36 -1981.412795 26.678766 BFGS: 1128 12:41:39 -1981.461220 26.734702 BFGS: 1129 12:41:41 -1981.487084 26.775744 BFGS: 1130 12:41:43 -1981.577662 27.060565 BFGS: 1131 12:41:45 -1981.700487 27.357263 BFGS: 1132 12:41:47 -1982.015870 27.856069 BFGS: 1133 12:41:49 -1982.749310 28.615211 BFGS: 1134 12:41:51 -1983.927530 29.385819 BFGS: 1135 12:41:53 -1985.415741 30.114629 BFGS: 1136 12:41:55 -1987.231703 30.877837 BFGS: 1137 12:41:57 -1989.369041 31.726085 BFGS: 1138 12:41:59 -1991.932475 32.773645 BFGS: 1139 12:42:01 -1994.670634 33.881483 BFGS: 1140 12:42:03 -1997.596842 35.256129 BFGS: 1141 12:42:05 -2000.019358 36.102678 BFGS: 1142 12:42:07 -2003.035155 38.065875 BFGS: 1143 12:42:09 -2005.140368 38.655051 BFGS: 1144 12:42:11 -2007.520741 39.863911 BFGS: 1145 12:42:13 -2009.674829 40.685856 BFGS: 1146 12:42:15 -2011.824490 41.571371 BFGS: 1147 12:42:17 -2013.880152 42.306643 BFGS: 1148 12:42:19 -2015.906190 43.026451 BFGS: 1149 12:42:21 -2017.882255 43.674418 BFGS: 1150 12:42:23 -2019.821922 44.283829 BFGS: 1151 12:42:25 -2021.715374 44.836913 BFGS: 1152 12:42:28 -2023.570224 45.373990 BFGS: 1153 12:42:30 -2025.385096 45.852057 BFGS: 1154 12:42:32 -2027.165470 46.310760 BFGS: 1155 12:42:35 -2028.897195 46.713498 BFGS: 1156 12:42:37 -2030.592513 47.117775 BFGS: 1157 12:42:39 -2032.236155 47.458812 BFGS: 1158 12:42:41 -2033.846247 47.822580 BFGS: 1159 12:42:43 -2035.394070 48.093719 BFGS: 1160 12:42:45 -2036.903256 48.438833 BFGS: 1161 12:42:47 -2038.339876 48.652568 BFGS: 1162 12:42:50 -2039.755953 48.980399 BFGS: 1163 12:42:52 -2041.076750 49.105822 BFGS: 1164 12:42:54 -2042.394755 49.452117 BFGS: 1165 12:42:56 -2043.592421 49.459021 BFGS: 1166 12:42:58 -2044.798603 49.820680 BFGS: 1167 12:43:00 -2045.875551 49.771811 BFGS: 1168 12:43:02 -2046.945592 50.070342 BFGS: 1169 12:43:04 -2047.903831 50.048183 BFGS: 1170 12:43:06 -2048.831706 50.228019 BFGS: 1171 12:43:08 -2049.669381 50.220662 BFGS: 1172 12:43:10 -2050.456091 50.309846 BFGS: 1173 12:43:12 -2051.164028 50.297970 BFGS: 1174 12:43:14 -2051.809461 50.325244 BFGS: 1175 12:43:16 -2052.379025 50.298429 BFGS: 1176 12:43:19 -2052.883336 50.283741 BFGS: 1177 12:43:21 -2053.314905 50.213748 BFGS: 1178 12:43:23 -2053.678270 50.145061 BFGS: 1179 12:43:25 -2053.971099 50.038505 BFGS: 1180 12:43:28 -2054.197939 49.932815 BFGS: 1181 12:43:30 -2054.359316 49.771427 BFGS: 1182 12:43:32 -2054.464284 49.630754 BFGS: 1183 12:43:34 -2054.520423 49.386024 BFGS: 1184 12:43:35 -2054.543636 49.366056 BFGS: 1185 12:43:38 -2054.558380 49.148260 BFGS: 1186 12:43:40 -2054.562038 49.234094 BFGS: 1187 12:43:42 -2054.567474 49.105728 BFGS: 1188 12:43:44 -2054.569141 49.067267 BFGS: 1189 12:43:46 -2054.570365 49.013701 BFGS: 1190 12:43:48 -2054.573081 48.931478 BFGS: 1191 12:43:51 -2054.579240 48.802743 BFGS: 1192 12:43:53 -2054.594077 48.602234 BFGS: 1193 12:43:55 -2054.629831 48.296611 BFGS: 1194 12:43:57 -2054.716048 47.830325 BFGS: 