element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: A3B9C3D2_oP68_19_3a_9a_3a_2a Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.9827', '1.0701448', '1.7267676', '0.15976917', '0.0959596', '0.53086735', '0.47752232', '0.0035219003', '0.5994408', '0.58697217', '0.83253803', '0.28560639', '0.68019761', '0.90512728', '0.4921175', '0.30891594', '0.10581169', '0.72613231', '0.55534344', '0.078290331', '0.75690441', '0.73505234', '0.87985253', '0.63414899', '0.3757304', '0.94574677', '0.44546294', '0.1679778', '0.22898491', '0.56954235', '0.063754191', '0.010890188', '0.58040325', '0.096248476', '0.11114958', '0.44826451', '0.61737583', '0.78525506', '0.19969664', '0.34780182', '0.01652987', '0.51789244', '0.64966886', '0.93336122', '0.5742078', '0.44219008', '0.062874405', '0.70214443', '0.41284157', '0.8270347', '0.3171402', '0.72805542', '0.8871505', '0.3421421'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'O', 'O'] representative atom coordinates = [[0.15976917 0.0959596 0.53086735] [0.47752232 0.0035219 0.5994408 ] [0.58697217 0.83253803 0.28560639] [0.68019761 0.90512728 0.4921175 ] [0.30891594 0.10581169 0.72613231] [0.55534344 0.07829033 0.75690441] [0.73505234 0.87985253 0.63414899] [0.3757304 0.94574677 0.44546294] [0.1679778 0.22898491 0.56954235] [0.06375419 0.01089019 0.58040325] [0.09624848 0.11114958 0.44826451] [0.61737583 0.78525506 0.19969664] [0.34780182 0.01652987 0.51789244] [0.64966886 0.93336122 0.5742078 ] [0.44219008 0.0628744 0.70214443] [0.41284157 0.8270347 0.3171402 ] [0.72805542 0.8871505 0.3421421 ]] spacegroup = 19 cell = [[6.9827, 0, 0], [0, 7.4725, 0], [0, 0, 12.0575]] ========================================= Step Time Energy fmax BFGS: 0 14:55:46 -336.028885 107.1965 BFGS: 1 14:55:47 -400.426617 35.4661 BFGS: 2 14:55:47 -404.915934 69.6530 BFGS: 3 14:55:48 -407.426488 39.8819 BFGS: 4 14:55:48 -412.781213 26.2631 BFGS: 5 14:55:50 -418.119737 20.2585 BFGS: 6 14:55:51 -418.690300 39.8680 BFGS: 7 14:55:52 -417.542470 43.8014 BFGS: 8 14:55:53 -417.724532 29.4496 BFGS: 9 14:55:53 -420.943860 32.5706 BFGS: 10 14:55:54 -423.544768 13.2201 BFGS: 11 14:55:55 -426.270033 12.2867 BFGS: 12 14:55:55 -423.161294 47.7541 BFGS: 13 14:55:57 -429.584253 19.0220 BFGS: 14 14:55:57 -429.433529 33.2800 BFGS: 15 14:55:58 -431.230122 31.8693 BFGS: 16 14:55:58 -436.027219 21.3660 BFGS: 17 14:55:59 -441.574093 18.5026 BFGS: 18 14:56:00 -446.924632 21.3194 BFGS: 19 14:56:01 -450.737979 26.8179 BFGS: 20 14:56:03 -454.948667 24.4497 BFGS: 21 14:56:04 -459.029424 21.7439 BFGS: 22 14:56:05 -462.446147 20.8887 BFGS: 23 14:56:06 -465.638571 23.1220 BFGS: 24 14:56:07 -470.562036 22.3278 BFGS: 25 14:56:08 -474.882079 21.7809 BFGS: 26 14:56:08 -477.879235 18.8483 BFGS: 27 14:56:09 -481.247046 16.2769 BFGS: 28 14:56:10 -484.346464 16.6048 BFGS: 29 14:56:10 -487.488475 16.7498 BFGS: 30 14:56:11 -490.611295 19.6229 BFGS: 31 14:56:12 -493.693655 23.7202 BFGS: 32 14:56:12 -496.730242 26.9885 BFGS: 33 14:56:13 -499.651425 28.9704 BFGS: 34 14:56:14 -502.323299 29.4042 BFGS: 35 14:56:15 -504.770937 30.8955 BFGS: 36 14:56:15 -507.278020 31.9290 BFGS: 37 14:56:17 -509.750885 29.0284 BFGS: 38 14:56:17 -512.124666 26.4534 BFGS: 39 14:56:18 -514.627130 23.4279 BFGS: 40 14:56:18 -517.163218 20.3235 BFGS: 41 14:56:19 -519.705594 26.1488 BFGS: 42 14:56:20 -522.231453 36.7235 BFGS: 43 14:56:21 -524.719852 48.5698 BFGS: 44 14:56:21 -527.296224 58.8032 BFGS: 45 14:56:22 -530.909999 64.6672 BFGS: 46 14:56:23 -535.277152 69.0943 BFGS: 47 14:56:24 -539.527859 73.1722 BFGS: 48 14:56:24 -543.264595 79.5729 BFGS: 49 14:56:25 -552.789170 78.3547 BFGS: 50 14:56:26 -561.976775 75.2611 BFGS: 51 14:56:27 -570.000510 64.3193 BFGS: 52 14:56:28 -582.048892 54.1178 BFGS: 53 14:56:29 -593.024987 47.7448 BFGS: 54 14:56:31 -604.836547 41.2760 BFGS: 55 14:56:32 -615.318986 35.5445 BFGS: 56 14:56:32 -623.676705 32.2607 BFGS: 57 14:56:33 -635.492601 28.3583 BFGS: 58 14:56:33 -644.673371 29.7342 BFGS: 59 14:56:34 -653.699722 30.2239 BFGS: 60 14:56:35 -661.745242 28.9861 BFGS: 61 14:56:35 -669.956048 34.2257 BFGS: 62 14:56:35 -676.571241 34.2498 BFGS: 63 14:56:36 -683.167560 42.0975 BFGS: 64 14:56:36 -688.864192 45.2489 BFGS: 65 14:56:37 -694.372436 47.4854 BFGS: 66 14:56:38 -700.036703 50.4321 BFGS: 67 14:56:38 -705.229146 49.4649 BFGS: 68 14:56:39 -710.174830 49.7061 BFGS: 69 14:56:40 -714.537382 45.7677 BFGS: 70 14:56:40 -722.244015 36.3380 BFGS: 71 14:56:41 -730.264387 29.3383 BFGS: 72 14:56:42 -735.566113 32.9318 BFGS: 73 14:56:43 -740.188045 26.8145 BFGS: 74 14:56:44 -744.012830 29.0020 BFGS: 75 14:56:45 -747.746871 30.8962 BFGS: 76 14:56:45 -751.494684 32.3325 BFGS: 77 14:56:46 -755.205993 33.3859 BFGS: 78 14:56:46 -758.807317 33.8446 BFGS: 79 14:56:47 -762.252550 33.4035 BFGS: 80 14:56:48 -766.437471 33.5396 BFGS: 81 14:56:48 -770.439196 33.3924 BFGS: 82 14:56:49 -774.274715 32.8906 BFGS: 83 14:56:49 -778.098081 32.8732 BFGS: 84 14:56:50 -781.594293 33.1427 BFGS: 85 14:56:50 -784.966016 32.5973 BFGS: 86 14:56:51 -787.996407 32.9403 BFGS: 87 14:56:52 -790.799649 32.2329 BFGS: 88 14:56:52 -793.542586 32.2717 BFGS: 89 14:56:52 -796.021972 31.9644 BFGS: 90 14:56:53 -798.506754 31.4477 BFGS: 91 14:56:53 -800.799535 31.4661 BFGS: 92 14:56:54 -803.081174 30.6078 BFGS: 93 14:56:54 -805.241875 30.5299 BFGS: 94 14:56:55 -807.359100 29.8372 BFGS: 95 14:56:55 -809.399241 29.5183 BFGS: 96 14:56:56 -811.400871 28.9195 BFGS: 97 14:56:56 -813.336483 28.5579 BFGS: 98 14:56:57 -815.247450 27.9495 BFGS: 99 14:56:58 -817.098713 27.6751 BFGS: 100 14:56:58 -818.933332 26.9699 BFGS: 101 14:56:59 -820.717397 26.8413 BFGS: 102 14:56:59 -822.486712 26.1095 BFGS: 103 14:57:00 -824.219093 25.8901 BFGS: 104 14:57:00 -825.933249 25.3753 BFGS: 105 14:57:01 -827.625244 25.0222 BFGS: 106 14:57:02 -829.301871 24.6261 BFGS: 107 14:57:02 -830.963346 24.2295 BFGS: 108 14:57:02 -832.616218 23.8930 BFGS: 109 14:57:03 -834.258922 23.4812 BFGS: 110 14:57:03 -835.899972 23.1909 BFGS: 111 14:57:04 -837.533711 22.7702 BFGS: 112 14:57:05 -839.173993 22.5131 BFGS: 113 14:57:06 -840.811321 22.1048 BFGS: 114 14:57:08 -842.459727 21.8419 BFGS: 115 14:57:09 -844.111488 22.0379 BFGS: 116 14:57:09 -845.776768 22.3758 BFGS: 117 14:57:11 -847.452744 22.7212 BFGS: 118 14:57:11 -849.138064 23.0829 BFGS: 119 14:57:11 -850.826806 23.4569 BFGS: 120 14:57:12 -852.532799 23.8407 BFGS: 121 14:57:12 -854.268874 24.2225 BFGS: 122 14:57:13 -856.057086 24.6586 BFGS: 123 14:57:14 -857.835174 25.1628 BFGS: 124 14:57:15 -859.730710 25.5672 BFGS: 125 14:57:16 -861.703635 26.0775 BFGS: 126 14:57:16 -863.842850 26.5235 BFGS: 127 14:57:17 -866.147785 27.3306 BFGS: 128 14:57:18 -868.425002 28.2250 BFGS: 129 14:57:19 -871.042793 28.8818 BFGS: 130 14:57:20 -873.994554 29.6151 BFGS: 131 14:57:21 -876.513322 30.4534 BFGS: 132 14:57:22 -880.516668 30.9674 BFGS: 133 14:57:23 -884.484286 31.3661 BFGS: 134 14:57:23 -887.919857 31.2606 BFGS: 135 14:57:24 -890.832491 31.1308 BFGS: 136 14:57:25 -893.408286 30.9512 BFGS: 137 14:57:26 -895.999883 30.7759 BFGS: 138 14:57:27 -898.627853 30.4264 BFGS: 139 14:57:27 -901.338383 29.8521 BFGS: 140 14:57:28 -904.116071 28.9789 BFGS: 141 14:57:28 -906.995824 27.7372 BFGS: 142 14:57:29 -909.958300 26.1349 BFGS: 143 14:57:29 -913.031157 24.8394 BFGS: 144 14:57:30 -916.183278 24.5974 BFGS: 145 14:57:31 -919.453924 24.3142 BFGS: 146 14:57:32 -922.799834 24.0440 BFGS: 147 14:57:33 -926.254598 23.8263 BFGS: 148 14:57:33 -929.754094 23.6830 BFGS: 149 14:57:33 -933.279891 23.6567 BFGS: 150 14:57:34 -936.723854 25.2094 BFGS: 151 14:57:34 -939.999404 28.5317 BFGS: 152 14:57:35 -943.113107 31.6094 BFGS: 153 14:57:36 -946.125153 33.5430 BFGS: 154 14:57:37 -949.159666 35.3338 BFGS: 155 14:57:38 -952.198310 37.1891 BFGS: 156 14:57:39 -955.577840 38.5356 BFGS: 157 14:57:40 -958.909949 39.5534 BFGS: 158 14:57:41 -962.182313 40.1425 BFGS: 159 14:57:42 -965.188252 40.9861 BFGS: 160 14:57:43 -967.863416 41.4628 BFGS: 161 14:57:44 -970.424760 42.4838 BFGS: 162 14:57:44 -972.908700 42.9579 BFGS: 163 14:57:45 -975.422535 44.1930 BFGS: 164 14:57:46 -977.982257 44.5483 BFGS: 165 14:57:46 -980.536179 45.3538 BFGS: 166 14:57:46 -983.131489 46.0043 BFGS: 167 14:57:46 -985.732447 46.7218 BFGS: 168 14:57:47 -988.354689 47.3886 BFGS: 169 14:57:48 -991.001555 48.0036 BFGS: 170 14:57:48 -993.705362 48.4899 BFGS: 171 14:57:49 -996.479118 48.7526 BFGS: 172 14:57:49 -999.361071 48.7714 BFGS: 173 14:57:50 -1002.357916 48.3794 BFGS: 174 14:57:50 -1005.495414 47.6697 BFGS: 175 14:57:50 -1008.802330 46.4604 BFGS: 176 14:57:51 -1011.852923 45.2014 BFGS: 177 14:57:51 -1014.787013 43.7832 BFGS: 178 14:57:52 -1017.520148 42.5221 BFGS: 179 14:57:53 -1020.169482 41.2206 BFGS: 180 14:57:54 -1022.717077 40.1464 BFGS: 181 14:57:55 -1025.212828 38.9369 BFGS: 182 14:57:55 -1027.653484 38.0118 BFGS: 183 14:57:56 -1030.051830 36.8507 BFGS: 184 14:57:57 -1032.412471 36.0296 BFGS: 185 14:57:58 -1034.728956 34.9442 BFGS: 186 14:57:58 -1037.018837 34.1008 BFGS: 187 14:57:59 -1039.262635 33.2686 BFGS: 188 14:58:00 -1041.498067 32.3156 BFGS: 189 14:58:01 -1043.694777 31.7887 BFGS: 190 14:58:01 -1045.903322 30.9042 BFGS: 191 14:58:02 -1048.098972 30.4512 BFGS: 192 14:58:03 -1050.311611 29.8312 BFGS: 193 14:58:03 -1052.527360 30.0172 BFGS: 194 14:58:04 -1054.747918 30.5495 BFGS: 195 14:58:05 -1056.962499 31.0630 BFGS: 196 14:58:06 -1059.160861 31.6201 BFGS: 197 14:58:07 -1061.333389 32.1134 BFGS: 198 14:58:07 -1063.451453 32.6055 BFGS: 199 14:58:08 -1065.523201 32.9030 BFGS: 200 14:58:09 -1067.591446 33.0646 BFGS: 201 14:58:09 -1069.660111 33.2803 BFGS: 202 14:58:10 -1071.715947 33.4589 BFGS: 203 14:58:11 -1073.764834 