element(s): ['O', 'Ti'] AFLOW prototype label: A2B_oP24_61_2c_c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['5.2641', '1.7780817', '1.0531145', '0.18018898', '0.011807378', '0.14963044', '0.53489262', '0.23087599', '0.11289796', '0.86470933', '0.12913298', '0.10377478'] Parameter values for parameter set 1: ['4.8825', '1.9598566', '1.0316436', '0.13401724', '0.78894143', '0.37468927', '0.49687022', '0.97602177', '0.73751235', '0.25680283', '0.88464842', '0.040936245'] model name: MEAM_LAMMPS_ZhangTrinkle_2016_TiO__MO_612732924171_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'Ti'] representative atom coordinates = [[0.18018898 0.01180738 0.14963044] [0.53489262 0.23087599 0.11289796] [0.86470933 0.12913298 0.10377478]] spacegroup = 61 cell = [[5.2641, 0, 0], [0, 9.36, 0], [0, 0, 5.5437]] ========================================= Step Time Energy fmax BFGS: 0 22:16:13 -80.555264 2.618984 BFGS: 1 22:16:13 -81.890759 2.385133 BFGS: 2 22:16:13 -83.379123 2.046172 BFGS: 3 22:16:13 -84.548438 1.780223 BFGS: 4 22:16:13 -85.443188 1.576334 BFGS: 5 22:16:13 -86.140890 1.324731 BFGS: 6 22:16:13 -86.676114 1.111098 BFGS: 7 22:16:13 -87.082395 0.859421 BFGS: 8 22:16:13 -87.378147 0.701724 BFGS: 9 22:16:13 -87.606820 0.756566 BFGS: 10 22:16:13 -87.799853 0.808894 BFGS: 11 22:16:13 -87.970479 0.829753 BFGS: 12 22:16:13 -88.124365 0.822464 BFGS: 13 22:16:13 -88.265036 0.807418 BFGS: 14 22:16:13 -88.451628 0.817584 BFGS: 15 22:16:13 -88.706890 0.833370 BFGS: 16 22:16:13 -89.003287 0.894528 BFGS: 17 22:16:13 -89.314456 0.933620 BFGS: 18 22:16:13 -89.612954 0.991976 BFGS: 19 22:16:13 -89.871816 0.975584 BFGS: 20 22:16:14 -90.071075 0.946194 BFGS: 21 22:16:14 -90.216434 0.943382 BFGS: 22 22:16:14 -90.325560 0.977900 BFGS: 23 22:16:14 -90.486642 1.005641 BFGS: 24 22:16:14 -90.621948 1.100081 BFGS: 25 22:16:14 -90.738508 1.287450 BFGS: 26 22:16:14 -90.878274 1.430358 BFGS: 27 22:16:14 -91.025950 1.570524 BFGS: 28 22:16:14 -91.181611 1.705508 BFGS: 29 22:16:14 -91.343204 1.828138 BFGS: 30 22:16:14 -91.511771 1.930285 BFGS: 31 22:16:14 -91.695260 1.985675 BFGS: 32 22:16:14 -91.901677 1.960922 BFGS: 33 22:16:14 -92.168890 1.826809 BFGS: 34 22:16:14 -92.490910 1.975322 BFGS: 35 22:16:14 -92.848018 2.102956 BFGS: 36 22:16:14 -93.210310 2.140016 BFGS: 37 22:16:14 -93.716551 2.091484 BFGS: 38 22:16:14 -94.345694 2.032870 BFGS: 39 22:16:14 -95.000891 1.940403 BFGS: 40 22:16:14 -95.617664 2.113464 BFGS: 41 22:16:14 -96.115362 2.366620 BFGS: 42 22:16:14 -96.551706 2.611020 BFGS: 43 22:16:14 -96.968209 2.726522 BFGS: 44 22:16:14 -97.298353 2.815547 BFGS: 45 22:16:14 -97.569645 2.824438 BFGS: 46 22:16:14 -97.740775 2.773674 BFGS: 47 22:16:14 -97.919845 2.777798 BFGS: 48 22:16:14 -98.110495 2.781803 BFGS: 49 22:16:14 -98.297200 2.783531 BFGS: 50 22:16:14 -98.489562 2.748023 BFGS: 51 22:16:14 -98.690722 2.718424 BFGS: 52 22:16:14 -98.894970 2.698385 BFGS: 53 22:16:14 -99.102760 2.683132 BFGS: 54 22:16:14 -99.312223 2.671263 BFGS: 55 22:16:14 -99.522728 2.661441 BFGS: 56 22:16:14 -99.734248 2.651238 BFGS: 57 22:16:14 -99.947119 2.633932 BFGS: 58 22:16:14 -100.164696 2.614729 BFGS: 59 22:16:14 -100.383425 2.593665 BFGS: 60 22:16:14 -100.604897 2.569933 BFGS: 61 22:16:14 -100.826343 2.547330 BFGS: 62 22:16:14 -101.050511 2.521465 BFGS: 63 22:16:14 -101.264665 2.462641 BFGS: 64 22:16:14 -101.475763 2.407061 BFGS: 65 22:16:14 -101.674747 2.395029 BFGS: 66 22:16:14 -101.879874 2.427592 BFGS: 67 22:16:14 -102.062690 2.450433 BFGS: 68 22:16:14 -102.243704 2.468644 BFGS: 69 22:16:14 -102.409538 2.475408 BFGS: 70 22:16:14 -102.573666 2.480078 BFGS: 71 22:16:14 -102.720664 2.470868 BFGS: 72 22:16:14 -102.873378 2.464934 BFGS: 73 22:16:14 -103.003692 2.441444 BFGS: 74 22:16:14 -103.138152 2.419431 BFGS: 75 22:16:14 -103.260506 2.389486 BFGS: 76 22:16:14 -103.376121 2.350166 BFGS: 77 22:16:14 -103.490398 2.310179 BFGS: 78 22:16:15 -103.595463 2.259651 BFGS: 79 22:16:15 -103.701621 2.207258 BFGS: 80 22:16:15 -103.799546 2.143269 BFGS: 81 22:16:15 -103.899455 2.079521 BFGS: 82 22:16:15 -103.993803 2.005040 BFGS: 83 22:16:15 -104.085596 1.926385 BFGS: 84 22:16:15 -104.178898 1.844310 BFGS: 85 22:16:15 -104.268004 1.753560 BFGS: 86 22:16:15 -104.358762 1.665853 BFGS: 87 22:16:15 -104.450576 2.240226 BFGS: 88 22:16:15 -104.528621 13.685909 BFGS: 89 22:16:15 -104.617595 14.029242 BFGS: 90 22:16:15 -104.702763 3.865938 BFGS: 91 22:16:15 -104.786195 19.031644 BFGS: 92 22:16:15 -104.875162 8.785765 BFGS: 93 22:16:15 -104.919325 98.035364 BFGS: 94 22:16:15 -105.011167 52.673287 BFGS: 95 22:16:15 -105.101159 47.377862 BFGS: 96 22:16:15 -104.856664 1903.050057 BFGS: 97 22:16:15 -104.551067 1721.332025 BFGS: 98 22:16:15 -105.368916 822.883455 BFGS: 99 22:16:15 -105.593555 154.465525 BFGS: 100 22:16:15 -105.721116 129.850903 BFGS: 101 22:16:15 -105.843348 114.539585 BFGS: 102 22:16:15 -105.963109 102.740060 BFGS: 103 22:16:15 -106.092264 90.603314 BFGS: 104 22:16:16 -106.231542 78.222553 BFGS: 105 22:16:16 -106.359926 67.308959 BFGS: 106 22:16:16 -106.483507 57.329427 BFGS: 107 22:16:16 -106.606028 48.155740 BFGS: 108 22:16:16 -106.727693 39.971679 BFGS: 109 22:16:16 -106.852746 33.927612 BFGS: 110 22:16:16 -106.975179 29.263359 BFGS: 111 22:16:16 -107.095006 26.088779 BFGS: 112 22:16:16 -107.211081 24.296571 BFGS: 113 22:16:16 -107.318618 23.550589 BFGS: 114 22:16:16 -107.419933 24.419460 BFGS: 115 22:16:16 -107.510734 25.739098 BFGS: 116 22:16:16 -107.591294 27.392043 BFGS: 117 22:16:16 -107.662461 29.161256 BFGS: 118 22:16:16 -107.724361 30.876739 BFGS: 119 22:16:16 -107.783473 34.599745 BFGS: 120 22:16:16 -107.833711 36.129831 BFGS: 121 22:16:16 -107.882671 37.506960 BFGS: 122 22:16:16 -107.927653 36.324680 BFGS: 123 22:16:16 -107.965909 34.309580 BFGS: 124 22:16:16 -108.005608 29.673571 BFGS: 125 22:16:16 -108.041119 23.903333 BFGS: 126 22:16:16 -108.074652 14.498725 BFGS: 127 22:16:16 -108.091224 9.267027 BFGS: 128 22:16:16 -108.098584 7.261627 BFGS: 129 22:16:16 -108.105116 4.761095 BFGS: 130 22:16:16 -108.110969 1.974679 BFGS: 131 22:16:16 -108.120122 3.136821 BFGS: 132 22:16:17 -108.129577 8.533549 BFGS: 133 22:16:17 -108.136895 13.722689 BFGS: 134 22:16:17 -108.141775 17.667919 BFGS: 135 22:16:17 -108.145504 19.528029 BFGS: 136 22:16:17 -108.147988 18.548315 BFGS: 137 22:16:17 -108.149372 15.420657 BFGS: 138 22:16:17 -108.150507 10.868114 BFGS: 139 22:16:17 -108.152045 3.368424 BFGS: 140 22:16:17 -108.153874 6.985306 BFGS: 141 22:16:17 -108.155136 13.824659 BFGS: 142 22:16:17 -108.155559 14.255805 BFGS: 143 22:16:17 -108.155696 12.111182 BFGS: 144 22:16:17 -108.155767 9.496238 BFGS: 145 22:16:17 -108.155831 6.244093 BFGS: 146 22:16:17 -108.155934 1.013946 BFGS: 147 22:16:17 -108.156000 2.208060 BFGS: 148 22:16:17 -108.156051 2.320232 BFGS: 149 22:16:17 -108.156075 2.187562 BFGS: 150 22:16:17 -108.156097 3.344091 