1195 12:44:00 -2054.935382 47.079502 BFGS: 1196 12:44:02 -2055.371048 46.161498 BFGS: 1197 12:44:04 -2056.161016 46.865872 BFGS: 1198 12:44:06 -2057.478587 47.775393 BFGS: 1199 12:44:09 -2059.523354 48.643108 BFGS: 1200 12:44:11 -2062.539296 49.367852 BFGS: 1201 12:44:13 -2065.378564 49.690641 BFGS: 1202 12:44:15 -2068.023295 49.755809 BFGS: 1203 12:44:17 -2070.599218 49.656424 BFGS: 1204 12:44:19 -2073.152105 49.435050 BFGS: 1205 12:44:21 -2075.698210 49.134724 BFGS: 1206 12:44:23 -2078.257671 48.754374 BFGS: 1207 12:44:26 -2080.818241 48.312113 BFGS: 1208 12:44:29 -2083.400518 47.807248 BFGS: 1209 12:44:31 -2085.986290 47.250007 BFGS: 1210 12:44:34 -2088.558209 46.657235 BFGS: 1211 12:44:36 -2091.153367 46.008205 BFGS: 1212 12:44:38 -2093.697770 45.348912 BFGS: 1213 12:44:40 -2096.277868 44.629670 BFGS: 1214 12:44:42 -2098.850243 43.858149 BFGS: 1215 12:44:44 -2101.415721 43.051540 BFGS: 1216 12:44:45 -2103.958329 42.206160 BFGS: 1217 12:44:47 -2106.482932 41.328023 BFGS: 1218 12:44:50 -2108.978593 40.415092 BFGS: 1219 12:44:52 -2111.437054 39.472540 BFGS: 1220 12:44:55 -2113.863388 38.510829 BFGS: 1221 12:44:57 -2116.255921 37.505997 BFGS: 1222 12:44:59 -2118.622394 36.474368 BFGS: 1223 12:45:01 -2120.913342 35.420198 BFGS: 1224 12:45:03 -2123.190176 34.328785 BFGS: 1225 12:45:05 -2125.385186 33.220192 BFGS: 1226 12:45:08 -2127.560919 32.075485 BFGS: 1227 12:45:10 -2129.666257 30.897517 BFGS: 1228 12:45:12 -2131.724582 29.698828 BFGS: 1229 12:45:14 -2133.712877 28.463253 BFGS: 1230 12:45:16 -2135.628356 27.229944 BFGS: 1231 12:45:19 -2137.459992 25.989845 BFGS: 1232 12:45:21 -2139.248038 24.699276 BFGS: 1233 12:45:23 -2140.961578 23.377012 BFGS: 1234 12:45:25 -2142.605425 22.027984 BFGS: 1235 12:45:26 -2144.153868 20.672817 BFGS: 1236 12:45:28 -2145.625875 19.302072 BFGS: 1237 12:45:30 -2147.020920 17.882361 BFGS: 1238 12:45:31 -2148.328419 16.452179 BFGS: 1239 12:45:33 -2149.519773 15.031550 BFGS: 1240 12:45:35 -2150.649461 13.560465 BFGS: 1241 12:45:37 -2151.663816 12.979288 BFGS: 1242 12:45:38 -2152.587753 12.711982 BFGS: 1243 12:45:40 -2153.399811 12.453391 BFGS: 1244 12:45:42 -2154.111840 12.201138 BFGS: 1245 12:45:44 -2154.709622 11.958141 BFGS: 1246 12:45:46 -2155.202077 11.722245 BFGS: 1247 12:45:48 -2155.578427 11.495978 BFGS: 1248 12:45:50 -2155.847544 11.278439 BFGS: 1249 12:45:52 -2156.001332 11.071840 BFGS: 1250 12:45:55 -2156.054040 10.915073 BFGS: 1251 12:45:57 -2156.060586 10.884673 BFGS: 1252 12:45:58 -2156.070351 10.892928 BFGS: 1253 12:46:00 -2156.076498 10.915995 BFGS: 1254 12:46:02 -2156.077837 10.943611 BFGS: 1255 12:46:04 -2156.079068 10.947407 BFGS: 1256 12:46:07 -2156.079638 10.961115 BFGS: 1257 12:46:09 -2156.079964 10.960958 BFGS: 1258 12:46:11 -2156.080121 10.965848 BFGS: 1259 12:46:14 -2156.080200 10.969826 BFGS: 1260 12:46:16 -2156.080234 10.974606 BFGS: 1261 12:46:18 -2156.080251 10.979063 BFGS: 1262 12:46:21 -2156.080256 