33.6585 BFGS: 204 14:58:12 -1075.872338 33.7487 BFGS: 205 14:58:14 -1078.032115 34.0442 BFGS: 206 14:58:14 -1080.218148 34.2099 BFGS: 207 14:58:14 -1082.365995 34.3484 BFGS: 208 14:58:15 -1084.536684 34.0933 BFGS: 209 14:58:16 -1086.870116 33.9065 BFGS: 210 14:58:17 -1089.166737 33.7363 BFGS: 211 14:58:18 -1091.651535 33.0020 BFGS: 212 14:58:19 -1094.305742 32.3963 BFGS: 213 14:58:19 -1097.231072 31.2760 BFGS: 214 14:58:20 -1100.168657 31.9748 BFGS: 215 14:58:20 -1103.086424 32.5261 BFGS: 216 14:58:20 -1106.147541 33.3912 BFGS: 217 14:58:21 -1109.236909 34.5222 BFGS: 218 14:58:21 -1112.398522 35.7942 BFGS: 219 14:58:22 -1115.301673 37.1286 BFGS: 220 14:58:22 -1118.239449 38.3160 BFGS: 221 14:58:23 -1120.653679 38.9026 BFGS: 222 14:58:24 -1123.206707 39.7105 BFGS: 223 14:58:24 -1125.497943 39.6467 BFGS: 224 14:58:25 -1127.721766 39.8574 BFGS: 225 14:58:25 -1129.860592 39.4329 BFGS: 226 14:58:27 -1131.879187 39.2901 BFGS: 227 14:58:28 -1133.810925 38.6952 BFGS: 228 14:58:29 -1135.614386 38.2473 BFGS: 229 14:58:30 -1137.326957 37.5056 BFGS: 230 14:58:30 -1138.937131 36.8257 BFGS: 231 14:58:31 -1140.479250 36.0042 BFGS: 232 14:58:31 -1141.961535 35.1929 BFGS: 233 14:58:31 -1143.407903 34.3259 BFGS: 234 14:58:32 -1144.824355 33.4727 BFGS: 235 14:58:33 -1146.222601 32.6096 BFGS: 236 14:58:34 -1147.604012 31.7368 BFGS: 237 14:58:34 -1148.973014 30.8870 BFGS: 238 14:58:34 -1150.331358 30.4283 BFGS: 239 14:58:35 -1151.679632 31.3086 BFGS: 240 14:58:35 -1153.022103 31.5645 BFGS: 241 14:58:35 -1154.356189 32.2562 BFGS: 242 14:58:35 -1155.685212 32.5201 BFGS: 243 14:58:35 -1157.002994 32.9757 BFGS: 244 14:58:36 -1158.311911 33.2616 BFGS: 245 14:58:36 -1159.615382 33.5907 BFGS: 246 14:58:36 -1160.934262 33.8639 BFGS: 247 14:58:36 -1162.299981 34.1655 BFGS: 248 14:58:36 -1163.767637 34.5049 BFGS: 249 14:58:38 -1165.411992 34.9514 BFGS: 250 14:58:38 -1167.228352 35.4459 BFGS: 251 14:58:39 -1169.192163 35.7200 BFGS: 252 14:58:40 -1171.225392 35.6561 BFGS: 253 14:58:41 -1173.315695 35.3442 BFGS: 254 14:58:41 -1175.312792 34.8773 BFGS: 255 14:58:41 -1177.361512 34.2383 BFGS: 256 14:58:42 -1179.192609 33.6764 BFGS: 257 14:58:42 -1181.054146 32.8880 BFGS: 258 14:58:42 -1182.740128 32.2795 BFGS: 259 14:58:43 -1184.345193 31.4918 BFGS: 260 14:58:43 -1185.836480 30.9320 BFGS: 261 14:58:44 -1187.233501 30.1928 BFGS: 262 14:58:44 -1188.550709 29.6841 BFGS: 263 14:58:45 -1189.791394 29.0660 BFGS: 264 14:58:45 -1190.971209 28.5432 BFGS: 265 14:58:46 -1192.095026 28.0487 BFGS: 266 14:58:46 -1193.174598 27.5368 BFGS: 267 14:58:47 -1194.213480 27.1231 BFGS: 268 14:58:47 -1195.220180 26.6445 BFGS: 269 14:58:48 -1196.197566 26.2714 BFGS: 270 14:58:48 -1197.149810 25.8495 BFGS: 271 14:58:49 -1198.078378 25.4892 BFGS: 272 14:58:50 -1198.985186 25.1238 BFGS: 273 14:58:50 -1199.871105 24.7844 BFGS: 274 14:58:51 -1200.736789 24.4596 BFGS: 275 14:58:52 -1201.582387 24.1483 BFGS: 276 14:58:52 -1202.407896 23.8556 BFGS: 277 14:58:53 -1203.212310 23.5749 BFGS: 278 14:58:53 -1203.996138 23.3105 BFGS: 279 14:58:54 -1204.745863 23.0663 BFGS: 280 14:58:54 -1206.024726 22.4323 BFGS: 281 14:58:55 -1206.996887 22.4415 BFGS: 282 14:58:56 -1207.867000 22.5036 BFGS: 283 14:58:56 -1209.268191 22.3957 BFGS: 284 14:58:57 -1210.282323 22.4201 BFGS: 285 14:58:58 -1211.298325 22.4886 BFGS: 286 14:58:58 -1212.182422 22.5937 BFGS: 287 14:58:59 -1213.426336 22.7063 BFGS: 288 14:59:00 -1214.625380 23.1312 BFGS: 289 14:59:00 -1215.976730 23.4604 BFGS: 290 14:59:00 -1217.310158 23.8231 BFGS: 291 14:59:01 -1218.552990 24.1914 BFGS: 292 14:59:01 -1219.729418 24.4656 BFGS: 293 14:59:02 -1220.869136 24.7256 BFGS: 294 14:59:03 -1222.030255 24.8559 BFGS: 295 14:59:03 -1223.229272 24.9681 BFGS: 296 14:59:04 -1224.489998 24.8946 BFGS: 297 14:59:04 -1225.798223 24.8495 BFGS: 298 14:59:04 -1227.177202 24.5520 BFGS: 299 14:59:05 -1228.607217 24.3981 BFGS: 300 14:59:06 -1230.120898 23.8912 BFGS: 301 14:59:07 -1231.695427 23.7094 BFGS: 302 14:59:07 -1233.360108 23.0380 BFGS: 303 14:59:08 -1235.097691 23.0723 BFGS: 304 14:59:09 -1236.922125 23.1217 BFGS: 305 14:59:09 -1238.842280 23.1591 BFGS: 306 14:59:09 -1240.810012 23.1908 BFGS: 307 14:59:10 -1242.917220 23.4480 BFGS: 308 14:59:11 -1245.022331 23.8197 BFGS: 309 14:59:11 -1247.301994 24.1611 BFGS: 310 14:59:11 -1249.570587 24.4618 BFGS: 311 14:59:11 -1251.984876 24.7365 BFGS: 312 14:59:11 -1254.431792 24.9677 BFGS: 313 14:59:13 -1256.979248 25.1739 BFGS: 314 14:59:14 -1259.587092 25.3198 BFGS: 315 14:59:14 -1262.278982 25.4145 BFGS: 316 14:59:15 -1265.024291 25.4379 BFGS: 317 14:59:16 -1267.556799 25.4165 BFGS: 318 14:59:16 -1270.031472 25.3911 BFGS: 319 14:59:17 -1272.584345 25.3823 BFGS: 320 14:59:18 -1274.998560 25.4416 BFGS: 321 14:59:18 -1277.293306 25.5682 BFGS: 322 14:59:18 -1279.368219 25.8418 BFGS: 323 14:59:18 -1281.432844 26.1983 BFGS: 324 14:59:18 -1283.241395 26.8188 BFGS: 325 14:59:18 -1285.189932 27.4551 BFGS: 326 14:59:19 -1286.686852 28.3125 BFGS: 327 14:59:20 -1288.735667 29.2607 BFGS: 328 14:59:21 -1289.789019 29.8849 BFGS: 329 14:59:22 -1291.910689 31.0590 BFGS: 330 14:59:22 -1294.711346 32.9494 BFGS: 331 14:59:23 -1297.685049 34.7114 BFGS: 332 14:59:24 -1301.456870 36.6728 BFGS: 333 14:59:25 -1306.106735 38.9631 BFGS: 334 14:59:26 -1310.662985 41.0409 BFGS: 335 14:59:26 -1313.530345 41.9466 BFGS: 336 14:59:27 -1317.411097 41.8360 BFGS: 337 14:59:28 -1321.603732 41.1759 BFGS: 338 14:59:29 -1326.228566 39.7258 BFGS: 339 14:59:29 -1331.352452 37.5432 BFGS: 340 14:59:30 -1336.454708 35.1686 BFGS: 341 14:59:31 -1342.008765 31.8756 BFGS: 342 14:59:32 -1347.655139 31.1605 BFGS: 343 14:59:33 -1353.463261 33.0083 BFGS: 344 14:59:33 -1359.282277 32.6611 BFGS: 345 14:59:34 -1365.000354 33.5001 BFGS: 346 14:59:34 -1370.600689 32.3889 BFGS: 347 14:59:34 -1375.913109 32.7798 BFGS: 348 14:59:34 -1381.072823 32.2396 BFGS: 349 14:59:35 -1386.072331 32.3877 BFGS: 350 14:59:35 -1391.231545 31.8501 BFGS: 351 14:59:36 -1396.295026 31.6092 BFGS: 352 14:59:36 -1400.820277 30.7403 BFGS: 353 14:59:37 -1405.060274 30.6183 BFGS: 354 14:59:37 -1408.863659 29.9452 BFGS: 355 14:59:38 -1412.556915 28.8749 BFGS: 356 14:59:38 -1415.880641 27.8016 BFGS: 357 14:59:39 -1418.898138 28.0450 BFGS: 358 14:59:40 -1421.514070 28.0441 BFGS: 359 14:59:40 -1423.913066 27.2900 BFGS: 360 14:59:41 -1426.045046 26.7860 BFGS: 361 14:59:41 -1428.073640 25.6764 BFGS: 362 14:59:42 -1429.846625 25.2775 BFGS: 363 14:59:43 -1431.633436 24.3002 BFGS: 364 14:59:44 -1433.193130 23.7051 BFGS: 365 14:59:45 -1434.699102 23.2409 BFGS: 366 14:59:45 -1436.189345 22.7299 BFGS: 367 14:59:46 -1437.679209 22.4131 BFGS: 368 14:59:46 -1439.162442 22.0403 BFGS: 369 14:59:47 -1440.644919 21.8277 BFGS: 370 14:59:47 -1442.114499 21.5447 BFGS: 371 14:59:48 -1443.579817 21.3986 BFGS: 372 14:59:48 -1445.025817 21.1692 BFGS: 373 14:59:48 -1446.465106 21.0465 BFGS: 374 14:59:49 -1447.881797 20.8551 BFGS: 375 14:59:50 -1449.287443 20.7240 BFGS: 376 14:59:51 -1450.667657 20.5589 BFGS: 377 14:59:51 -1452.031640 20.4070 BFGS: 378 14:59:52 -1453.367034 20.2542 BFGS: 379 14:59:53 -1454.682255 20.0832 BFGS: 380 14:59:54 -1455.962983 19.9372 BFGS: 381 14:59:54 -1457.223336 19.7513 BFGS: 382 14:59:55 -1458.439872 19.6169 BFGS: 383 14:59:57 -1459.639676 19.4232 BFGS: 384 14:59:57 -1460.789772 19.3152 BFGS: 385 14:59:58 -1461.929961 19.1209 BFGS: 386 14:59:59 -1463.015932 19.0144 BFGS: 387 15:00:00 -1464.089981 18.8532 BFGS: 388 15:00:00 -1465.114450 18.7504 BFGS: 389 15:00:01 -1466.119894 18.6280 BFGS: 390 15:00:01 -1467.088078 18.5303 BFGS: 391 15:00:02 -1468.037008 18.4345 BFGS: 392 15:00:03 -1468.956451 18.3511 BFGS: 393 15:00:04 -1469.857080 18.2765 BFGS: 394 15:00:05 -1470.734506 18.2015 BFGS: 395 15:00:05 -1471.595994 18.1474 BFGS: 396 15:00:06 -1472.441069 18.0883 BFGS: 397 15:00:07 -1473.274042 18.0485 BFGS: 398 15:00:08 -1474.096175 18.0035 BFGS: 399 15:00:09 -1474.910169 17.9755 BFGS: 400 15:00:09 -1475.719196 17.9452 BFGS: 401 15:00:10 -1476.524822 17.9159 BFGS: 402 15:00:10 -1477.329051 17.8722 BFGS: 403 15:00:10 -1478.131125 17.8228 BFGS: 404 15:00:11 -1478.931539 17.7423 BFGS: 405 15:00:11 -1479.728491 17.6294 BFGS: 406 15:00:12 -1480.521621 17.4548 BFGS: 407 15:00:13 -1481.305234 17.2226 BFGS: 408 15:00:14 -1482.074574 16.9207 BFGS: 409 15:00:14 -1482.819747 16.5691 BFGS: 410 15:00:15 -1483.536226 16.1806 BFGS: 411 15:00:15 -1484.219563 15.7913 BFGS: 412 15:00:16 -1484.872000 15.4014 BFGS: 413 15:00:17 -1485.495240 15.0391 BFGS: 414 15:00:17 -1486.094323 14.8146 BFGS: 415 15:00:17 -1486.671338 14.6077 BFGS: 416 15:00:18 -1487.230168 14.4012 BFGS: 417 15:00:18 -1487.772778 14.1885 BFGS: 418 15:00:19 -1488.301683 13.9786 BFGS: 419 15:00:19 -1488.818161 13.7612 BFGS: 420 15:00:20 -1489.323670 13.5578 BFGS: 421 15:00:20 -1489.819037 13.3313 BFGS: 422 15:00:21 -1490.304645 13.1277 BFGS: 423 15:00:22 -1490.782265 12.9096 BFGS: 424 15:00:23 -1491.251125 12.7106 BFGS: 425 15:00:23 -1491.713543 12.4888 BFGS: 426 15:00:24 -1492.167110 12.3015 BFGS: 427 15:00:24 -1492.615213 12.0837 BFGS: 428 15:00:25 -1493.055329 12.0792 BFGS: 429 15:00:27 -1493.490877 12.0905 BFGS: 430 15:00:27 -1493.918789 12.1123 BFGS: 431 15:00:27 -1494.342762 12.1292 BFGS: 432 15:00:28 -1494.759334 12.1488 BFGS: 433 15:00:29 -1495.172340 12.1720 BFGS: 434 15:00:29 -1495.578485 12.1863 BFGS: 435 15:00:31 -1495.981601 12.2142 BFGS: 436 15:00:31 -1496.378526 12.2226 BFGS: 437 15:00:32 -1496.772170 12.2539 BFGS: 438 15:00:32 -1497.160771 12.2564 BFGS: 439 15:00:34 -1497.545651 12.2844 BFGS: 440 15:00:34 -1497.926545 12.2827 BFGS: 441 15:00:34 -1498.303651 12.2941 BFGS: 442 15:00:35 -1498.677402 12.2890 BFGS: 