BFGS: 151 22:16:17 -108.156108 2.255456 BFGS: 152 22:16:17 -108.156151 1.751698 BFGS: 153 22:16:17 -108.156199 2.865915 BFGS: 154 22:16:18 -108.156284 4.902139 BFGS: 155 22:16:18 -108.156429 7.976607 BFGS: 156 22:16:18 -108.156658 11.715469 BFGS: 157 22:16:18 -108.157054 15.622540 BFGS: 158 22:16:18 -108.157833 19.136058 BFGS: 159 22:16:18 -108.159508 18.976889 BFGS: 160 22:16:18 -108.154024 520.021457 BFGS: 161 22:16:18 -108.160546 55.699406 BFGS: 162 22:16:18 -108.160612 16.358997 BFGS: 163 22:16:18 -108.161728 17.151612 BFGS: 164 22:16:18 -108.159553 188.442886 BFGS: 165 22:16:18 -108.162841 38.979493 BFGS: 166 22:16:18 -108.163337 12.560172 BFGS: 167 22:16:18 -108.164454 37.955995 BFGS: 168 22:16:18 -108.163592 152.105799 BFGS: 169 22:16:18 -108.143461 10.535804 BFGS: 170 22:16:18 -108.162154 27.766860 BFGS: 171 22:16:18 -108.163813 107.925422 BFGS: 172 22:16:18 -108.165141 34.592633 BFGS: 173 22:16:19 -108.165492 35.253262 BFGS: 174 22:16:19 -108.166001 35.503409 BFGS: 175 22:16:19 -108.166151 34.443939 BFGS: 176 22:16:19 -108.167128 21.775642 BFGS: 177 22:16:19 -108.167589 7.837061 BFGS: 178 22:16:19 -108.167982 3.064541 BFGS: 179 22:16:19 -108.168138 4.105851 BFGS: 180 22:16:19 -108.168151 3.244032 BFGS: 181 22:16:19 -108.168205 2.476434 BFGS: 182 22:16:19 -108.168215 2.192531 BFGS: 183 22:16:19 -108.168216 2.163628 BFGS: 184 22:16:19 -108.168216 1.682612 BFGS: 185 22:16:19 -108.168217 1.479303 BFGS: 186 22:16:19 -108.168217 1.597026 BFGS: 187 22:16:19 -108.168219 2.462507 BFGS: 188 22:16:19 -108.168223 4.252891 BFGS: 189 22:16:20 -108.168234 7.473110 BFGS: 190 22:16:20 -108.168263 12.821412 BFGS: 191 22:16:20 -108.168336 21.816634 BFGS: 192 22:16:20 -108.168507 36.977969 BFGS: 193 22:16:20 -108.168900 62.110746 BFGS: 194 22:16:20 -108.168463 102.250374 BFGS: 195 22:16:20 -108.169352 6.351666 BFGS: 196 22:16:20 -108.163127 13.278555 BFGS: 197 22:16:20 -108.168897 55.472182 BFGS: 198 22:16:20 -108.168661 36.443874 BFGS: 199 22:16:20 -108.169474 428.108480 BFGS: 200 22:16:20 -108.140628 5.642391 BFGS: 201 22:16:20 -108.166195 16.175840 BFGS: 202 22:16:20 -108.166578 17.828523 BFGS: 203 22:16:20 -108.169384 108.070173 BFGS: 204 22:16:21 -108.169694 93.854323 BFGS: 205 22:16:21 -108.168548 809.406187 BFGS: 206 22:16:21 -108.161240 19.991544 BFGS: 207 22:16:21 -108.165786 33.020591 BFGS: 208 22:16:21 -108.168869 103.279355 BFGS: 209 22:16:21 -108.167423 61.843672 BFGS: 210 22:16:21 -108.167880 97.813466 BFGS: 211 22:16:21 -108.168935 167.887540 BFGS: 212 22:16:21 -108.167697 172.324773 BFGS: 213 22:16:21 -108.168034 215.999835 BFGS: 214 22:16:21 -108.161088 715.152660 BFGS: 215 22:16:21 -108.153731 208.255961 BFGS: 216 22:16:21 -108.158387 71.091635 BFGS: 217 22:16:21 -108.161715 75.611013 BFGS: 218 22:16:21 -108.163424 75.875594 BFGS: 219 22:16:22 -108.165499 58.560228 BFGS: 220 22:16:22 -108.131172 1377.931862 BFGS: 221 22:16:22 -108.166358 50.342933 BFGS: 222 22:16:22 -108.166742 47.533077 BFGS: 223 22:16:22 -108.167413 39.921010 BFGS: 224 22:16:22 -108.167688 37.330298 BFGS: 225 22:16:22 -108.168761 55.646681 BFGS: 226 22:16:22 -108.169304 59.152097 BFGS: 227 22:16:22 -108.169572 128.274025 BFGS: 228 22:16:22 -108.169581 82.722992 BFGS: 229 22:16:22 -108.169614 79.269681 BFGS: 230 22:16:22 -108.169620 88.839514 BFGS: 231 22:16:22 -108.169623 89.066580 BFGS: 232 22:16:22 -108.169644 86.915006 BFGS: 233 22:16:22 -108.169677 74.472228 BFGS: 