10.980621 BFGS: 1263 12:46:23 -2156.080263 10.983593 BFGS: 1264 12:46:24 -2156.080268 10.984750 BFGS: 1265 12:46:26 -2156.080295 10.988393 BFGS: 1266 12:46:29 -2156.080352 10.993004 BFGS: 1267 12:46:31 -2156.080515 11.001032 BFGS: 1268 12:46:34 -2156.080927 11.013376 BFGS: 1269 12:46:36 -2156.082019 11.033144 BFGS: 1270 12:46:38 -2156.084863 11.063855 BFGS: 1271 12:46:39 -2156.092316 11.110782 BFGS: 1272 12:46:41 -2156.111781 11.179187 BFGS: 1273 12:46:43 -2156.162531 11.270150 BFGS: 1274 12:46:45 -2156.293944 11.364915 BFGS: 1275 12:46:47 -2156.599056 11.378601 BFGS: 1276 12:46:49 -2157.089143 11.211801 BFGS: 1277 12:46:50 -2157.649105 10.930391 BFGS: 1278 12:46:52 -2158.182416 10.624547 BFGS: 1279 12:46:55 -2158.705519 10.311245 BFGS: 1280 12:46:57 -2159.222618 9.986814 BFGS: 1281 12:46:59 -2159.731650 9.658188 BFGS: 1282 12:47:02 -2160.231319 9.327621 BFGS: 1283 12:47:04 -2160.720105 8.996469 BFGS: 1284 12:47:07 -2161.196580 8.665654 BFGS: 1285 12:47:09 -2161.659581 8.335667 BFGS: 1286 12:47:11 -2162.106750 8.010102 BFGS: 1287 12:47:13 -2162.540042 7.683703 BFGS: 1288 12:47:15 -2162.957227 7.359528 BFGS: 1289 12:47:16 -2163.357987 7.037717 BFGS: 1290 12:47:18 -2163.742001 6.718492 BFGS: 1291 12:47:20 -2164.109076 6.401984 BFGS: 1292 12:47:22 -2164.459105 6.088293 BFGS: 1293 12:47:24 -2164.792049 5.777493 BFGS: 1294 12:47:26 -2165.107921 5.469636 BFGS: 1295 12:47:28 -2165.406838 5.169728 BFGS: 1296 12:47:30 -2165.689027 4.867618 BFGS: 1297 12:47:32 -2165.954299 4.568786 BFGS: 1298 12:47:34 -2166.202937 4.272971 BFGS: 1299 12:47:36 -2166.435041 3.983746 BFGS: 1300 12:47:38 -2166.650792 3.692569 BFGS: 1301 12:47:40 -2166.850344 3.405472 BFGS: 1302 12:47:42 -2167.033830 3.121675 BFGS: 1303 12:47:44 -2167.201394 2.841019 BFGS: 1304 12:47:46 -2167.353211 2.563431 BFGS: 1305 12:47:47 -2167.489456 2.288879 BFGS: 1306 12:47:49 -2167.610304 2.017344 BFGS: 1307 12:47:51 -2167.715936 1.748810 BFGS: 1308 12:47:52 -2167.806531 1.483263 BFGS: 1309 12:47:54 -2167.882269 1.220691 BFGS: 1310 12:47:56 -2167.943330 0.961081 BFGS: 1311 12:47:57 -2167.989897 0.704423 BFGS: 1312 12:47:59 -2168.022154 0.450708 BFGS: 1313 12:48:01 -2168.040445 0.206265 BFGS: 1314 12:48:03 -2168.045185 0.010865 BFGS: 1315 12:48:04 -2168.045188 0.007240 BFGS: 1316 12:48:05 -2168.045190 0.003686 BFGS: 1317 12:48:07 -2168.045191 0.000865 BFGS: 1318 12:48:09 -2168.045191 0.000516 BFGS: 1319 12:48:11 -2168.045191 0.000162 BFGS: 1320 12:48:13 -2168.045191 0.000045 BFGS: 1321 12:48:15 -2168.045191 0.000016 BFGS: 1322 12:48:17 -2168.045191 0.000005 BFGS: 1323 12:48:19 -2168.045191 0.000001 BFGS: 1324 12:48:21 -2168.045191 0.000000 BFGS: 1325 12:48:23 -2168.045191 0.000000 BFGS: 1326 12:48:24 -2168.045191 0.000000 BFGS: 1327 12:48:26 -2168.045191 0.000000 BFGS: 1328 12:48:28 -2168.045191 0.000000 Minimization converged after 1328 steps. Maximum force component: 6.833732951687205e-09 eV/Angstrom Maximum stress