443 15:00:36 -1499.047289 12.2847 BFGS: 444 15:00:36 -1499.414276 12.2742 BFGS: 445 15:00:37 -1499.777504 12.2573 BFGS: 446 15:00:38 -1500.138100 12.2350 BFGS: 447 15:00:38 -1500.495161 12.1976 BFGS: 448 15:00:39 -1500.849132 12.1582 BFGS: 449 15:00:39 -1501.199782 12.0965 BFGS: 450 15:00:40 -1501.547843 12.0460 BFGS: 451 15:00:40 -1501.893031 11.9550 BFGS: 452 15:00:41 -1502.235998 11.9455 BFGS: 453 15:00:42 -1502.576335 12.1249 BFGS: 454 15:00:42 -1502.914529 12.2328 BFGS: 455 15:00:43 -1503.250714 12.3962 BFGS: 456 15:00:43 -1503.585073 12.4991 BFGS: 457 15:00:44 -1503.917939 12.6384 BFGS: 458 15:00:45 -1504.249492 12.7268 BFGS: 459 15:00:45 -1504.579979 12.8366 BFGS: 460 15:00:46 -1504.909574 12.9058 BFGS: 461 15:00:46 -1505.238415 12.9843 BFGS: 462 15:00:46 -1505.566654 13.0313 BFGS: 463 15:00:47 -1505.894292 13.0789 BFGS: 464 15:00:47 -1506.221466 13.1030 BFGS: 465 15:00:48 -1506.548064 13.1214 BFGS: 466 15:00:48 -1506.874230 13.1232 BFGS: 467 15:00:49 -1507.199772 13.1140 BFGS: 468 15:00:50 -1507.524851 13.0943 BFGS: 469 15:00:50 -1507.849220 13.0581 BFGS: 470 15:00:50 -1508.173055 13.0171 BFGS: 471 15:00:50 -1508.496053 12.9535 BFGS: 472 15:00:50 -1508.819073 12.8902 BFGS: 473 15:00:50 -1509.140243 12.8043 BFGS: 474 15:00:51 -1509.460646 12.7183 BFGS: 475 15:00:51 -1509.779845 12.5895 BFGS: 476 15:00:52 -1510.097913 12.4765 BFGS: 477 15:00:52 -1510.414102 12.3164 BFGS: 478 15:00:53 -1510.728436 12.1700 BFGS: 479 15:00:54 -1511.040304 11.9749 BFGS: 480 15:00:54 -1511.349495 11.8069 BFGS: 481 15:00:55 -1511.655837 11.5939 BFGS: 482 15:00:55 -1511.958897 11.4245 BFGS: 483 15:00:56 -1512.259253 11.2111 BFGS: 484 15:00:57 -1512.556741 11.0579 BFGS: 485 15:00:57 -1512.852426 10.8877 BFGS: 486 15:00:58 -1513.146469 10.7751 BFGS: 487 15:00:58 -1513.440325 10.6660 BFGS: 488 15:00:59 -1513.734305 10.6005 BFGS: 489 15:00:59 -1514.029950 10.5543 BFGS: 490 15:00:59 -1514.327716 10.5220 BFGS: 491 15:00:59 -1514.629045 10.5230 BFGS: 492 15:01:00 -1514.934043 10.5103 BFGS: 493 15:01:01 -1515.244155 10.5244 BFGS: 494 15:01:01 -1515.559101 10.5002 BFGS: 495 15:01:02 -1515.865484 10.6753 BFGS: 496 15:01:03 -1516.177380 10.9487 BFGS: 497 15:01:03 -1516.556303 11.1777 BFGS: 498 15:01:04 -1517.068507 11.0439 BFGS: 499 15:01:04 -1517.591374 11.0569 BFGS: 500 15:01:05 -1518.116532 11.5529 BFGS: 501 15:01:06 -1518.656342 12.0384 BFGS: 502 15:01:06 -1519.226493 12.5394 BFGS: 503 15:01:06 -1519.862250 13.2118 BFGS: 504 15:01:07 -1520.588485 13.4996 BFGS: 505 15:01:08 -1521.156551 12.8761 BFGS: 506 15:01:09 -1522.180871 14.4717 BFGS: 507 15:01:09 -1523.584630 16.7841 BFGS: 508 15:01:10 -1525.598005 19.3502 BFGS: 509 15:01:10 -1528.338616 21.7418 BFGS: 510 15:01:10 -1531.613815 22.4035 BFGS: 511 15:01:11 -1534.266051 21.4330 BFGS: 512 15:01:12 -1536.239254 21.6207 BFGS: 513 15:01:13 -1537.264583 22.5855 BFGS: 514 15:01:13 -1538.195754 23.2481 BFGS: 515 15:01:14 -1539.092047 23.8377 BFGS: 516 15:01:15 -1539.988789 24.2948 BFGS: 517 15:01:15 -1540.868539 24.6673 BFGS: 518 15:01:16 -1541.747775 24.9674 BFGS: 519 15:01:17 -1542.616696 25.2164 BFGS: 520 15:01:18 -1543.485503 25.4201 BFGS: 521 15:01:18 -1544.346755 25.5897 BFGS: 522 15:01:19 -1545.207811 25.7322 BFGS: 523 15:01:19 -1546.063400 25.8498 BFGS: 524 15:01:20 -1546.920493 25.9449 BFGS: 525 15:01:20 -1547.772355 26.0223 BFGS: 526 15:01:20 -1548.624405 26.0828 BFGS: 527 15:01:21 -1549.471282 26.1290 BFGS: 528 15:01:21 -1550.321689 26.1578 BFGS: 529 15:01:21 -1551.167064 26.1749 BFGS: 530 15:01:22 -1552.015260 26.1766 BFGS: 531 15:01:22 -1552.858355 26.1701 BFGS: 532 15:01:23 -1553.700037 26.1516 BFGS: 533 15:01:24 -1554.537514 26.1149 BFGS: 534 15:01:24 -1555.377413 26.0716 BFGS: 535 15:01:25 -1556.214546 26.0162 BFGS: 536 15:01:26 -1557.053156 25.9485 BFGS: 537 15:01:26 -1557.886710 25.8717 BFGS: 538 15:01:26 -1558.721963 25.7819 BFGS: 539 15:01:27 -1559.551073 25.6847 BFGS: 540 15:01:27 -1560.381577 25.5741 BFGS: 541 15:01:28 -1561.205228 25.5152 BFGS: 542 15:01:28 -1562.028795 25.6841 BFGS: 543 15:01:28 -1562.844356 25.8688 BFGS: 544 15:01:28 -1563.662419 26.0318 BFGS: 545 15:01:28 -1564.470885 26.2117 BFGS: 546 15:01:28 -1565.280672 26.3681 BFGS: 547 15:01:29 -1566.080174 26.5439 BFGS: 548 15:01:29 -1566.879247 26.6953 BFGS: 549 15:01:30 -1567.669220 26.8667 BFGS: 550 15:01:30 -1568.457909 27.0134 BFGS: 551 15:01:31 -1569.234068 27.1800 BFGS: 552 15:01:31 -1570.012862 27.3194 BFGS: 553 15:01:32 -1570.777047 27.4827 BFGS: 554 15:01:34 -1571.541938 27.6191 BFGS: 555 15:01:35 -1572.292791 27.7753 BFGS: 556 15:01:36 -1573.043550 27.9082 BFGS: 557 15:01:37 -1573.781139 28.0556 BFGS: 558 15:01:38 -1574.516879 28.1855 BFGS: 559 15:01:38 -1575.239747 28.3293 BFGS: 560 15:01:39 -1575.961185 28.4549 BFGS: 561 15:01:40 -1576.671362 28.5923 BFGS: 562 15:01:40 -1577.378126 28.7136 BFGS: 563 15:01:41 -1578.075463 28.8447 BFGS: 564 15:01:42 -1578.768161 28.9611 BFGS: 565 15:01:42 -1579.453309 29.0859 BFGS: 566 15:01:43 -1580.131509 29.1988 BFGS: 567 15:01:44 -1580.804508 29.3179 BFGS: 568 15:01:45 -1581.471466 29.4239 BFGS: 569 15:01:46 -1582.134214 29.5358 BFGS: 570 15:01:47 -1582.789665 29.6368 BFGS: 571 15:01:48 -1583.443666 29.7452 BFGS: 572 15:01:48 -1584.088430 29.8401 BFGS: 573 15:01:49 -1584.732649 29.9495 BFGS: 574 15:01:50 -1585.367951 30.0379 BFGS: 575 15:01:50 -1586.006079 30.1383 BFGS: 576 15:01:51 -1586.632883 30.2227 BFGS: 577 15:01:51 -1587.263935 30.3173 BFGS: 578 15:01:52 -1587.884203 30.3997 BFGS: 579 15:01:52 -1588.508840 30.4881 BFGS: 580 15:01:53 -1589.123771 30.5740 BFGS: 581 15:01:54 -1589.741712 30.6543 BFGS: 582 15:01:54 -1590.352543 30.7329 BFGS: 583 15:01:55 -1590.965073 30.8098 BFGS: 584 15:01:56 -1591.571860 30.8853 BFGS: 585 15:01:56 -1592.179743 30.9582 BFGS: 586 15:01:56 -1592.783018 31.0305 BFGS: 587 15:01:57 -1593.385857 31.1001 BFGS: 588 15:01:58 -1593.985822 31.1704 BFGS: 589 15:01:58 -1594.586116 31.2364 BFGS: 590 15:01:59 -1595.183784 31.3028 BFGS: 591 15:01:59 -1595.780037 31.3655 BFGS: 592 15:02:00 -1596.375246 31.4295 BFGS: 593 15:02:01 -1596.970201 31.4899 BFGS: 594 15:02:02 -1597.562983 31.5501 BFGS: 595 15:02:02 -1598.156251 31.6069 BFGS: 596 15:02:03 -1598.747664 31.6646 BFGS: 597 15:02:03 -1599.339800 31.7186 BFGS: 598 15:02:04 -1599.930198 31.7721 BFGS: 599 15:02:04 -1600.521596 31.8218 BFGS: 600 15:02:04 -1601.109501 31.8748 BFGS: 601 15:02:04 -1601.700217 31.9215 BFGS: 602 15:02:04 -1602.284776 31.9703 BFGS: 603 15:02:04 -1602.872929 32.0162 BFGS: 604 15:02:05 -1603.457002 32.0582 BFGS: 605 15:02:05 -1604.045066 32.1706 BFGS: 606 15:02:05 -1604.634256 32.3310 BFGS: 607 15:02:05 -1605.224110 32.4911 BFGS: 608 15:02:06 -1605.813979 32.6480 BFGS: 609 15:02:06 -1606.403920 32.8018 BFGS: 610 15:02:06 -1606.993532 32.9546 BFGS: 611 15:02:07 -1607.583144 33.1044 BFGS: 612 15:02:07 -1608.173022 33.2512 BFGS: 613 15:02:08 -1608.762110 33.3971 BFGS: 614 15:02:08 -1609.352110 33.5361 BFGS: 615 15:02:09 -1609.941581 33.6770 BFGS: 616 15:02:09 -1610.531753 33.8128 BFGS: 617 15:02:10 -1611.121487 33.9434 BFGS: 618 15:02:10 -1611.710276 34.0799 BFGS: 619 15:02:11 -1612.299927 34.2003 BFGS: 620 15:02:12 -1612.882305 34.3595 BFGS: 621 15:02:13 -1613.471600 34.4645 BFGS: 622 15:02:13 -1614.057879 34.5870 BFGS: 623 15:02:14 -1614.647968 34.6518 BFGS: 624 15:02:15 -1615.234158 34.7629 BFGS: 625 15:02:16 -1615.821287 34.8508 BFGS: 626 15:02:17 -1616.408968 34.9395 BFGS: 627 15:02:17 -1616.996588 35.0236 BFGS: 628 15:02:17 -1617.583971 35.1060 BFGS: 629 15:02:19 -1618.169973 35.1873 BFGS: 630 15:02:19 -1618.758614 35.2571 BFGS: 631 15:02:21 -1619.345651 35.3240 BFGS: 632 15:02:22 -1619.933604 35.3832 BFGS: 633 15:02:23 -1620.521039 35.4379 BFGS: 634 15:02:24 -1621.108421 35.4905 BFGS: 635 15:02:24 -1621.694953 35.5360 BFGS: 636 15:02:27 -1622.282842 35.5736 BFGS: 637 15:02:28 -1622.868386 35.6123 BFGS: 638 15:02:30 -1623.455825 35.6384 BFGS: 639 15:02:32 -1624.040842 35.6656 BFGS: 640 15:02:34 -1624.627336 35.6821 BFGS: 641 15:02:35 -1625.211419 35.6988 BFGS: 642 15:02:37 -1625.796806 35.7053 BFGS: 643 15:02:38 -1626.379833 35.7118 BFGS: 644 15:02:39 -1626.964076 35.7082 BFGS: 645 15:02:39 -1627.546055 35.7045 BFGS: 646 15:02:40 -1628.129235 35.6909 BFGS: 647 15:02:41 -1628.710290 35.6773 BFGS: 648 15:02:41 -1629.292648 35.6538 BFGS: 649 15:02:42 -1629.871932 35.6354 BFGS: 650 15:02:43 -1630.453919 35.5998 BFGS: 651 15:02:44 -1631.033022 35.5695 BFGS: 652 15:02:44 -1631.614851 35.5253 BFGS: 653 15:02:45 -1632.194268 35.4891 BFGS: 654 15:02:46 -1632.775925 35.4376 BFGS: 655 15:02:47 -1633.356112 35.3885 BFGS: 656 15:02:47 -1633.938367 35.3299 BFGS: 657 15:02:48 -1634.520348 35.2704 BFGS: 658 15:02:49 -1635.103029 35.2128 BFGS: 659 15:02:50 -1635.687621 35.1412 BFGS: 660 15:02:51 -1636.272227 35.0772 BFGS: 661 15:02:51 -1636.858881 35.0016 BFGS: 662 15:02:51 -1637.446052 34.9266 BFGS: 663 15:02:52 -1638.035383 34.8499 BFGS: 664 15:02:52 -1638.625188 34.7674 BFGS: 665 15:02:53 -1639.218729 34.6780 BFGS: 666 15:02:54 -1639.812716 34.5965 BFGS: 667 15:02:54 -1640.409749 34.5026 BFGS: 668 15:02:55 -1641.006529 34.4250 BFGS: 669 15:02:56 -1641.607842 34.3264 BFGS: 670 15:02:56 -1642.210176 34.2408 BFGS: 671 15:02:57 -1642.816400 34.1429 BFGS: 672 15:02:57 -1643.422735 34.0526 BFGS: 673 15:02:59 -1644.034375 33.9529 BFGS: 674 15:03:00 -1644.645403 33.8664 BFGS: 675 15:03:00 -1645.262243 33.7674 BFGS: 676 15:03:01 -1645.878604 33.6775 BFGS: 677 15:03:02 -1646.499472 33.5839 BFGS: 678 15:03:02 -1647.120797 33.4941 BFGS: 679 15:03:03 -1647.747423 33.3921 BFGS: 680 15:03:04 -1648.373847 33.3046 BFGS: 681 15:03:05 -1649.006145 33.1928 BFGS: 682 15:03:06 -1649.635856 