234 22:16:22 -108.169727 26.516734 BFGS: 235 22:16:22 -108.169765 4.307779 BFGS: 236 22:16:22 -108.169788 15.839386 BFGS: 237 22:16:22 -108.169790 23.269905 BFGS: 238 22:16:22 -108.169790 23.686155 BFGS: 239 22:16:22 -108.169791 27.357539 BFGS: 240 22:16:23 -108.169795 33.344191 BFGS: 241 22:16:23 -108.169806 45.699961 BFGS: 242 22:16:23 -108.169831 67.794538 BFGS: 243 22:16:23 -108.169894 120.298017 BFGS: 244 22:16:23 -108.169595 761.975478 BFGS: 245 22:16:23 -108.138991 12.931379 BFGS: 246 22:16:23 -108.168917 84.346425 BFGS: 247 22:16:23 -108.169389 57.186275 BFGS: 248 22:16:23 -108.169802 1302.524007 BFGS: 249 22:16:23 -108.169501 80.494433 BFGS: 250 22:16:23 -108.169555 86.036415 BFGS: 251 22:16:23 -108.169651 108.286937 BFGS: 252 22:16:23 -108.169731 118.090409 BFGS: 253 22:16:23 -108.140954 15.712838 BFGS: 254 22:16:23 -108.168521 430.910384 BFGS: 255 22:16:23 -108.168078 94.600968 BFGS: 256 22:16:23 -108.168635 289.281721 BFGS: 257 22:16:23 -108.168811 138.269471 BFGS: 258 22:16:24 -108.169010 174.120984 BFGS: 259 22:16:24 -108.169009 652.161858 BFGS: 260 22:16:24 -108.169219 212.621100 BFGS: 261 22:16:24 -108.169265 233.413423 BFGS: 262 22:16:24 -108.169320 283.585206 BFGS: 263 22:16:24 -108.169338 274.649291 BFGS: 264 22:16:24 -108.169366 243.406330 BFGS: 265 22:16:24 -108.169372 224.017941 BFGS: 266 22:16:24 -108.169377 202.787030 BFGS: 267 22:16:24 -108.169380 192.316118 BFGS: 268 22:16:24 -108.169383 183.679426 BFGS: 269 22:16:24 -108.169390 175.464325 BFGS: 270 22:16:24 -108.169403 166.490599 BFGS: 271 22:16:24 -108.169431 156.097715 BFGS: 272 22:16:24 -108.169490 140.734399 BFGS: 273 22:16:24 -108.169594 107.301774 BFGS: 274 22:16:25 -108.169737 81.373067 BFGS: 275 22:16:25 -108.169842 63.256590 BFGS: 276 22:16:25 -108.169880 19.900146 BFGS: 277 22:16:25 -108.169799 654.805740 BFGS: 278 22:16:25 -108.169920 87.487583 BFGS: 279 22:16:25 -108.169944 70.348113 BFGS: 280 22:16:25 -108.169780 324.279151 BFGS: 281 22:16:25 -108.169649 23.437543 BFGS: 282 22:16:25 -108.169906 160.871224 BFGS: 283 22:16:25 -108.169385 713.829457 BFGS: 284 22:16:25 -108.169486 74.620110 BFGS: 285 22:16:25 -108.169727 65.319568 BFGS: 286 22:16:25 -108.167582 171.922451 BFGS: 287 22:16:25 -108.167857 85.133088 BFGS: 288 22:16:25 -108.168673 94.459360 BFGS: 289 22:16:25 -108.168840 102.297955 BFGS: 290 22:16:25 -108.151564 53.065371 BFGS: 291 22:16:26 -108.168570 152.388291 Minimization stalled after 292 steps. Maximum force component: 148.16142685201095 eV/Angstrom Maximum stress component: 0.001983813924602044 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', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti'] basis = [[4.12159766e-07 1.53856540e-07 9.99999864e-01] [4.99999588e-01 9.99999846e-01 4.99999864e-01] [9.99999588e-01 5.00000154e-01 5.00000136e-01] [5.00000412e-01 4.99999846e-01 1.35578912e-07] [9.99999588e-01 9.99999846e-01 1.35578912e-07] [5.00000412e-01 1.53856540e-07 5.00000136e-01] [4.12159766e-07 4.99999846e-01 4.99999864e-01] [4.99999588e-01 5.00000154e-01 9.99999864e-01] [6.15740556e-01 2.50190477e-01 2.50014158e-01] [8.84259444e-01 7.49809523e-01 7.50014158e-01] [3.84259444e-01 7.50190477e-01 2.49985842e-01] [1.15740556e-01 2.49809523e-01 7.49985842e-01] [3.84259444e-01 7.49809523e-01 7.49985842e-01] [1.15740556e-01 2.50190477e-01 2.49985842e-01] [6.15740556e-01 2.49809523e-01 7.50014158e-01] [8.84259444e-01 7.50190477e-01 