component: 5.684868748978461e-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', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P', 'P'] basis = [[0.00000000e+00 7.31853379e-33 1.61377354e-01] [2.50000000e-01 2.50000000e-01 4.11377354e-01] [0.00000000e+00 5.00000000e-01 6.61377354e-01] [2.50000000e-01 7.50000000e-01 9.11377354e-01] [5.00000000e-01 0.00000000e+00 6.61377354e-01] [7.50000000e-01 2.50000000e-01 9.11377354e-01] [5.00000000e-01 5.00000000e-01 1.61377354e-01] [7.50000000e-01 7.50000000e-01 4.11377354e-01] [6.71623743e-01 9.07794090e-01 4.32670878e-01] [3.28376257e-01 9.22059097e-02 4.32670878e-01] [9.21623743e-01 3.42205910e-01 6.82670878e-01] [5.78376257e-01 1.57794090e-01 6.82670878e-01] [6.71623743e-01 4.07794090e-01 9.32670878e-01] [3.28376257e-01 5.92205910e-01 9.32670878e-01] [9.21623743e-01 8.42205910e-01 1.82670878e-01] [5.78376257e-01 6.57794090e-01 1.82670878e-01] [1.71623743e-01 9.07794090e-01 9.32670878e-01] [8.28376257e-01 9.22059097e-02 9.32670878e-01] [4.21623743e-01 3.42205910e-01 1.82670878e-01] [7.83762567e-02 1.57794090e-01 1.82670878e-01] [1.71623743e-01 4.07794090e-01 4.32670878e-01] [8.28376257e-01 5.92205910e-01 4.32670878e-01] [4.21623743e-01 8.42205910e-01 6.82670878e-01] [7.83762567e-02 6.57794090e-01 6.82670878e-01] [4.41969222e-01 2.18697759e-01 4.43505326e-01] [5.58030778e-01 7.81302241e-01 4.43505326e-01] [6.91969222e-01 3.13022411e-02 6.93505326e-01] [8.08030778e-01 4.68697759e-01 6.93505326e-01] [4.41969222e-01 7.18697759e-01 9.43505326e-01] [5.58030778e-01 2.81302241e-01 9.43505326e-01] [6.91969222e-01 5.31302241e-01 1.93505326e-01] [8.08030778e-01 9.68697759e-01 1.93505326e-01] [9.41969222e-01 2.18697759e-01 9.43505326e-01] [5.80307778e-02 7.81302241e-01 9.43505326e-01] [1.91969222e-01 3.13022411e-02 1.93505326e-01] [3.08030778e-01 4.68697759e-01 1.93505326e-01] [9.41969222e-01 7.18697759e-01 4.43505326e-01] [5.80307778e-02 2.81302241e-01 4.43505326e-01] [1.91969222e-01 5.31302241e-01 6.93505326e-01] [3.08030778e-01 9.68697759e-01 6.93505326e-01] [6.05432653e-01 8.80028668e-02 1.83032520e-01] [3.94567347e-01 9.11997133e-01 1.83032520e-01] [8.55432653e-01 1.61997133e-01 4.33032520e-01] [6.44567347e-01 3.38002867e-01 4.33032520e-01] [6.05432653e-01 5.88002867e-01 6.83032520e-01] [3.94567347e-01 4.11997133e-01 6.83032520e-01] [8.55432653e-01 6.61997133e-01 9.33032520e-01] [6.44567347e-01 8.38002867e-01 9.33032520e-01] [1.05432653e-01 8.80028668e-02 6.83032520e-01] [8.94567347e-01 9.11997133e-01 6.83032520e-01] [3.55432653e-01 1.61997133e-01 9.33032520e-01] [1.44567347e-01 3.38002867e-01 9.33032520e-01] [1.05432653e-01 5.88002867e-01 1.83032520e-01] [8.94567347e-01 4.11997133e-01 1.83032520e-01] [3.55432653e-01 6.61997133e-01 4.33032520e-01] [1.44567347e-01 8.38002867e-01 4.33032520e-01]] cellpar = Cell([6.849708407506942, 7.762070606791138, 3.0767173542798676]) forces = [[ 8.64554748e-29 -5.66395449e-29 7.01606844e-10] [ 