33.1214 BFGS: 683 15:03:06 -1650.274844 33.0015 BFGS: 684 15:03:07 -1650.909771 32.9284 BFGS: 685 15:03:08 -1651.553120 32.8156 BFGS: 686 15:03:09 -1652.192640 32.7353 BFGS: 687 15:03:10 -1652.839020 32.6342 BFGS: 688 15:03:10 -1653.484862 32.5441 BFGS: 689 15:03:11 -1654.136000 32.4519 BFGS: 690 15:03:11 -1654.787835 32.3503 BFGS: 691 15:03:12 -1655.442999 32.2555 BFGS: 692 15:03:13 -1656.099530 32.1595 BFGS: 693 15:03:13 -1656.759399 32.0610 BFGS: 694 15:03:14 -1657.420369 31.9676 BFGS: 695 15:03:15 -1658.084739 31.8668 BFGS: 696 15:03:15 -1658.749809 31.7759 BFGS: 697 15:03:16 -1659.418696 31.6731 BFGS: 698 15:03:16 -1660.085545 31.5955 BFGS: 699 15:03:17 -1660.756581 31.4928 BFGS: 700 15:03:18 -1661.427626 31.4080 BFGS: 701 15:03:19 -1662.102962 31.3041 BFGS: 702 15:03:20 -1662.777284 31.2230 BFGS: 703 15:03:20 -1663.456311 31.1166 BFGS: 704 15:03:21 -1664.133593 31.0461 BFGS: 705 15:03:22 -1664.814676 30.9338 BFGS: 706 15:03:22 -1665.493668 30.8757 BFGS: 707 15:03:23 -1666.179074 30.7545 BFGS: 708 15:03:24 -1666.859363 30.7119 BFGS: 709 15:03:24 -1667.547180 30.5893 BFGS: 710 15:03:25 -1668.229163 30.5554 BFGS: 711 15:03:25 -1668.918513 30.4282 BFGS: 712 15:03:26 -1669.602635 30.4041 BFGS: 713 15:03:26 -1670.293416 30.2922 BFGS: 714 15:03:27 -1670.980121 30.2581 BFGS: 715 15:03:27 -1671.672003 30.1671 BFGS: 716 15:03:27 -1672.361411 30.1280 BFGS: 717 15:03:27 -1673.055041 30.0457 BFGS: 718 15:03:28 -1673.747607 30.0074 BFGS: 719 15:03:28 -1674.443375 29.9387 BFGS: 720 15:03:29 -1675.137828 29.9044 BFGS: 721 15:03:30 -1675.836066 29.8417 BFGS: 722 15:03:30 -1676.531736 29.8158 BFGS: 723 15:03:31 -1677.231217 29.7615 BFGS: 724 15:03:31 -1677.930562 29.7279 BFGS: 725 15:03:32 -1678.632939 29.6747 BFGS: 726 15:03:33 -1679.333476 29.6546 BFGS: 727 15:03:33 -1680.039849 29.5844 BFGS: 728 15:03:34 -1680.745388 29.5623 BFGS: 729 15:03:35 -1681.455002 29.4896 BFGS: 730 15:03:35 -1682.164882 29.4629 BFGS: 731 15:03:36 -1682.879904 29.3828 BFGS: 732 15:03:37 -1683.595189 29.3481 BFGS: 733 15:03:37 -1684.316465 29.2541 BFGS: 734 15:03:38 -1685.037526 29.2073 BFGS: 735 15:03:38 -1685.764470 29.1026 BFGS: 736 15:03:39 -1686.493996 29.0323 BFGS: 737 15:03:39 -1687.229435 28.9086 BFGS: 738 15:03:40 -1687.966977 28.8229 BFGS: 739 15:03:41 -1688.712367 28.6657 BFGS: 740 15:03:41 -1689.458155 28.5810 BFGS: 741 15:03:42 -1690.212306 28.3785 BFGS: 742 15:03:43 -1690.968255 28.2782 BFGS: 743 15:03:44 -1691.735220 28.0182 BFGS: 744 15:03:44 -1692.499352 27.9402 BFGS: 745 15:03:45 -1693.279551 27.6196 BFGS: 746 15:03:46 -1694.055399 27.5327 BFGS: 747 15:03:47 -1694.848723 27.1780 BFGS: 748 15:03:48 -1695.636135 27.0770 BFGS: 749 15:03:49 -1696.442064 26.7032 BFGS: 750 15:03:49 -1697.244671 26.5653 BFGS: 751 15:03:50 -1698.058751 26.4200 BFGS: 752 15:03:51 -1698.871865 26.5914 BFGS: 753 15:03:52 -1699.697087 26.7776 BFGS: 754 15:03:54 -1700.521642 26.9473 BFGS: 755 15:03:56 -1701.353933 27.1258 BFGS: 756 15:03:57 -1702.190337 27.2980 BFGS: 757 15:03:59 -1703.030696 27.4657 BFGS: 758 15:04:00 -1703.876026 27.6371 BFGS: 759 15:04:02 -1704.721763 27.7969 BFGS: 760 15:04:04 -1705.574537 27.9697 BFGS: 761 15:04:05 -1706.423036 28.1144 BFGS: 762 15:04:07 -1707.279587 28.2915 BFGS: 763 15:04:08 -1708.129152 28.4311 BFGS: 764 15:04:09 -1708.988091 28.6071 BFGS: 765 15:04:09 -1709.837313 28.7440 BFGS: 766 15:04:10 -1710.696770 28.9168 BFGS: 767 15:04:11 -1711.542075 29.0479 BFGS: 768 15:04:12 -1712.399101 29.2209 BFGS: 769 15:04:13 -1713.237998 29.3471 BFGS: 770 15:04:13 -1714.088049 29.5169 BFGS: 771 15:04:14 -1714.919775 29.6415 BFGS: 772 15:04:14 -1715.759452 29.8008 BFGS: 773 15:04:15 -1716.583149 29.9300 BFGS: 774 15:04:15 -1717.410998 30.0823 BFGS: 775 15:04:15 -1718.225262 30.2144 BFGS: 776 15:04:15 -1719.039052 30.3595 BFGS: 777 15:04:16 -1719.841200 30.4969 BFGS: 778 15:04:16 -1720.640043 30.6350 BFGS: 779 15:04:16 -1721.429259 30.7758 BFGS: 780 15:04:17 -1722.213583 30.9071 BFGS: 781 15:04:18 -1722.989284 31.0497 BFGS: 782 15:04:18 -1723.757271 31.1754 BFGS: 783 15:04:19 -1724.518926 31.3183 BFGS: 784 15:04:20 -1725.270731 31.4378 BFGS: 785 15:04:20 -1726.018157 31.5814 BFGS: 786 15:04:21 -1726.756004 31.7024 BFGS: 787 15:04:21 -1727.489664 31.8429 BFGS: 788 15:04:22 -1728.211648 31.9603 BFGS: 789 15:04:23 -1728.930797 32.1017 BFGS: 790 15:04:23 -1729.638646 32.2127 BFGS: 791 15:04:24 -1730.344780 32.3532 BFGS: 792 15:04:25 -1731.040354 32.4689 BFGS: 793 15:04:25 -1731.733975 32.6089 BFGS: 794 15:04:26 -1732.417641 32.7210 BFGS: 795 15:04:27 -1733.101135 32.8581 BFGS: 796 15:04:27 -1733.774846 32.9693 BFGS: 797 15:04:27 -1734.449073 33.1032 BFGS: 798 15:04:29 -1735.112680 33.2168 BFGS: 799 15:04:29 -1735.777834 33.3469 BFGS: 800 15:04:30 -1736.435814 33.4597 BFGS: 801 15:04:30 -1737.093171 33.5854 BFGS: 802 15:04:31 -1737.745833 33.6994 BFGS: 803 15:04:32 -1738.396756 33.8190 BFGS: 804 15:04:33 -1739.045398 33.9348 BFGS: 805 15:04:33 -1739.690287 34.0412 BFGS: 806 15:04:33 -1740.333656 34.1536 BFGS: 807 15:04:34 -1740.986258 34.3109 BFGS: 808 15:04:35 -1741.725028 34.5412 BFGS: 809 15:04:35 -1742.479259 34.7325 BFGS: 810 15:04:36 -1743.245751 34.8129 BFGS: 811 15:04:37 -1744.061282 34.9158 BFGS: 812 15:04:38 -1744.922413 34.9703 BFGS: 813 15:04:38 -1745.827534 35.0411 BFGS: 814 15:04:39 -1746.771592 35.0805 BFGS: 815 15:04:40 -1747.748398 35.1363 BFGS: 816 15:04:41 -1748.748697 35.1752 BFGS: 817 15:04:41 -1749.766475 35.2327 BFGS: 818 15:04:42 -1750.794111 35.2808 BFGS: 819 15:04:43 -1751.829991 35.3422 BFGS: 820 15:04:43 -1752.868053 35.4122 BFGS: 821 15:04:44 -1753.908450 35.4916 BFGS: 822 15:04:45 -1754.947327 35.5732 BFGS: 823 15:04:46 -1755.987578 35.6676 BFGS: 824 15:04:47 -1757.025013 35.7636 BFGS: 825 15:04:47 -1758.064491 35.8736 BFGS: 826 15:04:47 -1759.100201 35.9832 BFGS: 827 15:04:48 -1760.138651 36.1118 BFGS: 828 15:04:49 -1761.173093 36.2346 BFGS: 829 15:04:50 -1762.211254 36.3769 BFGS: 830 15:04:50 -1763.247042 36.5233 BFGS: 831 15:04:51 -1764.283342 36.6799 BFGS: 832 15:04:52 -1765.323636 36.8575 BFGS: 833 15:04:53 -1766.365445 37.0492 BFGS: 834 15:04:53 -1767.391884 37.3382 BFGS: 835 15:04:54 -1768.381629 37.5888 BFGS: 836 15:04:54 -1769.543265 37.7518 BFGS: 837 15:04:55 -1770.695551 37.9005 BFGS: 838 15:04:56 -1772.120067 37.8337 BFGS: 839 15:04:56 -1773.619753 37.5965 BFGS: 840 15:04:57 -1775.331119 37.2082 BFGS: 841 15:04:58 -1777.042447 36.7023 BFGS: 842 15:04:58 -1779.001912 36.0132 BFGS: 843 15:04:59 -1780.974641 35.2251 BFGS: 844 15:05:00 -1783.076925 34.3963 BFGS: 845 15:05:01 -1785.183965 33.4600 BFGS: 846 15:05:01 -1787.457817 32.5032 BFGS: 847 15:05:02 -1789.745347 31.4382 BFGS: 848 15:05:03 -1792.120558 30.5084 BFGS: 849 15:05:04 -1794.537351 29.4794 BFGS: 850 15:05:04 -1797.102503 28.6256 BFGS: 851 15:05:05 -1799.719416 27.7740 BFGS: 852 15:05:06 -1802.431254 27.1705 BFGS: 853 15:05:06 -1805.253472 26.6376 BFGS: 854 15:05:07 -1808.365163 26.3213 BFGS: 855 15:05:08 -1811.568892 26.1816 BFGS: 856 15:05:09 -1814.992776 26.2826 BFGS: 857 15:05:09 -1818.488658 26.6471 BFGS: 858 15:05:10 -1822.114465 27.4817 BFGS: 859 15:05:11 -1825.664702 29.7976 BFGS: 860 15:05:12 -1829.146878 31.8613 BFGS: 861 15:05:14 -1832.405090 33.7064 BFGS: 862 15:05:15 -1835.566041 35.1760 BFGS: 863 15:05:15 -1838.548314 36.8011 BFGS: 864 15:05:16 -1841.620244 38.0349 BFGS: 865 15:05:16 -1844.475993 39.9735 BFGS: 866 15:05:17 -1847.551183 41.0483 BFGS: 867 15:05:18 -1850.367036 43.2009 BFGS: 868 15:05:19 -1853.301011 44.0909 BFGS: 869 15:05:21 -1856.121290 45.7573 BFGS: 870 15:05:22 -1859.003263 46.3042 BFGS: 871 15:05:23 -1861.898236 47.2574 BFGS: 872 15:05:25 -1864.874622 47.2168 BFGS: 873 15:05:27 -1867.918186 47.4708 BFGS: 874 15:05:29 -1871.062639 46.6364 BFGS: 875 15:05:31 -1874.283006 46.2913 BFGS: 876 15:05:32 -1877.629829 44.7089 BFGS: 877 15:05:33 -1881.013954 43.7602 BFGS: 878 15:05:34 -1884.537731 42.4375 BFGS: 879 15:05:36 -1887.999960 39.5383 BFGS: 880 15:05:37 -1891.638390 40.2179 BFGS: 881 15:05:37 -1895.377674 36.4077 BFGS: 882 15:05:38 -1899.059028 36.6028 BFGS: 883 15:05:39 -1902.873400 37.0318 BFGS: 884 15:05:39 -1906.606393 36.8969 BFGS: 885 15:05:40 -1910.363172 35.3797 BFGS: 886 15:05:41 -1914.074349 33.2223 BFGS: 887 15:05:41 -1917.870457 34.7990 BFGS: 888 15:05:42 -1921.763626 35.8626 BFGS: 889 15:05:42 -1925.764306 36.2685 BFGS: 890 15:05:43 -1929.890894 36.5290 BFGS: 891 15:05:43 -1933.910018 36.1065 BFGS: 892 15:05:44 -1938.063583 36.0739 BFGS: 893 15:05:44 -1942.004641 35.5990 BFGS: 894 15:05:45 -1946.082319 35.5584 BFGS: 895 15:05:46 -1949.921541 35.3049 BFGS: 896 15:05:46 -1953.863129 35.3534 BFGS: 897 15:05:47 -1957.486299 35.2340 BFGS: 898 15:05:48 -1961.058386 35.1195 BFGS: 899 15:05:49 -1964.229398 34.6437 BFGS: 900 15:05:49 -1967.143441 34.0017 BFGS: 901 15:05:50 -1969.913366 32.4117 BFGS: 902 15:05:51 -1972.374432 31.0761 BFGS: 903 15:05:52 -1974.849610 28.0938 BFGS: 904 15:05:52 -1976.919292 25.9698 BFGS: 905 15:05:53 -1978.861779 22.4494 BFGS: 906 15:05:53 -1980.478559 19.8700 BFGS: 907 15:05:54 -1981.977329 19.5919 BFGS: 908 15:05:54 -1983.348577 20.0537 BFGS: 909 15:05:54 -1984.678741 20.6647 BFGS: 910 15:05:54 -1985.976057 21.6554 BFGS: 911 15:05:55 -1987.271181 22.2744 BFGS: 912 15:05:56 -1988.559512 22.5789 BFGS: 913 15:05:56 -1989.852129 22.6905 BFGS: 914 15:05:57 -1991.138750 22.6779 BFGS: 915 15:05:58 -1992.431967 22.9393 BFGS: 916 15:05:59 -1993.723855 23.1963 BFGS: 917 15:06:00 -1995.015213 23.3154 BFGS: 918 15:06:01 -1996.306391 23.4531 BFGS: 919 15:06:01 -1997.589536 23.4122 BFGS: 920 15:06:02 -1998.871204 23.3744 BFGS: 921 15:06:03 -2000.143023 23.1500 BFGS: 