2.50014158e-01] [8.81819315e-01 1.47182713e-01 1.88469502e-04] [6.18180685e-01 8.52817287e-01 5.00188470e-01] [1.18180685e-01 6.47182713e-01 4.99811530e-01] [3.81819315e-01 3.52817287e-01 9.99811530e-01] [1.18180685e-01 8.52817287e-01 9.99811530e-01] [3.81819315e-01 1.47182713e-01 4.99811530e-01] [8.81819315e-01 3.52817287e-01 5.00188470e-01] [6.18180685e-01 6.47182713e-01 1.88469502e-04]] cellpar = Cell([[4.899921905232914, -5.88635109550743e-34, 0.0], [1.246628878561523e-32, 9.553699738580848, 0.0], [0.0, 0.0, 5.60298717113169]]) forces = [[ 1.48161427e+02 -2.66178347e+01 -5.82324075e+01] [-1.48161427e+02 2.66178347e+01 -5.82324075e+01] [-1.48161427e+02 -2.66178347e+01 5.82324075e+01] [ 1.48161427e+02 2.66178347e+01 5.82324075e+01] [-1.48161427e+02 2.66178347e+01 5.82324075e+01] [ 1.48161427e+02 -2.66178347e+01 5.82324075e+01] [ 1.48161427e+02 2.66178347e+01 -5.82324075e+01] [-1.48161427e+02 -2.66178347e+01 -5.82324075e+01] [-1.13161155e-03 -7.20485250e-03 -2.28307837e-03] [ 1.13161155e-03 7.20485250e-03 -2.28307837e-03] [ 1.13161155e-03 -7.20485250e-03 2.28307837e-03] [-1.13161155e-03 7.20485250e-03 2.28307837e-03] [ 1.13161155e-03 7.20485250e-03 2.28307837e-03] [-1.13161155e-03 -7.20485250e-03 2.28307837e-03] [-1.13161155e-03 7.20485250e-03 -2.28307837e-03] [ 1.13161155e-03 -7.20485250e-03 -2.28307837e-03] [-1.94898674e-02 2.59655228e-02 3.02990938e-02] [ 1.94898674e-02 -2.59655228e-02 3.02990938e-02] [ 1.94898674e-02 2.59655228e-02 -3.02990938e-02] [-1.94898674e-02 -2.59655228e-02 -3.02990938e-02] [ 1.94898674e-02 -2.59655228e-02 -3.02990938e-02] [-1.94898674e-02 2.59655228e-02 -3.02990938e-02] [-1.94898674e-02 -2.59655228e-02 3.02990938e-02] [ 1.94898674e-02 2.59655228e-02 3.02990938e-02]] stress = [-9.22647626e-04 -1.61245342e-03 -1.98381392e-03 0.00000000e+00 0.00000000e+00 8.62798351e-30] energy per atom = -4.507023751301191 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'Ti'] representative atom coordinates = [[0.13401724 0.78894143 0.37468927] [0.49687022 0.97602177 0.73751235] [0.25680283 0.88464842 0.04093625]] spacegroup = 61 cell = [[4.8825, 0, 0], [0, 9.569, 0], [0, 0, 5.037]] ========================================= Step Time Energy fmax BFGS: 0 22:16:27 -74.381803 2.933124 BFGS: 1 22:16:28 -76.025112 2.345568 BFGS: 2 22:16:28 -77.660416 2.311318 BFGS: 3 22:16:28 -78.862725 2.384609 BFGS: 4 22:16:29 -79.773624 2.505120 BFGS: 5 22:16:29 -80.542021 2.625343 BFGS: 6 22:16:29 -81.230535 2.699458 BFGS: 7 22:16:29 -81.871999 2.721848 BFGS: 8 22:16:29 -82.473275 2.701437 BFGS: 9 22:16:29 -83.042077 2.655977 BFGS: 10 22:16:29 -83.577773 2.578064 BFGS: 11 22:16:29 -84.077115 2.474987 BFGS: 12 22:16:29 -84.543332 2.346241 BFGS: 13 22:16:29 -84.980590 2.190519 BFGS: 14 22:16:29 -85.394856 2.006502 BFGS: 15 22:16:29 -85.791834 1.759113 BFGS: 16 22:16:29 -86.176139 1.472313 BFGS: 17 22:16:29 -86.560888 1.209631 BFGS: 18 22:16:29 -86.956928 1.166702 BFGS: 19 22:16:29 -87.345810 1.194915 BFGS: 20 22:16:29 -87.722639 1.206385 BFGS: 21 22:16:29 -88.087828 1.195959 BFGS: 22 22:16:29 -88.437827 1.162416 BFGS: 23 22:16:29 -88.770670 1.117849 BFGS: 24 22:16:30 -89.110557 1.126428 BFGS: 25 22:16:30 -89.469266 1.282157 BFGS: 26 22:16:30 -89.830387 1.513627 BFGS: 27 22:16:30 -90.183885 1.771517 BFGS: 28 22:16:30 -90.526978 1.897474 BFGS: 29 22:16:30 -90.919173 1.791131 BFGS: 30 22:16:30 -91.442766 1.624916 BFGS: 31 22:16:30 -92.095208 1.735286 