0.00000000e+00 -6.12319405e-29 7.01606844e-10] [-4.32277374e-29 0.00000000e+00 7.01606844e-10] [ 4.32277374e-29 0.00000000e+00 7.01606844e-10] [ 0.00000000e+00 0.00000000e+00 7.01606844e-10] [ 0.00000000e+00 0.00000000e+00 7.01606844e-10] [ 0.00000000e+00 0.00000000e+00 7.01606844e-10] [ 0.00000000e+00 0.00000000e+00 7.01606844e-10] [ 3.41799351e-09 3.66663349e-09 2.50981991e-09] [-3.41799351e-09 -3.66663349e-09 2.50981991e-09] [ 3.41799351e-09 -3.66663349e-09 2.50981991e-09] [-3.41799351e-09 3.66663349e-09 2.50981991e-09] [ 3.41799351e-09 3.66663349e-09 2.50981991e-09] [-3.41799351e-09 -3.66663349e-09 2.50981991e-09] [ 3.41799351e-09 -3.66663349e-09 2.50981991e-09] [-3.41799351e-09 3.66663349e-09 2.50981991e-09] [ 3.41799351e-09 3.66663349e-09 2.50981991e-09] [-3.41799351e-09 -3.66663349e-09 2.50981991e-09] [ 3.41799351e-09 -3.66663349e-09 2.50981991e-09] [-3.41799351e-09 3.66663349e-09 2.50981991e-09] [ 3.41799351e-09 3.66663349e-09 2.50981991e-09] [-3.41799351e-09 -3.66663349e-09 2.50981991e-09] [ 3.41799351e-09 -3.66663349e-09 2.50981991e-09] [-3.41799351e-09 3.66663349e-09 2.50981991e-09] [ 1.94332982e-10 -4.18212309e-09 3.97311786e-09] [-1.94332982e-10 4.18212309e-09 3.97311786e-09] [ 1.94332982e-10 4.18212309e-09 3.97311786e-09] [-1.94332982e-10 -4.18212309e-09 3.97311786e-09] [ 1.94332982e-10 -4.18212309e-09 3.97311786e-09] [-1.94332982e-10 4.18212309e-09 3.97311786e-09] [ 1.94332982e-10 4.18212309e-09 3.97311786e-09] [-1.94332982e-10 -4.18212309e-09 3.97311786e-09] [ 1.94332982e-10 -4.18212309e-09 3.97311786e-09] [-1.94332982e-10 4.18212309e-09 3.97311786e-09] [ 1.94332982e-10 4.18212309e-09 3.97311786e-09] [-1.94332982e-10 -4.18212309e-09 3.97311786e-09] [ 1.94332982e-10 -4.18212309e-09 3.97311786e-09] [-1.94332982e-10 4.18212309e-09 3.97311786e-09] [ 1.94332982e-10 4.18212309e-09 3.97311786e-09] [-1.94332982e-10 -4.18212309e-09 3.97311786e-09] [ 2.81703735e-09 -5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 5.24595353e-10 -6.83373295e-09] [ 2.81703735e-09 5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 -5.24595353e-10 -6.83373295e-09] [ 2.81703735e-09 -5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 5.24595353e-10 -6.83373295e-09] [ 2.81703735e-09 5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 -5.24595353e-10 -6.83373295e-09] [ 2.81703735e-09 -5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 5.24595353e-10 -6.83373295e-09] [ 2.81703735e-09 5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 -5.24595353e-10 -6.83373295e-09] [ 2.81703735e-09 -5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 5.24595353e-10 -6.83373295e-09] [ 2.81703735e-09 5.24595353e-10 -6.83373295e-09] [-2.81703735e-09 -5.24595353e-10 -6.83373295e-09]] stress = [ 5.68486875e-10 1.04175736e-10 -7.88913294e-11 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -38.71509269207269 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0