922 15:06:04 -2001.408550 22.9185 BFGS: 923 15:06:04 -2002.656574 23.0944 BFGS: 924 15:06:04 -2003.894469 23.6611 BFGS: 925 15:06:04 -2005.110921 24.1908 BFGS: 926 15:06:04 -2006.316791 24.7247 BFGS: 927 15:06:05 -2007.499201 25.2244 BFGS: 928 15:06:05 -2008.674239 25.7251 BFGS: 929 15:06:06 -2009.824365 26.1982 BFGS: 930 15:06:06 -2010.976059 26.6737 BFGS: 931 15:06:07 -2012.109412 27.1337 BFGS: 932 15:06:08 -2013.252652 27.5971 BFGS: 933 15:06:08 -2014.384566 28.0678 BFGS: 934 15:06:09 -2015.546064 28.5604 BFGS: 935 15:06:10 -2016.758284 28.8780 BFGS: 936 15:06:11 -2017.927699 29.2559 BFGS: 937 15:06:12 -2019.096436 29.6354 BFGS: 938 15:06:13 -2020.262584 30.0216 BFGS: 939 15:06:14 -2021.457894 30.3868 BFGS: 940 15:06:14 -2022.621976 30.6229 BFGS: 941 15:06:15 -2023.835885 30.7908 BFGS: 942 15:06:16 -2025.086742 30.8606 BFGS: 943 15:06:16 -2026.375741 30.8082 BFGS: 944 15:06:17 -2027.683865 30.6382 BFGS: 945 15:06:17 -2029.002941 30.4085 BFGS: 946 15:06:18 -2030.323190 30.1508 BFGS: 947 15:06:19 -2031.643570 29.8624 BFGS: 948 15:06:19 -2032.962123 29.5446 BFGS: 949 15:06:20 -2034.281164 29.2029 BFGS: 950 15:06:21 -2035.600969 28.8305 BFGS: 951 15:06:21 -2036.921266 28.4333 BFGS: 952 15:06:22 -2038.243425 28.0126 BFGS: 953 15:06:23 -2039.567581 27.5636 BFGS: 954 15:06:24 -2040.893289 27.0890 BFGS: 955 15:06:25 -2042.220309 26.5818 BFGS: 956 15:06:25 -2043.548949 26.0526 BFGS: 957 15:06:26 -2044.878117 25.4914 BFGS: 958 15:06:27 -2046.207825 24.9071 BFGS: 959 15:06:28 -2047.535698 24.2906 BFGS: 960 15:06:28 -2048.863316 23.6539 BFGS: 961 15:06:29 -2050.185704 22.9827 BFGS: 962 15:06:30 -2051.506234 22.3008 BFGS: 963 15:06:30 -2052.817271 21.5794 BFGS: 964 15:06:31 -2054.122939 20.8485 BFGS: 965 15:06:32 -2055.417400 20.0919 BFGS: 966 15:06:32 -2056.701456 19.3287 BFGS: 967 15:06:33 -2057.965896 18.5406 BFGS: 968 15:06:34 -2059.219508 17.7530 BFGS: 969 15:06:34 -2060.450894 16.9504 BFGS: 970 15:06:35 -2061.667216 16.9854 BFGS: 971 15:06:36 -2062.861836 17.0278 BFGS: 972 15:06:37 -2064.038579 17.0373 BFGS: 973 15:06:38 -2065.200733 17.5554 BFGS: 974 15:06:39 -2066.332235 17.5510 BFGS: 975 15:06:40 -2067.467344 18.2989 BFGS: 976 15:06:40 -2068.556596 18.3396 BFGS: 977 15:06:41 -2069.643329 18.6649 BFGS: 978 15:06:41 -2070.685537 18.9840 BFGS: 979 15:06:42 -2071.733552 19.0648 BFGS: 980 15:06:43 -2072.745635 19.5182 BFGS: 981 15:06:44 -2073.765094 19.5077 BFGS: 982 15:06:45 -2074.754661 19.9445 BFGS: 983 15:06:46 -2075.755137 19.9563 BFGS: 984 15:06:46 -2076.733805 20.3394 BFGS: 985 15:06:48 -2077.724959 20.4109 BFGS: 986 15:06:48 -2078.705772 20.7548 BFGS: 987 15:06:49 -2079.698367 20.8814 BFGS: 988 15:06:50 -2080.689847 21.2062 BFGS: 989 15:06:50 -2081.695063 21.3777 BFGS: 990 15:06:51 -2082.706679 21.7078 BFGS: 991 15:06:51 -2083.733438 21.9261 BFGS: 992 15:06:52 -2084.772523 22.2752 BFGS: 993 15:06:53 -2085.829861 22.5371 BFGS: 994 15:06:53 -2086.906001 22.9237 BFGS: 995 15:06:54 -2088.001799 23.2243 BFGS: 996 15:06:54 -2089.120055 23.6480 BFGS: 997 15:06:54 -2090.259260 23.9630 BFGS: 998 15:06:54 -2091.427779 24.4332 BFGS: 999 15:06:56 -2092.618790 24.7393 BFGS: 1000 15:06:57 -2093.842754 25.2043 BFGS: 1001 15:06:58 -2095.081507 25.4466 BFGS: 1002 15:06:59 -2096.359513 25.8340 BFGS: 1003 15:06:59 -2097.636720 25.9720 BFGS: 1004 15:07:00 -2098.950163 26.2373 BFGS: 1005 15:07:01 -2100.250984 26.2826 BFGS: 1006 15:07:02 -2101.587688 26.3929 BFGS: 1007 15:07:03 -2102.903399 26.3916 BFGS: 1008 15:07:03 -2104.259331 26.3362 BFGS: 1009 15:07:04 -2105.595270 26.3194 BFGS: 1010 15:07:04 -2106.975508 26.0859 BFGS: 1011 15:07:04 -2108.337703 26.0440 BFGS: 1012 15:07:04 -2109.750795 25.5945 BFGS: 1013 15:07:04 -2111.146946 25.5112 BFGS: 1014 15:07:05 -2112.602234 24.7424 BFGS: 1015 15:07:05 -2114.036528 24.6162 BFGS: 1016 15:07:05 -2115.548523 24.0924 BFGS: 1017 15:07:05 -2117.031859 23.7706 BFGS: 1018 15:07:05 -2118.636047 23.4677 BFGS: 1019 15:07:06 -2120.211377 23.0134 BFGS: 1020 15:07:07 -2121.959682 22.5197 BFGS: 1021 15:07:08 -2123.720147 21.8862 BFGS: 1022 15:07:09 -2125.718093 20.9768 BFGS: 1023 15:07:09 -2127.877910 19.7397 BFGS: 1024 15:07:10 -2130.380152 17.7392 BFGS: 1025 15:07:11 -2133.149818 19.1390 BFGS: 1026 15:07:12 -2135.679881 20.4693 BFGS: 1027 15:07:13 -2138.251932 20.3460 BFGS: 1028 15:07:14 -2141.088311 19.5645 BFGS: 1029 15:07:15 -2144.413292 16.3544 BFGS: 1030 15:07:16 -2147.405270 15.6510 BFGS: 1031 15:07:17 -2149.539954 23.5888 BFGS: 1032 15:07:18 -2152.522702 19.6135 BFGS: 1033 15:07:18 -2154.785047 15.9896 BFGS: 1034 15:07:19 -2156.167423 14.8628 BFGS: 1035 15:07:19 -2157.390673 14.6476 BFGS: 1036 15:07:20 -2158.584003 14.8764 BFGS: 1037 15:07:21 -2159.801218 15.1267 BFGS: 1038 15:07:22 -2161.043341 15.5533 BFGS: 1039 15:07:23 -2162.325907 16.0484 BFGS: 1040 15:07:23 -2163.636815 16.5730 BFGS: 1041 15:07:24 -2164.965379 17.1215 BFGS: 1042 15:07:25 -2166.296878 17.7177 BFGS: 1043 15:07:26 -2167.624740 18.3647 BFGS: 1044 15:07:27 -2168.936676 19.0497 BFGS: 1045 15:07:28 -2170.231164 19.7698 BFGS: 1046 15:07:28 -2171.500703 20.5332 BFGS: 1047 15:07:30 -2172.740500 21.3562 BFGS: 1048 15:07:30 -2173.944262 22.2291 BFGS: 1049 15:07:31 -2175.106485 23.1388 BFGS: 1050 15:07:32 -2176.229337 24.1083 BFGS: 1051 15:07:32 -2177.312011 25.1330 BFGS: 1052 15:07:33 -2178.358076 26.2072 BFGS: 1053 15:07:34 -2179.373401 27.3238 BFGS: 1054 15:07:35 -2180.373351 28.4809 BFGS: 1055 15:07:35 -2181.363903 29.6585 BFGS: 1056 15:07:36 -2182.367036 30.8429 BFGS: 1057 15:07:37 -2183.384341 32.0331 BFGS: 1058 15:07:37 -2184.427686 33.1724 BFGS: 1059 15:07:38 -2185.502932 34.3065 BFGS: 1060 15:07:39 -2186.605724 35.3997 BFGS: 1061 15:07:39 -2187.736112 36.4885 BFGS: 1062 15:07:39 -2188.890032 37.5415 BFGS: 1063 15:07:40 -2190.064864 38.6096 BFGS: 1064 15:07:41 -2191.261915 39.6591 BFGS: 1065 15:07:41 -2192.476681 40.7246 BFGS: 1066 15:07:42 -2193.705138 41.7999 BFGS: 1067 15:07:42 -2194.945095 42.9051 BFGS: 1068 15:07:43 -2196.193230 44.0346 BFGS: 1069 15:07:44 -2197.447197 45.1984 BFGS: 1070 15:07:44 -2198.711213 46.3987 BFGS: 1071 15:07:45 -2199.986568 47.6370 BFGS: 1072 15:07:46 -2201.274860 48.9036 BFGS: 1073 15:07:47 -2202.572642 50.2041 BFGS: 1074 15:07:48 -2203.890700 51.5232 BFGS: 1075 15:07:48 -2205.224029 52.8744 BFGS: 1076 15:07:48 -2206.577367 54.2547 BFGS: 1077 15:07:49 -2207.949432 55.6611 BFGS: 1078 15:07:50 -2209.345728 57.0740 BFGS: 1079 15:07:51 -2210.766053 58.4934 BFGS: 1080 15:07:52 -2212.220590 59.9353 BFGS: 1081 15:07:53 -2213.706107 61.3299 BFGS: 1082 15:07:54 -2215.238401 62.7907 BFGS: 1083 15:07:55 -2216.817925 64.0961 BFGS: 1084 15:07:55 -2218.465413 65.5208 BFGS: 1085 15:07:56 -2220.175500 66.6885 BFGS: 1086 15:07:58 -2222.006105 67.9389 BFGS: 1087 15:07:58 -2223.920366 68.9084 BFGS: 1088 15:07:59 -2226.056336 69.7644 BFGS: 1089 15:08:00 -2228.305265 70.3959 BFGS: 1090 15:08:01 -2230.889021 70.5712 BFGS: 1091 15:08:02 -2233.636371 70.6326 BFGS: 1092 15:08:02 -2236.692462 69.9703 BFGS: 1093 15:08:03 -2240.215795 69.1329 BFGS: 1094 15:08:04 -2243.954145 67.7978 BFGS: 1095 15:08:04 -2248.214071 66.1846 BFGS: 1096 15:08:05 -2252.730499 64.3279 BFGS: 1097 15:08:06 -2257.893182 62.1573 BFGS: 1098 15:08:07 -2263.545067 59.7822 BFGS: 1099 15:08:08 -2269.772088 57.1510 BFGS: 1100 15:08:09 -2275.974138 54.5637 BFGS: 1101 15:08:09 -2282.148524 52.1622 BFGS: 1102 15:08:10 -2288.790286 51.8527 BFGS: 1103 15:08:11 -2296.029924 53.7504 BFGS: 1104 15:08:11 -2304.150706 54.3212 BFGS: 1105 15:08:12 -2312.084975 53.0017 BFGS: 1106 15:08:13 -2320.884103 52.6142 BFGS: 1107 15:08:15 -2328.307013 50.7179 BFGS: 1108 15:08:16 -2337.415214 49.7467 BFGS: 1109 15:08:17 -2344.514157 47.7926 BFGS: 1110 15:08:17 -2353.077225 46.9037 BFGS: 1111 15:08:19 -2360.545682 48.4034 BFGS: 1112 15:08:20 -2368.850909 50.1827 BFGS: 1113 15:08:21 -2376.518237 51.8292 BFGS: 1114 15:08:22 -2384.900793 52.7200 BFGS: 1115 15:08:23 -2392.602812 53.2193 BFGS: 1116 15:08:23 -2401.247878 52.6414 BFGS: 1117 15:08:24 -2408.785912 51.4812 BFGS: 1118 15:08:25 -2417.152051 48.7072 BFGS: 1119 15:08:26 -2424.682031 45.1581 BFGS: 1120 15:08:27 -2431.612234 40.5720 BFGS: 1121 15:08:27 -2438.170987 44.9343 BFGS: 1122 15:08:28 -2444.044218 46.4090 BFGS: 1123 15:08:29 -2449.498479 42.8170 BFGS: 1124 15:08:30 -2457.838099 43.6083 BFGS: 1125 15:08:31 -2461.410939 43.5684 BFGS: 1126 15:08:31 -2466.169500 45.1783 BFGS: 1127 15:08:32 -2469.866211 45.7605 BFGS: 1128 15:08:33 -2474.166618 45.9429 BFGS: 1129 15:08:34 -2478.249333 46.0817 BFGS: 1130 15:08:35 -2482.711813 45.4108 BFGS: 1131 15:08:36 -2487.050146 44.9895 BFGS: 1132 15:08:38 -2491.808088 43.4487 BFGS: 1133 15:08:40 -2496.301914 45.0612 BFGS: 1134 15:08:40 -2501.343124 42.9642 BFGS: 1135 15:08:41 -2506.194437 42.9346 BFGS: 1136 15:08:42 -2511.771011 40.9582 BFGS: 1137 15:08:43 -2517.570531 42.8591 BFGS: 1138 15:08:43 -2524.045890 42.7562 BFGS: 1139 15:08:44 -2529.929281 42.0323 BFGS: 1140 15:08:45 -2536.224925 40.1018 BFGS: 1141 15:08:46 -2544.455970 37.2793 BFGS: 1142 15:08:47 -2553.075543 38.1909 BFGS: 1143 15:08:48 -2560.920138 46.5316 BFGS: 1144 15:08:49 -2568.952737 45.9239 BFGS: 1145 15:08:51 -2578.369359 50.1750 BFGS: 1146 15:08:52 -2586.654202 41.5907 BFGS: 1147 15:08:53 -2592.049952 39.2413 BFGS: 1148 15:08:53 -2598.526280 29.5974 BFGS: 1149 15:08:54 -2602.060820 23.6596 BFGS: 1150 15:08:55 -2604.277662 20.2961 BFGS: 1151 15:08:55 -2606.656519 17.9471 BFGS: 1152 15:08:56 -2609.300174 21.8872 BFGS: 1153 15:08:57 -2611.343421 22.2762 BFGS: 1154 15:08:58 -2613.402757 21.2623 BFGS: 1155 15:08:59 -2615.382217 19.0948 BFGS: 1156 15:09:00 -2617.377825 20.1767 BFGS: 1157 15:09:01 -2619.217652 17.3658 BFGS: 1158 15:09:02 -2620.595385 13.6998 BFGS: 1159 15:09:03 -2621.914343 12.9302 BFGS: 1160 15:09:04 -2623.425693 14.7763 BFGS: 1161 15:09:05 -2624.906965 16.1292 BFGS: 1162 15:09:06 -2626.610048 16.9559 BFGS: 1163 15:09:07 -2628.981956 18.3766 BFGS: 1164 15:09:08 -2631.463725 16.9049 BFGS: 1165 15:09:09 -2633.968278 16.6931 BFGS: 1166 15:09:10 -2636.457964 13.0646 BFGS: 1167 15:09:10 -2638.442778 13.5401 BFGS: 1168 15:09:12 -2640.041346 13.9735 BFGS: 1169 15:09:13 -2641.469963 13.9467 BFGS: 1170 15:09:14 -2642.847081 13.0780 BFGS: 1171 15:09:15 -2644.133057 12.7366 BFGS: 1172 15:09:16 -2645.444529 12.4697 BFGS: 1173 15:09:18 -2646.693002 15.0717 BFGS: 1174 15:09:19 -2647.907333 18.0747 BFGS: 1175 15:09:20 -2649.261212 20.2575 BFGS: 1176 15:09:21 -2650.698956 21.7407 BFGS: 1177 15:09:22 -2652.318360 22.4260 BFGS: 1178 15:09:23 -2653.899568 22.5612 BFGS: 1179 15:09:24 -2655.590990 22.2079 BFGS: 1180 15:09:25 -2657.080602 21.7238 BFGS: 1181 15:09:26 -2658.654135 21.0718 BFGS: 1182 15:09:27 -2659.996019 20.6008 BFGS: 1183 15:09:28 -2661.401296 20.1226 BFGS: 1184 15:09:30 -2662.666897 19.8877 BFGS: 1185 15:09:31 -2663.961159 19.7125 BFGS: 1186 15:09:32 -2665.200789 19.7106 BFGS: 1187 15:09:33 -2666.459358 19.7657 BFGS: 1188 15:09:34 -2667.699034 20.6147 BFGS: 1189 15:09:35 -2668.959194 21.7184 BFGS: 1190 15:09:36 -2670.223415 22.8798 BFGS: 1191 15:09:38 -2671.519441 23.9750 BFGS: 1192 15:09:38 -2672.844377 25.0705 BFGS: 1193 15:09:39 -2674.224350 26.1069 BFGS: 1194 15:09:39 -2675.661023 27.1175 BFGS: 1195 15:09:40 -2677.182340 28.0452 BFGS: 1196 15:09:41 -2678.789977 28.9505 BFGS: 1197 15:09:42 -2680.509581 29.6892 BFGS: 1198 15:09:43 -2682.321277 30.4784 BFGS: 1199 15:09:44 -2684.258568 30.8399 BFGS: 1200 15:09:45 -2686.241492 31.5891 BFGS: 1201 15:09:46 -2688.316057 31.2017 BFGS: 1202 15:09:47 -2690.377907 32.1056 BFGS: 1203 15:09:49 -2692.438191 32.1361 BFGS: 1204 15:09:50 -2694.516623 32.3586 BFGS: 1205 15:09:51 -2696.589350 33.0537 BFGS: 1206 15:09:51 -2698.722122 32.6638 BFGS: 1207 15:09:53 -2700.788117 33.2675 BFGS: 1208 15:09:53 -2702.964769 31.8943 BFGS: 1209 15:09:55 -2705.138215 31.9733 BFGS: 1210 15:09:56 -2707.375980 30.8589 BFGS: 1211 15:09:57 -2709.792095 30.0271 BFGS: 1212 15:09:58 -2712.204158 28.9005 BFGS: 1213 15:09:59 -2714.895579 27.7320 BFGS: 1214 15:10:00 -2717.500529 26.5415 BFGS: 1215 15:10:01 -2720.348565 25.3368 BFGS: 1216 15:10:02 -2723.176618 23.7772 BFGS: 1217 15:10:03 -2726.271206 24.6204 BFGS: 1218 15:10:05 -2729.838281 24.8272 BFGS: 1219 15:10:06 -2735.105960 26.9599 BFGS: 1220 15:10:07 -2740.038629 28.4967 BFGS: 1221 15:10:08 -2745.001708 31.7037 BFGS: 1222 15:10:09 -2749.918842 33.0173 BFGS: 1223 15:10:11 -2755.637955 34.5401 BFGS: 1224 15:10:12 -2761.368581 34.5144 BFGS: 1225 15:10:15 -2766.816814 36.0977 BFGS: 1226 15:10:16 -2771.296350 39.1522 BFGS: 1227 15:10:17 -2776.209321 50.0322 BFGS: 1228 15:10:19 -2781.453971 50.6866 BFGS: 1229 15:10:20 -2787.039473 52.8474 BFGS: 1230 15:10:21 -2792.879466 50.8705 BFGS: 1231 15:10:22 -2798.839375 49.1104 BFGS: 1232 15:10:23 -2805.083633 43.2054 BFGS: 1233 15:10:25 -2811.151445 35.6475 BFGS: 1234 15:10:26 -2817.804559 24.3629 BFGS: 1235 15:10:26 -2821.921369 20.6778 BFGS: 1236 15:10:27 -2823.949776 25.6543 BFGS: 1237 15:10:28 -2826.986103 24.7830 BFGS: 1238 15:10:28 -2830.302181 22.9577 BFGS: 1239 15:10:29 -2833.369720 18.7200 BFGS: 1240 15:10:30 -2836.335875 14.2105 BFGS: 1241 15:10:31 -2838.999661 15.4564 BFGS: 1242 15:10:32 -2841.355752 15.6011 BFGS: 1243 15:10:34 -2843.633175 13.9769 BFGS: 1244 15:10:36 -2845.737860 16.3077 BFGS: 1245 15:10:37 -2847.047811 17.3663 BFGS: 1246 15:10:39 -2848.617788 18.8211 BFGS: 1247 15:10:40 -2850.341776 18.1044 BFGS: 1248 15:10:42 -2852.440296 15.6616 BFGS: 1249 15:10:42 -2854.411351 14.2688 BFGS: 1250 15:10:43 -2856.196935 11.9990 BFGS: 1251 15:10:44 -2857.647134 13.1759 BFGS: 1252 15:10:45 -2859.579466 14.6594 BFGS: 1253 15:10:46 -2861.552606 16.0715 BFGS: 1254 15:10:46 -2863.552710 16.2258 BFGS: 1255 15:10:47 -2865.646457 15.4491 BFGS: 1256 15:10:47 -2867.525962 17.9263 BFGS: 1257 15:10:48 -2869.801990 20.0352 BFGS: 1258 15:10:49 -2871.900717 20.8375 BFGS: 1259 15:10:51 -2874.229121 21.7415 BFGS: 1260 15:10:52 -2876.286720 20.6667 BFGS: 1261 15:10:53 -2878.643107 24.7835 BFGS: 1262 15:10:54 -2881.049567 23.3608 BFGS: 1263 15:10:55 -2884.019870 25.1787 BFGS: 1264 15:10:56 -2886.177623 21.3673 BFGS: 1265 15:10:58 -2889.097957 15.7925 BFGS: 1266 15:11:00 -2891.327682 16.1020 BFGS: 1267 15:11:00 -2893.755387 16.1441 BFGS: 1268 15:11:02 -2895.716607 15.4455 BFGS: 1269 15:11:03 -2897.877508 17.1673 BFGS: 1270 15:11:05 -2899.782086 18.7286 BFGS: 1271 15:11:06 -2901.990841 19.4035 BFGS: 1272 15:11:08 -2904.000963 18.8680 BFGS: 1273 15:11:09 -2906.186985 17.9819 BFGS: 1274 15:11:09 -2908.020684 15.3640 BFGS: 1275 15:11:10 -2909.692914 13.2112 BFGS: 1276 15:11:11 -2910.768437 12.3661 BFGS: 1277 15:11:14 -2911.652489 16.0758 BFGS: 1278 15:11:15 -2912.318886 14.8898 BFGS: 1279 15:11:16 -2913.290230 14.7649 BFGS: 1280 15:11:18 -2914.365112 13.5381 BFGS: 1281 15:11:20 -2915.635174 14.0411 BFGS: 1282 15:11:22 -2916.788062 14.8363 BFGS: 1283 15:11:23 -2917.761240 14.3479 BFGS: 1284 15:11:23 -2918.743123 12.9794 BFGS: 1285 15:11:25 -2919.637388 12.8114 BFGS: 1286 15:11:27 -2920.512850 13.6066 BFGS: 1287 15:11:28 -2921.271965 14.2464 BFGS: 1288 15:11:30 -2921.998731 15.1290 BFGS: 1289 15:11:31 -2922.619430 15.7350 BFGS: 1290 15:11:32 -2923.283949 16.5865 BFGS: 1291 15:11:33 -2923.927857 16.9065 BFGS: 1292 15:11:34 -2924.758309 17.3455 BFGS: 1293 15:11:35 -2925.560069 17.0916 BFGS: 1294 15:11:36 -2926.388034 16.5690 BFGS: 1295 15:11:37 -2926.993165 15.3465 BFGS: 1296 15:11:38 -2927.424825 14.8747 BFGS: 1297 15:11:40 -2927.730230 14.2369 BFGS: 1298 15:11:40 -2927.996366 14.1755 BFGS: 1299 15:11:42 -2928.272256 13.6861 BFGS: 1300 15:11:43 -2928.552097 13.1208 BFGS: 1301 15:11:45 -2928.980754 13.3850 BFGS: 1302 15:11:46 -2929.503642 14.2722 BFGS: 1303 15:11:47 -2930.099685 13.7432 BFGS: 1304 15:11:48 -2930.720457 12.1305 BFGS: 1305 15:11:50 -2931.469548 10.4821 BFGS: 1306 15:11:51 -2932.147209 9.3477 BFGS: 1307 15:11:53 -2932.773353 8.3736 BFGS: 1308 15:11:54 -2933.398872 7.4627 BFGS: 1309 15:11:55 -2934.054199 8.6046 BFGS: 1310 15:11:55 -2934.650422 9.8156 BFGS: 1311 15:11:57 -2935.097762 9.7362 BFGS: 1312 15:11:58 -2935.587431 8.1520 BFGS: 1313 15:12:00 -2936.016551 7.9240 BFGS: 1314 15:12:01 -2936.498759 8.1312 BFGS: 1315 15:12:03 -2937.045857 8.3181 BFGS: 1316 15:12:03 -2937.569026 7.4947 BFGS: 1317 15:12:05 -2938.038064 6.9283 BFGS: 1318 15:12:06 -2938.411127 6.8426 BFGS: 1319 15:12:07 -2938.727161 7.9367 BFGS: 1320 15:12:08 -2938.954818 8.2001 BFGS: 1321 15:12:09 -2939.222202 8.0773 BFGS: 1322 15:12:10 -2939.475097 7.6104 BFGS: 1323 15:12:11 -2939.967298 7.3915 BFGS: 1324 15:12:12 -2940.356348 8.7483 BFGS: 1325 15:12:13 -2940.751880 8.9564 BFGS: 1326 15:12:14 -2940.992602 8.5243 BFGS: 1327 15:12:15 -2941.407106 7.4191 BFGS: 1328 15:12:16 -2941.884462 7.9235 BFGS: 1329 15:12:17 -2942.717533 10.1601 BFGS: 1330 15:12:18 -2943.692073 12.2044 BFGS: 1331 15:12:19 -2945.421293 13.5611 BFGS: 1332 15:12:20 -2947.074711 14.9145 BFGS: 1333 15:12:20 -2948.700125 15.2363 BFGS: 1334 15:12:21 -2950.213590 15.0601 BFGS: 1335 15:12:22 -2951.593234 14.2333 BFGS: 1336 15:12:23 -2952.795028 13.2685 BFGS: 1337 15:12:23 -2953.825587 12.0125 BFGS: 1338 15:12:24 -2954.667430 10.8748 BFGS: 1339 15:12:26 -2955.363326 10.5087 BFGS: 1340 15:12:27 -2955.947390 10.7453 BFGS: 1341 15:12:28 -2956.518070 11.6157 BFGS: 1342 15:12:28 -2957.134800 12.7705 BFGS: 1343 15:12:30 -2957.910529 14.0090 BFGS: 1344 15:12:31 -2958.828050 14.9105 BFGS: 1345 15:12:32 -2960.003981 15.4906 BFGS: 1346 15:12:33 -2961.314862 15.6111 BFGS: 1347 15:12:34 -2962.913070 15.4255 BFGS: 1348 15:12:35 -2964.573055 14.6196 BFGS: 1349 15:12:36 -2966.334592 13.7514 BFGS: 1350 15:12:37 -2968.153653 11.9309 BFGS: 1351 15:12:38 -2969.492945 11.7246 BFGS: 1352 15:12:38 -2970.710342 12.9371 BFGS: 1353 15:12:40 -2971.654803 12.8099 BFGS: 1354 15:12:42 -2972.510067 13.1818 BFGS: 1355 15:12:43 -2973.273851 12.2105 BFGS: 1356 15:12:43 -2973.971491 11.8985 BFGS: 1357 15:12:44 -2974.630785 10.5699 BFGS: 1358 15:12:44 -2975.268918 9.7324 BFGS: 1359 15:12:45 -2975.972896 11.7260 BFGS: 1360 15:12:46 -2976.811686 14.0579 BFGS: 1361 15:12:47 -2977.789488 16.0804 BFGS: 1362 15:12:48 -2978.892113 18.2902 BFGS: 1363 15:12:49 -2980.103459 19.9345 BFGS: 1364 15:12:50 -2981.439260 21.7572 BFGS: 1365 15:12:51 -2983.054861 22.9973 BFGS: 1366 15:12:52 -2984.797698 24.5744 BFGS: 1367 15:12:53 -2986.988665 25.2483 BFGS: 1368 15:12:55 -2989.186800 26.4602 BFGS: 1369 15:12:56 -2991.812530 25.7805 BFGS: 1370 15:12:57 -2994.152267 25.2704 BFGS: 1371 15:12:59 -2997.281241 22.7460 BFGS: 1372 15:13:00 -2999.471528 19.9958 BFGS: 1373 15:13:01 -3001.680795 19.5462 BFGS: 1374 15:13:02 -3004.330563 19.2810 BFGS: 1375 15:13:03 -3006.352175 19.7071 BFGS: 1376 15:13:03 -3008.962950 21.7090 BFGS: 1377 15:13:04 -3011.134394 22.3428 BFGS: 1378 15:13:05 -3014.334355 22.4929 BFGS: 1379 15:13:07 -3016.604309 23.2912 BFGS: 1380 15:13:08 -3020.067147 21.9595 BFGS: 1381 15:13:11 -3022.349083 22.0138 BFGS: 1382 15:13:12 -3025.363441 20.0236 BFGS: 1383 15:13:14 -3027.266176 17.7127 BFGS: 1384 15:13:16 -3028.835666 17.3952 BFGS: 1385 15:13:17 -3030.156233 13.9256 BFGS: 1386 15:13:18 -3032.069940 16.2673 BFGS: 1387 15:13:19 -3033.852961 18.3450 BFGS: 1388 15:13:21 -3036.006190 22.4985 BFGS: 1389 15:13:22 -3038.348780 25.2781 BFGS: 1390 15:13:23 -3040.998894 27.3337 BFGS: 1391 15:13:25 -3043.830180 