BFGS: 32 22:16:30 -92.826044 1.852114 BFGS: 33 22:16:30 -93.562282 1.954691 BFGS: 34 22:16:30 -94.354676 2.031580 BFGS: 35 22:16:30 -95.235997 2.019230 BFGS: 36 22:16:30 -96.131798 1.988446 BFGS: 37 22:16:30 -97.051283 1.963018 BFGS: 38 22:16:30 -97.994286 1.928000 BFGS: 39 22:16:30 -98.979249 1.854436 BFGS: 40 22:16:30 -99.955576 1.859171 BFGS: 41 22:16:30 -100.878408 2.013957 BFGS: 42 22:16:30 -101.732995 2.126733 BFGS: 43 22:16:30 -102.506903 2.191875 BFGS: 44 22:16:30 -103.208785 2.223408 BFGS: 45 22:16:30 -103.854555 2.225615 BFGS: 46 22:16:30 -104.444224 2.239196 BFGS: 47 22:16:30 -104.975712 2.238914 BFGS: 48 22:16:31 -105.463839 2.231784 BFGS: 49 22:16:31 -105.913408 2.216953 BFGS: 50 22:16:31 -106.324356 2.189846 BFGS: 51 22:16:31 -106.695852 2.151766 BFGS: 52 22:16:31 -107.030581 2.102715 BFGS: 53 22:16:31 -107.335325 2.043101 BFGS: 54 22:16:31 -107.617761 1.956824 BFGS: 55 22:16:31 -107.881324 1.840719 BFGS: 56 22:16:31 -108.133468 1.723360 BFGS: 57 22:16:31 -108.380639 1.689864 BFGS: 58 22:16:31 -108.630371 1.771725 BFGS: 59 22:16:31 -108.885618 1.876978 BFGS: 60 22:16:31 -109.147730 2.005589 BFGS: 61 22:16:31 -109.414646 2.120851 BFGS: 62 22:16:31 -109.687536 2.243668 BFGS: 63 22:16:31 -109.964257 2.367635 BFGS: 64 22:16:31 -110.241216 2.511232 BFGS: 65 22:16:31 -110.509599 2.640483 BFGS: 66 22:16:31 -110.768002 2.750684 BFGS: 67 22:16:31 -111.048955 2.866744 BFGS: 68 22:16:31 -111.366592 3.004923 BFGS: 69 22:16:31 -111.820126 3.167360 BFGS: 70 22:16:31 -112.180274 3.314717 BFGS: 71 22:16:31 -112.531736 3.450519 BFGS: 72 22:16:31 -112.922784 3.613703 BFGS: 73 22:16:31 -113.306589 3.751413 BFGS: 74 22:16:31 -113.814014 3.866669 BFGS: 75 22:16:31 -114.236792 3.943249 BFGS: 76 22:16:32 -114.495322 3.974454 BFGS: 77 22:16:32 -114.885885 3.983763 BFGS: 78 22:16:32 -115.102247 3.946332 BFGS: 79 22:16:32 -115.380319 3.919328 BFGS: 80 22:16:32 -115.581762 3.920290 BFGS: 81 22:16:32 -115.798591 3.977464 BFGS: 82 22:16:32 -116.018900 4.034073 BFGS: 83 22:16:32 -116.247165 4.086546 BFGS: 84 22:16:32 -116.466030 4.128048 BFGS: 85 22:16:32 -116.874800 4.189515 BFGS: 86 22:16:32 -117.602670 4.308905 BFGS: 87 22:16:32 -118.373151 4.440307 BFGS: 88 22:16:32 -119.071206 4.594957 BFGS: 89 22:16:32 -119.947628 4.768497 BFGS: 90 22:16:32 -120.789275 4.941086 BFGS: 91 22:16:32 -121.532148 5.087499 BFGS: 92 22:16:33 -122.239656 5.205115 BFGS: 93 22:16:33 -122.950139 5.307316 BFGS: 94 22:16:33 -123.661427 5.401100 BFGS: 95 22:16:33 -124.374333 5.485663 BFGS: 96 22:16:33 -125.081412 5.554145 BFGS: 97 22:16:33 -125.766947 5.656501 BFGS: 98 22:16:33 -126.449855 5.725575 BFGS: 99 22:16:33 -127.142607 5.785205 BFGS: 100 22:16:33 -127.851425 5.803926 BFGS: 101 22:16:33 -128.583243 5.801595 BFGS: 102 22:16:33 -129.320907 5.721843 BFGS: 103 22:16:33 -130.031779 5.632027 BFGS: 104 22:16:33 -130.665640 5.553654 BFGS: 105 22:16:33 -131.210178 5.484750 BFGS: 106 22:16:33 -131.661016 5.378489 BFGS: 107 22:16:33 -132.145725 5.193396 BFGS: 108 22:16:33 -132.626863 5.063432 BFGS: 109 22:16:33 -132.948757 5.043087 BFGS: 110 22:16:33 -133.119927 5.009390 BFGS: 111 22:16:33 -133.225601 15.387864 BFGS: 112 22:16:33 -133.242056 38.775969 BFGS: 113 22:16:33 -133.802776 5.337263 BFGS: 114 22:16:33 -134.160577 5.360471 BFGS: 115 22:16:33 -134.377033 7.184998 BFGS: 116 22:16:33 -134.594667 7.416708 BFGS: 117 22:16:33 -134.823350 7.093533 BFGS: 118 22:16:33 -135.059554 6.364466 BFGS: 119 22:16:33 -135.295339 5.526109 BFGS: 120 22:16:33 -135.534027 5.497427 BFGS: 121 22:16:34 -135.779343 5.431927 BFGS: 122 22:16:34 -136.045311 5.344114 BFGS: 123 22:16:34 -136.328163 5.219350 BFGS: 124 22:16:34 -136.613351 5.057961 BFGS: 125 22:16:34 -136.875503 4.854031 BFGS: 126 22:16:34 -137.121774 4.608496 BFGS: 127 22:16:34 -137.358463 4.321676 BFGS: 128 22:16:34 -137.591409 4.001139 BFGS: 129 22:16:34 -137.826933 3.705286 BFGS: 130 22:16:34 -138.064694 3.466514 BFGS: 131 22:16:34 -138.303354 3.371798 BFGS: 132 22:16:34 -138.528249 4.344256 BFGS: 133 22:16:34 -138.738141 6.766906 BFGS: 134 22:16:34 -138.940564 10.519428 BFGS: 135 22:16:34 -139.154514 15.404004 BFGS: 136 22:16:34 -139.379904 21.789600 BFGS: 137 22:16:34 -139.625883 26.838197 BFGS: 138 22:16:34 -139.834742 29.038079 BFGS: 139 22:16:34 -140.263743 118.066647 BFGS: 140 22:16:34 -140.527709 94.493420 BFGS: 141 22:16:34 -140.837158 10.743708 BFGS: 142 22:16:34 -141.073914 33.621423 BFGS: 143 22:16:34 -141.435139 93.344142 BFGS: 144 22:16:34 -141.768195 88.702851 BFGS: 145 22:16:34 -142.085690 118.211583 BFGS: 146 22:16:35 -142.405815 162.952425 BFGS: 147 22:16:35 -142.727206 229.039687 BFGS: 148 22:16:35 -143.014461 231.144372 BFGS: 149 22:16:35 -143.334174 239.282547 BFGS: 150 22:16:35 -143.645877 235.198532 BFGS: 151 22:16:35 -143.933272 221.674325 BFGS: 152 22:16:35 -144.199232 208.381517 BFGS: 153 22:16:35 -144.440894 196.129936 BFGS: 154 22:16:35 -144.675572 188.681425 BFGS: 155 22:16:35 -144.905115 183.735743 BFGS: 156 22:16:35 -145.130844 179.824341 BFGS: 157 22:16:35 -145.348062 176.350607 BFGS: 158 22:16:35 -145.558658 172.656653 BFGS: 159 22:16:35 -145.765309 168.056021 BFGS: 160 22:16:35 -145.979044 162.115168 BFGS: 161 22:16:35 -146.199429 154.270773 BFGS: 162 22:16:35 -146.419088 144.686112 BFGS: 163 22:16:35 -146.695343 132.058076 BFGS: 164 22:16:35 -147.039600 113.603565 BFGS: 165 22:16:35 -147.463095 98.816796 BFGS: 166 22:16:35 -147.758158 92.213897 BFGS: 167 22:16:35 -147.978300 90.150640 BFGS: 168 22:16:35 -148.209857 87.032623 BFGS: 169 22:16:35 -148.415822 83.648015 BFGS: 170 22:16:35 -148.613145 79.407250 BFGS: 171 22:16:35 -148.812479 74.641958 BFGS: 172 22:16:35 -149.013320 69.404621 BFGS: 173 22:16:35 -149.213395 63.740959 BFGS: 174 22:16:36 -149.414964 57.857859 BFGS: 175 22:16:36 -149.622251 51.883038 BFGS: 176 22:16:36 -149.841191 45.864683 BFGS: 177 22:16:36 -150.079210 39.864807 BFGS: 178 22:16:36 -150.343517 33.960607 BFGS: 179 22:16:36 -150.637621 28.194227 BFGS: 180 22:16:36 -150.958894 22.604472 BFGS: 181 22:16:36 -151.292699 17.291670 BFGS: 182 22:16:36 -151.604692 12.395792 BFGS: 183 22:16:36 -151.831604 8.321844 BFGS: 184 22:16:36 -151.924501 6.318375 BFGS: 185 22:16:36 -151.957056 5.848201 BFGS: 186 22:16:36 -152.002200 5.358174 BFGS: 187 22:16:36 -152.024499 5.255823 BFGS: 188 22:16:36 -152.070624 5.204017 BFGS: 189 22:16:36 -152.115950 5.340989 BFGS: 190 22:16:36 -152.168006 5.893993 BFGS: 191 22:16:36 -152.198608 6.254832 BFGS: 192 22:16:36 -152.217877 6.281301 BFGS: 193 22:16:36 -152.248791 6.061705 BFGS: 194 22:16:36 -152.317387 8.243830 BFGS: 195 22:16:36 -152.380970 16.818439 BFGS: 196 22:16:36 -152.441678 7.910978 BFGS: 197 22:16:36 -152.473044 17.407203 BFGS: 198 22:16:37 -152.479410 15.369276 BFGS: 199 22:16:37 -152.484299 15.724523 BFGS: 200 22:16:37 -152.510450 12.990642 BFGS: 201 22:16:37 -152.407654 275.184049 BFGS: 202 