28.8120 BFGS: 1392 15:13:26 -3046.988520 29.3835 BFGS: 1393 15:13:27 -3050.381487 27.4772 BFGS: 1394 15:13:29 -3054.076609 24.5948 BFGS: 1395 15:13:30 -3056.882217 23.3607 BFGS: 1396 15:13:32 -3059.567641 22.2163 BFGS: 1397 15:13:33 -3061.572610 21.2820 BFGS: 1398 15:13:34 -3064.377095 20.4473 BFGS: 1399 15:13:36 -3065.892494 19.9351 BFGS: 1400 15:13:37 -3067.814985 19.2412 BFGS: 1401 15:13:38 -3069.006887 19.5943 BFGS: 1402 15:13:38 -3070.176631 19.7272 BFGS: 1403 15:13:41 -3071.421516 21.9809 BFGS: 1404 15:13:41 -3072.490710 21.1550 BFGS: 1405 15:13:42 -3073.608990 23.2239 BFGS: 1406 15:13:43 -3074.822401 22.4524 BFGS: 1407 15:13:44 -3075.903258 23.1479 BFGS: 1408 15:13:45 -3077.187464 23.2309 BFGS: 1409 15:13:45 -3078.422354 23.4290 BFGS: 1410 15:13:46 -3079.813688 23.5477 BFGS: 1411 15:13:47 -3081.249374 23.6346 BFGS: 1412 15:13:48 -3082.823322 23.6326 BFGS: 1413 15:13:50 -3084.480920 23.6019 BFGS: 1414 15:13:51 -3086.262301 23.4591 BFGS: 1415 15:13:53 -3088.147801 23.2527 BFGS: 1416 15:13:54 -3090.143705 23.5623 BFGS: 1417 15:13:55 -3092.236764 23.8034 BFGS: 1418 15:13:57 -3094.388828 23.8486 BFGS: 1419 15:13:58 -3096.631635 23.5309 BFGS: 1420 15:13:59 -3098.886639 23.0819 BFGS: 1421 15:14:00 -3101.218076 22.1701 BFGS: 1422 15:14:01 -3103.467166 21.4231 BFGS: 1423 15:14:02 -3105.834279 19.8591 BFGS: 1424 15:14:04 -3107.984852 19.5677 BFGS: 1425 15:14:05 -3110.219111 19.0561 BFGS: 1426 15:14:06 -3112.228699 18.6189 BFGS: 1427 15:14:08 -3114.135794 18.6771 BFGS: 1428 15:14:09 -3115.882982 18.5807 BFGS: 1429 15:14:10 -3117.479782 18.3746 BFGS: 1430 15:14:11 -3118.999068 18.0877 BFGS: 1431 15:14:13 -3120.400040 17.6910 BFGS: 1432 15:14:15 -3121.794072 17.1880 BFGS: 1433 15:14:15 -3123.096399 16.5503 BFGS: 1434 15:14:16 -3124.444687 15.7335 BFGS: 1435 15:14:17 -3125.705513 15.1029 BFGS: 1436 15:14:17 -3127.059946 14.7089 BFGS: 1437 15:14:17 -3128.339642 14.3913 BFGS: 1438 15:14:19 -3129.758943 13.7821 BFGS: 1439 15:14:21 -3131.107163 13.2476 BFGS: 1440 15:14:22 -3132.717587 12.3701 BFGS: 1441 15:14:23 -3134.230301 12.6091 BFGS: 1442 15:14:23 -3136.393561 13.1512 BFGS: 1443 15:14:25 -3138.436765 13.4924 BFGS: 1444 15:14:26 -3140.452918 13.5098 BFGS: 1445 15:14:27 -3142.384335 13.1862 BFGS: 1446 15:14:28 -3143.706702 10.9808 BFGS: 1447 15:14:29 -3144.749779 10.6452 BFGS: 1448 15:14:29 -3145.009615 10.1547 BFGS: 1449 15:14:31 -3145.287589 11.3282 BFGS: 1450 15:14:32 -3145.861344 12.5024 BFGS: 1451 15:14:33 -3146.370871 13.3976 BFGS: 1452 15:14:34 -3147.004892 12.8931 BFGS: 1453 15:14:35 -3147.747988 14.1948 BFGS: 1454 15:14:36 -3148.635156 14.1434 BFGS: 1455 15:14:38 -3150.421371 14.0876 BFGS: 1456 15:14:38 -3152.234491 15.6818 BFGS: 1457 15:14:39 -3154.221675 14.5310 BFGS: 1458 15:14:40 -3155.668474 13.6110 BFGS: 1459 15:14:41 -3156.685110 11.9225 BFGS: 1460 15:14:43 -3157.264789 10.4864 BFGS: 1461 15:14:45 -3157.557913 9.2649 BFGS: 1462 15:14:46 -3157.803988 8.2321 BFGS: 1463 15:14:48 -3157.998690 7.5829 BFGS: 1464 15:14:49 -3158.120430 7.3662 BFGS: 1465 15:14:49 -3158.269516 7.6709 BFGS: 1466 15:14:50 -3158.422490 7.6615 BFGS: 1467 15:14:52 -3158.866994 7.4062 BFGS: 1468 15:14:53 -3159.430115 8.2458 BFGS: 1469 15:14:53 -3160.403927 9.6712 BFGS: 1470 15:14:54 -3161.511701 10.5432 BFGS: 1471 15:14:55 -3162.700716 11.0793 BFGS: 1472 15:14:57 -3163.910943 11.3878 BFGS: 1473 15:14:58 -3165.115468 11.5221 BFGS: 1474 15:14:58 -3166.289165 11.5604 BFGS: 1475 15:15:00 -3167.428681 11.5319 BFGS: 1476 15:15:00 -3168.538020 11.4550 BFGS: 1477 15:15:01 -3169.621898 11.3488 BFGS: 1478 15:15:03 -3170.689000 11.2099 BFGS: 1479 15:15:04 -3171.746227 11.0518 BFGS: 1480 15:15:05 -3172.802482 10.8573 BFGS: 1481 15:15:06 -3173.860581 10.6513 BFGS: 1482 15:15:07 -3174.927467 10.4400 BFGS: 1483 15:15:07 -3176.008736 10.4887 BFGS: 1484 15:15:08 -3177.106144 10.8206 BFGS: 1485 15:15:09 -3178.224378 11.1407 BFGS: 1486 15:15:10 -3179.360258 11.4540 BFGS: 1487 15:15:11 -3180.517086 11.7532 BFGS: 1488 15:15:13 -3181.689343 12.0409 BFGS: 1489 15:15:14 -3182.874452 12.3157 BFGS: 1490 15:15:15 -3184.057770 12.6035 BFGS: 1491 15:15:16 -3185.246418 12.8811 BFGS: 1492 15:15:17 -3186.394487 13.1922 BFGS: 1493 15:15:19 -3187.559295 13.4502 BFGS: 1494 15:15:21 -3188.585764 13.8118 BFGS: 1495 15:15:22 -3189.635325 14.1132 BFGS: 1496 15:15:24 -3190.529890 14.4716 BFGS: 1497 15:15:25 -3191.399993 14.8947 BFGS: 1498 15:15:25 -3192.022817 15.5069 BFGS: 1499 15:15:27 -3192.525018 16.0467 BFGS: 1500 15:15:29 -3193.054284 16.4435 BFGS: 1501 15:15:30 -3193.741533 16.4345 BFGS: 1502 15:15:31 -3194.210072 16.3801 BFGS: 1503 15:15:32 -3195.059028 15.3990 BFGS: 1504 15:15:34 -3196.846107 14.6470 BFGS: 1505 15:15:35 -3198.093250 13.4447 BFGS: 1506 15:15:36 -3199.242217 13.0749 BFGS: 1507 15:15:37 -3200.107065 13.1487 BFGS: 1508 15:15:38 -3200.736025 12.3276 BFGS: 1509 15:15:39 -3201.049737 12.8083 BFGS: 1510 15:15:41 -3201.438858 12.4933 BFGS: 1511 15:15:42 -3201.758396 12.8795 BFGS: 1512 15:15:43 -3202.075849 12.1885 BFGS: 1513 15:15:44 -3202.410119 12.4389 BFGS: 1514 15:15:46 -3202.824413 12.3440 BFGS: 1515 15:15:48 -3203.242241 11.7924 BFGS: 1516 15:15:48 -3203.620406 11.4691 BFGS: 1517 15:15:49 -3203.975839 11.1522 BFGS: 1518 15:15:51 -3204.307206 10.8817 BFGS: 1519 15:15:52 -3204.663678 10.4593 BFGS: 1520 15:15:54 -3204.891775 10.1439 BFGS: 1521 15:15:55 -3205.078740 11.3674 BFGS: 1522 15:15:56 -3205.301057 11.2701 BFGS: 1523 15:15:57 -3205.643073 11.0504 BFGS: 1524 15:15:59 -3206.240030 10.7167 BFGS: 1525 15:16:00 -3207.146576 10.3636 BFGS: 1526 15:16:02 -3208.764778 10.3655 BFGS: 1527 15:16:04 -3211.069278 11.5030 BFGS: 1528 15:16:05 -3212.814953 11.0239 BFGS: 1529 15:16:07 -3214.558098 9.5379 BFGS: 1530 15:16:08 -3216.306082 7.5606 BFGS: 1531 15:16:11 -3217.673756 7.3251 BFGS: 1532 15:16:13 -3218.534287 6.7080 BFGS: 1533 15:16:14 -3219.127590 6.8122 BFGS: 1534 15:16:15 -3219.594489 6.3669 BFGS: 1535 15:16:16 -3219.948861 6.4287 BFGS: 1536 15:16:18 -3220.193169 7.6109 BFGS: 1537 15:16:20 -3220.380819 8.0914 BFGS: 1538 15:16:21 -3220.612733 8.5197 BFGS: 1539 15:16:22 -3220.797178 8.8062 BFGS: 1540 15:16:23 -3221.199847 9.7208 BFGS: 1541 15:16:24 -3221.617120 10.3681 BFGS: 1542 15:16:25 -3221.987398 11.0420 BFGS: 1543 15:16:26 -3222.269341 11.5063 BFGS: 1544 15:16:27 -3222.571513 11.1938 BFGS: 1545 15:16:28 -3222.795188 10.6101 BFGS: 1546 15:16:30 -3222.857704 9.9858 BFGS: 1547 15:16:31 -3222.919970 9.6883 BFGS: 1548 15:16:33 -3222.961069 9.5729 BFGS: 1549 15:16:35 -3222.988115 9.9522 BFGS: 1550 15:16:36 -3223.009677 10.2603 BFGS: 1551 15:16:37 -3223.028847 10.7039 BFGS: 1552 15:16:39 -3223.055916 11.1078 BFGS: 1553 15:16:40 -3223.100462 11.4465 BFGS: 1554 15:16:42 -3223.186822 11.7785 BFGS: 1555 15:16:43 -3223.356220 11.8497 BFGS: 1556 15:16:44 -3223.716806 11.7416 BFGS: 1557 15:16:46 -3224.315364 11.6558 BFGS: 1558 15:16:47 -3225.032385 11.6178 BFGS: 1559 15:16:48 -3225.855532 11.4443 BFGS: 1560 15:16:49 -3226.763190 10.8780 BFGS: 1561 15:16:50 -3227.718929 10.3098 BFGS: 1562 15:16:52 -3228.722336 9.3737 BFGS: 1563 15:16:53 -3229.714573 8.8184 BFGS: 1564 15:16:54 -3230.725109 8.4064 BFGS: 1565 15:16:55 -3231.636717 7.7093 BFGS: 1566 15:16:56 -3232.484513 6.9319 BFGS: 1567 15:16:57 -3233.146100 5.9224 BFGS: 1568 15:16:58 -3233.575399 4.9270 BFGS: 1569 15:17:00 -3233.727166 4.3708 BFGS: 1570 15:17:01 -3233.812678 4.2526 BFGS: 1571 15:17:03 -3233.878530 3.9662 BFGS: 1572 15:17:05 -3233.908187 3.8302 BFGS: 1573 15:17:05 -3233.931136 4.0752 BFGS: 1574 15:17:07 -3233.947089 4.0623 BFGS: 1575 15:17:09 -3233.960078 4.2311 BFGS: 1576 15:17:10 -3233.967263 4.1608 BFGS: 1577 15:17:12 -3233.971437 4.2552 BFGS: 1578 15:17:13 -3233.973689 4.3974 BFGS: 1579 15:17:15 -3233.975283 4.4837 BFGS: 1580 15:17:15 -3233.976074 4.5260 BFGS: 1581 15:17:17 -3233.976694 4.5516 BFGS: 1582 15:17:18 -3233.976864 4.5502 BFGS: 1583 15:17:19 -3233.977048 4.5478 BFGS: 1584 15:17:20 -3233.977076 4.5483 BFGS: 1585 15:17:21 -3233.977114 4.5583 BFGS: 1586 15:17:22 -3233.977149 4.5627 BFGS: 1587 15:17:23 -3233.977252 4.5778 BFGS: 1588 15:17:24 -3233.977442 4.5899 BFGS: 1589 15:17:25 -3233.977887 4.6119 BFGS: 1590 15:17:26 -3233.978864 4.6305 BFGS: 1591 15:17:28 -3233.981240 4.6572 BFGS: 1592 15:17:30 -3233.987009 4.7496 BFGS: 1593 15:17:31 -3234.000911 4.9839 BFGS: 1594 15:17:32 -3234.038053 5.3705 BFGS: 1595 15:17:34 -3234.128644 5.8976 BFGS: 1596 15:17:35 -3234.346755 6.4753 BFGS: 1597 15:17:36 -3234.803050 6.6250 BFGS: 1598 15:17:39 -3235.462675 6.7423 BFGS: 1599 15:17:41 -3236.022378 5.9900 BFGS: 1600 15:17:43 -3236.392555 3.2315 BFGS: 1601 15:17:46 -3236.453808 2.6998 BFGS: 1602 15:17:48 -3236.464152 2.5895 BFGS: 1603 15:17:51 -3236.469519 2.5164 BFGS: 1604 15:17:53 -3236.472370 2.4789 BFGS: 1605 15:17:53 -3236.474221 2.4241 BFGS: 1606 15:17:54 -3236.474674 2.4221 BFGS: 1607 15:17:55 -3236.476606 2.4283 BFGS: 1608 15:17:56 -3236.479891 2.4086 BFGS: 1609 15:17:58 -3236.486520 2.4150 BFGS: 1610 15:17:59 -3236.503284 2.3703 BFGS: 1611 15:18:00 -3236.542109 2.7653 BFGS: 1612 15:18:01 -3236.625910 3.5283 BFGS: 1613 15:18:02 -3236.758811 3.8071 BFGS: 1614 15:18:03 -3236.894238 2.9989 BFGS: 1615 15:18:04 -3236.964340 2.1509 BFGS: 1616 15:18:05 -3236.977509 2.2727 BFGS: 1617 15:18:06 -3236.981035 2.3457 BFGS: 1618 15:18:08 -3236.982912 2.3948 BFGS: 1619 15:18:10 -3236.983797 2.4443 BFGS: 1620 15:18:10 -3236.984538 2.5418 BFGS: 1621 15:18:11 -3236.984591 2.5686 BFGS: 1622 15:18:12 -3236.984657 2.5958 BFGS: 1623 15:18:13 -3236.984733 2.6138 BFGS: 1624 15:18:15 -3236.984991 2.6544 BFGS: 1625 15:18:16 -3236.985568 2.7128 BFGS: 1626 15:18:17 -3236.987147 2.8155 BFGS: 1627 15:18:19 -3236.991096 2.9779 BFGS: 1628 15:18:20 -3237.001365 3.2387 BFGS: 1629 15:18:22 -3237.026857 3.6038 BFGS: 1630 15:18:22 -3237.085577 3.9944 BFGS: 1631 15:18:24 -3237.203611 4.3261 BFGS: 1632 15:18:25 -3237.361829 3.9641 BFGS: 1633 15:18:26 -3237.473238 2.1360 BFGS: 1634 15:18:27 -3237.504600 0.7339 BFGS: 1635 15:18:27 -3237.507600 0.5820 BFGS: 1636 15:18:27 -3237.507975 0.5801 BFGS: 1637 15:18:28 -3237.508212 0.5759 BFGS: 1638 15:18:29 -3237.508265 0.5747 BFGS: 1639 15:18:29 -3237.508610 0.5660 BFGS: 1640 15:18:31 -3237.509117 0.5567 BFGS: 1641 15:18:32 -3237.510589 0.5813 BFGS: 1642 15:18:34 -3237.513959 0.6645 BFGS: 1643 15:18:34 -3237.522185 0.7756 BFGS: 1644 15:18:35 -3237.539214 0.8345 BFGS: 1645 15:18:36 -3237.565880 0.7482 BFGS: 1646 15:18:37 -3237.589404 0.5269 BFGS: 1647 15:18:38 -3237.598017 0.3205 BFGS: 1648 15:18:39 -3237.599123 0.2806 BFGS: 1649 15:18:40 -3237.599227 0.2805 BFGS: 1650 15:18:41 -3237.599274 0.2818 BFGS: 1651 15:18:42 -3237.599292 0.2815 BFGS: 1652 15:18:43 -3237.599306 0.2933 BFGS: 1653 15:18:43 -3237.599310 0.2961 BFGS: 1654 15:18:45 -3237.599340 0.3104 BFGS: 1655 15:18:47 -3237.599389 0.3240 BFGS: 1656 15:18:48 -3237.599537 0.3502 BFGS: 1657 15:18:48 -3237.599894 0.3906 BFGS: 1658 15:18:49 -3237.600839 0.4573 BFGS: 1659 15:18:51 -3237.603192 0.5589 BFGS: 1660 15:18:53 -3237.608766 0.6893 BFGS: 1661 15:18:54 -3237.619924 0.8402 BFGS: 1662 15:18:55 -3237.635486 0.7860 BFGS: 1663 15:18:57 -3237.647166 0.4221 BFGS: 1664 15:18:58 -3237.650803 0.2037 BFGS: 1665 15:19:00 -3237.651117 0.2129 BFGS: 1666 15:19:02 -3237.651144 0.2125 BFGS: 1667 15:19:03 -3237.651158 0.2106 BFGS: 1668 15:19:04 -3237.651159 0.2113 BFGS: 1669 15:19:05 -3237.651160 0.2112 BFGS: 1670 15:19:07 -3237.651160 0.2112 BFGS: 1671 15:19:08 -3237.651160 0.2112 BFGS: 1672 15:19:09 -3237.651160 0.2113 BFGS: 1673 15:19:11 -3237.651160 0.2114 BFGS: 1674 15:19:13 -3237.651160 0.2115 BFGS: 1675 15:19:14 -3237.651160 0.2118 BFGS: 1676 15:19:15 -3237.651161 0.2121 BFGS: 1677 15:19:16 -3237.651164 0.2126 BFGS: 1678 15:19:17 -3237.651171 0.2134 BFGS: 1679 15:19:18 -3237.651190 0.2145 BFGS: 1680 15:19:20 -3237.651240 0.2157 BFGS: 1681 15:19:21 -3237.651367 0.2161 BFGS: 1682 15:19:22 -3237.651686 0.2550 BFGS: 1683 15:19:24 -3237.652440 0.3878 BFGS: 1684 15:19:26 -3237.653988 0.5214 BFGS: 1685 15:19:27 -3237.656182 0.5188 BFGS: 1686 15:19:27 -3237.657950 0.3018 BFGS: 1687 15:19:29 -3237.658498 0.0783 BFGS: 1688 15:19:30 -3237.658551 0.0384 BFGS: 1689 15:19:32 -3237.658553 0.0384 BFGS: 1690 15:19:33 -3237.658553 0.0383 BFGS: 1691 15:19:34 -3237.658554 0.0382 BFGS: 1692 15:19:35 -3237.658555 0.0381 BFGS: 1693 15:19:36 -3237.658559 0.0377 BFGS: 1694 15:19:37 -3237.658567 0.0372 BFGS: 1695 15:19:38 -3237.658591 0.0359 BFGS: 1696 15:19:39 -3237.658647 0.0334 BFGS: 1697 15:19:41 -3237.658768 0.0437 BFGS: 1698 15:19:42 -3237.658955 0.0428 BFGS: 1699 15:19:44 -3237.659174 0.0273 BFGS: 1700 15:19:45 -3237.659252 0.0090 BFGS: 1701 15:19:46 -3237.659264 0.0016 BFGS: 1702 15:19:47 -3237.659264 0.0006 BFGS: 1703 15:19:48 -3237.659264 0.0002 BFGS: 1704 15:19:50 -3237.659264 0.0000 BFGS: 1705 15:19:51 -3237.659264 0.0000 BFGS: 1706 15:19:53 -3237.659264 0.0000 BFGS: 1707 15:19:53 -3237.659264 0.0000 BFGS: 1708 15:19:54 -3237.659264 0.0000 BFGS: 1709 15:19:54 -3237.659264 0.0000 BFGS: 1710 15:19:55 -3237.659264 0.0000 BFGS: 1711 15:19:56 -3237.659264 0.0000 BFGS: 1712 15:19:57 -3237.659264 0.0000 Minimization converged after 1712 steps. Maximum force component: 1.0134654259220716e-08 eV/Angstrom Maximum stress component: 6.77948940853108e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.26009401 0.08868798 0.47048571] [0.23990599 0.91131202 0.97048571] [0.73990599 0.58868798 0.02951429] [0.76009401 0.41131202 0.52951429] [0.25420008 0.86583761 0.77581837] [0.24579992 0.13416239 0.27581837] [0.74579992 0.36583761 0.72418163] [0.75420008 0.63416239 0.22418163] [0.22759469 0.81527054 0.27514599] [0.27240531 0.18472946 0.77514599] [0.77240531 0.31527054 0.22485401] [0.72759469 0.68472946 0.72485401] [0.76155264 0.98770381 0.52337679] [0.73844736 0.01229619 0.02337679] [0.23844736 0.48770381 0.97662321] [0.26155264 0.51229619 0.47662321] [0.75985484 0.92499129 0.68277062] [0.74014516 0.07500871 0.18277062] [0.24014516 0.42499129 0.81722938] [0.25985484 0.57500871 0.31722938] [0.25940653 0.02250511 0.74016161] [0.24059347 0.97749489 0.24016161] [0.74059347 0.52250511 0.75983839] [0.75940653 0.47749489 0.25983839] [0.12206957 0.78555286 0.65534472] [0.37793043 0.21444714 0.15534472] [0.87793043 0.28555286 0.84465528] [0.62206957 0.71444714 0.34465528] [0.98151805 0.94844729 0.45967412] [0.51848195 0.05155271 0.95967412] [0.01848195 0.44844729 0.04032588] [0.48151805 0.55155271 0.54032588] [0.7527867 0.83432027 0.66728819] [0.7472133 0.16567973 0.16728819] [0.2472133 0.33432027 0.83271181] [0.2527867 0.66567973 0.33271181] [0.77172502 0.79069156 0.59315258] [0.72827498 0.20930844 0.09315258] [0.22827498 0.29069156 0.90684742] [0.27172502 0.70930844 0.40684742] [0.53548714 0.94814183 0.45988895] [0.96451286 0.05185817 0.95988895] [0.46451286 0.44814183 0.04011105] [0.03548714 0.55185817 0.54011105] [0.25623031 0.91029 0.40391423] [0.24376969 0.08971 0.90391423] [0.74376969 0.41029 0.09608577] [0.75623031 0.58971 0.59608577] [0.26136413 0.68959593 0.55620602] [0.23863587 0.31040407 0.05620602] [0.73863587 0.18959593 0.94379398] [0.76136413 0.81040407 0.44379398] [0.26485464 0.90298711 0.58226275] [0.23514536 0.09701289 0.08226275] [0.73514536 0.40298711 0.91773725] [0.76485464 0.59701289 0.41773725] [0.76380016 0.06777755 0.64491731] [0.73619984 0.93222245 0.14491731] [0.23619984 0.56777755 0.85508269] [0.26380016 0.43222245 0.35508269] [0.24671333 0.52426473 0.66385984] [0.25328667 0.47573527 0.16385984] [0.75328667 0.02426473 0.83614016] [0.74671333 0.97573527 0.33614016] [0.75486064 0.25624592 0.40927209] [0.74513936 0.74375408 0.90927209] [0.24513936 0.75624592 0.09072791] [0.25486064 0.24375408 0.59072791]] cellpar = Cell([1.4038164976673124, 6.676079572619003, 7.099053503323045]) forces = [[ 2.62504742e-10 -4.92427076e-09 8.85205766e-10] [-2.62504742e-10 4.92427076e-09 8.85205766e-10] [-2.62504742e-10 -4.92427076e-09 -8.85205766e-10] [ 2.62504742e-10 4.92427076e-09 -8.85205766e-10] [-2.69615340e-09 2.63079346e-09 6.99551103e-09] [ 2.69615340e-09 -2.63079346e-09 6.99551103e-09] [ 2.69615340e-09 2.63079346e-09 -6.99551103e-09] [-2.69615340e-09 -2.63079346e-09 -6.99551103e-09] [ 3.20128160e-09 1.97459010e-09 1.80111862e-09] [-3.20128160e-09 -1.97459010e-09 1.80111862e-09] [-3.20128160e-09 1.97459010e-09 -1.80111862e-09] [ 3.20128160e-09 -1.97459010e-09 -1.80111862e-09] [ 5.79701021e-10 -3.08562519e-10 -5.91616961e-09] [-5.79701021e-10 3.08562519e-10 -5.91616961e-09] [-5.79701021e-10 -3.08562519e-10 5.91616961e-09] [ 5.79701021e-10 3.08562519e-10 5.91616961e-09] [ 1.98400246e-09 -7.52317404e-10 8.30531597e-10] [-1.98400246e-09 7.52317404e-10 8.30531597e-10] [-1.98400246e-09 -7.52317404e-10 -8.30531597e-10] [ 1.98400246e-09 7.52317404e-10 -8.30531597e-10] [ 1.45891485e-10 -2.97176047e-09 3.39790521e-09] [-1.45891485e-10 2.97176047e-09 3.39790521e-09] [-1.45891485e-10 -2.97176047e-09 -3.39790521e-09] [ 1.45891485e-10 2.97176047e-09 -3.39790521e-09] [-1.00120028e-09 1.67017628e-09 -5.92693462e-10] [ 1.00120028e-09 -1.67017628e-09 -5.92693462e-10] [ 1.00120028e-09 1.67017628e-09 5.92693462e-10] [-1.00120028e-09 -1.67017628e-09 5.92693462e-10] [-4.85269824e-10 -1.21181627e-09 1.19389258e-09] [ 4.85269824e-10 1.21181627e-09 1.19389258e-09] [ 4.85269824e-10 -1.21181627e-09 -1.19389258e-09] [-4.85269824e-10 1.21181627e-09 -1.19389258e-09] [ 7.89376186e-10 -1.49834912e-09 -1.50675257e-09] [-7.89376186e-10 1.49834912e-09 -1.50675257e-09] [-7.89376186e-10 -1.49834912e-09 1.50675257e-09] [ 7.89376186e-10 1.49834912e-09 1.50675257e-09] [-3.85582728e-10 -1.42304743e-09 1.14189646e-09] [ 3.85582728e-10 1.42304743e-09 1.14189646e-09] [ 3.85582728e-10 -1.42304743e-09 -1.14189646e-09] [-3.85582728e-10 1.42304743e-09 -1.14189646e-09] [-4.29041428e-10 8.69962611e-10 7.04211203e-10] [ 4.29041428e-10 -8.69962611e-10 7.04211203e-10] [ 4.29041428e-10 8.69962611e-10 -7.04211203e-10] [-4.29041428e-10 -8.69962611e-10 -7.04211203e-10] [-1.15092421e-09 3.29314294e-09 3.47203469e-09] [ 1.15092421e-09 -3.29314294e-09 3.47203469e-09] [ 1.15092421e-09 3.29314294e-09 -3.47203469e-09] [-1.15092421e-09 -3.29314294e-09 -3.47203469e-09] [ 2.57532634e-09 8.80589049e-10 4.53436220e-10] [-2.57532634e-09 -8.80589049e-10 4.53436220e-10] [-2.57532634e-09 8.80589049e-10 -4.53436220e-10] [ 2.57532634e-09 -8.80589049e-10 -4.53436220e-10] [-2.65554874e-09 2.66023195e-09 1.39018948e-09] [ 2.65554874e-09 -2.66023195e-09 1.39018948e-09] [ 2.65554874e-09 2.66023195e-09 -1.39018948e-09] [-2.65554874e-09 -2.66023195e-09 -1.39018948e-09] [ 3.43006997e-11 1.53771734e-09 -1.01346543e-08] [-3.43006997e-11 -1.53771734e-09 -1.01346543e-08] [-3.43006997e-11 1.53771734e-09 1.01346543e-08] [ 3.43006997e-11 -1.53771734e-09 1.01346543e-08] [ 1.60016600e-09 1.23360978e-09 -1.93327028e-09] [-1.60016600e-09 -1.23360978e-09 -1.93327028e-09] [-1.60016600e-09 1.23360978e-09 1.93327028e-09] [ 1.60016600e-09 -1.23360978e-09 1.93327028e-09] [ 8.37609068e-10 -1.25665608e-09 -2.34448822e-09] [-8.37609068e-10 1.25665608e-09 -2.34448822e-09] [-8.37609068e-10 -1.25665608e-09 2.34448822e-09] [ 8.37609068e-10 1.25665608e-09 2.34448822e-09]] stress = [-6.77948941e-10 -5.66034682e-10 -9.37893468e-11 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -47.612636237561745 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0