22:16:37 -152.536705 9.437777 BFGS: 203 22:16:37 -152.547639 10.770060 BFGS: 204 22:16:37 -152.584504 13.057335 BFGS: 205 22:16:37 -152.596658 21.886066 BFGS: 206 22:16:37 -152.524207 274.801479 BFGS: 207 22:16:37 -152.615269 18.919320 BFGS: 208 22:16:37 -152.618843 22.056402 BFGS: 209 22:16:37 -152.631910 44.988452 BFGS: 210 22:16:37 -152.640114 86.811078 BFGS: 211 22:16:37 -152.649901 104.252598 BFGS: 212 22:16:37 -152.671717 40.541114 BFGS: 213 22:16:37 -152.703578 49.000722 BFGS: 214 22:16:37 -152.828679 249.878291 BFGS: 215 22:16:37 -152.874866 48.977571 BFGS: 216 22:16:37 -152.965166 51.597714 BFGS: 217 22:16:37 -153.006180 58.965745 BFGS: 218 22:16:37 -153.010445 59.106401 BFGS: 219 22:16:37 -153.048663 52.608179 BFGS: 220 22:16:37 -153.066785 12.914527 BFGS: 221 22:16:37 -152.781472 1525.255465 BFGS: 222 22:16:37 -152.808871 154.894463 BFGS: 223 22:16:37 -152.845697 57.258689 BFGS: 224 22:16:38 -152.934299 52.051081 BFGS: 225 22:16:38 -152.975811 45.595245 BFGS: 226 22:16:38 -152.981699 41.303179 BFGS: 227 22:16:38 -152.984817 38.075501 BFGS: 228 22:16:38 -152.997471 27.044485 BFGS: 229 22:16:38 -153.007315 20.558470 BFGS: 230 22:16:38 -153.017378 16.675745 BFGS: 231 22:16:38 -153.022923 15.432484 BFGS: 232 22:16:38 -153.024716 14.672656 BFGS: 233 22:16:38 -153.025659 14.379766 BFGS: 234 22:16:38 -153.026455 13.864828 BFGS: 235 22:16:38 -153.027055 13.268816 BFGS: 236 22:16:38 -153.027349 12.882315 BFGS: 237 22:16:38 -153.027491 12.689697 BFGS: 238 22:16:38 -153.027580 12.591299 BFGS: 239 22:16:38 -153.027688 12.528863 BFGS: 240 22:16:38 -153.027968 12.451282 BFGS: 241 22:16:38 -153.028684 12.355361 BFGS: 242 22:16:38 -153.030618 12.255318 BFGS: 243 22:16:38 -153.035687 12.195915 BFGS: 244 22:16:38 -153.049271 11.913919 BFGS: 245 22:16:38 -153.065501 10.408289 BFGS: 246 22:16:38 -153.068626 11.197617 BFGS: 247 22:16:38 -153.087564 7.853558 BFGS: 248 22:16:39 -153.105999 6.655385 BFGS: 249 22:16:39 -153.126696 4.519672 BFGS: 250 22:16:39 -153.129651 4.080871 BFGS: 251 22:16:39 -153.131638 4.473739 BFGS: 252 22:16:39 -153.132734 4.571133 BFGS: 253 22:16:39 -153.135322 4.118246 BFGS: 254 22:16:39 -153.135708 3.767669 BFGS: 255 22:16:39 -153.135786 3.634917 BFGS: 256 22:16:39 -153.135826 3.498320 BFGS: 257 22:16:39 -153.135835 3.475726 BFGS: 258 22:16:39 -153.135879 3.390291 BFGS: 259 22:16:39 -153.135909 3.362625 BFGS: 260 22:16:39 -153.136011 3.324069 BFGS: 261 22:16:39 -153.136224 3.298272 BFGS: 262 22:16:39 -153.136803 3.290262 BFGS: 263 22:16:39 -153.138516 3.357812 BFGS: 264 22:16:39 -153.142680 3.704668 BFGS: 265 22:16:39 -153.153655 5.254199 BFGS: 266 22:16:39 -153.178646 11.894709 BFGS: 267 22:16:39 -153.198745 5.356444 BFGS: 268 22:16:39 -153.209607 9.238989 BFGS: 269 22:16:39 -153.216398 5.411820 BFGS: 270 22:16:39 -153.220562 5.509801 BFGS: 271 22:16:39 -153.220848 5.745108 BFGS: 272 22:16:39 -153.220895 5.829577 BFGS: 273 22:16:39 -153.220905 5.828886 BFGS: 274 22:16:40 -153.220915 5.816608 BFGS: 275 22:16:40 -153.220924 5.804150 BFGS: 276 22:16:40 -153.220962 5.761090 BFGS: 277 22:16:40 -153.221045 5.694108 BFGS: 278 22:16:40 -153.221276 5.567180 BFGS: 279 22:16:40 -153.221857 5.359274 BFGS: 280 22:16:40 -153.223377 5.017895 BFGS: 281 22:16:40 -153.227231 4.497034 BFGS: 282 22:16:40 -153.236635 3.897781 BFGS: 283 22:16:40 -153.254977 5.579984 BFGS: 284 22:16:40 -153.275341 11.870004 BFGS: 285 22:16:40 -153.304919 11.461507 BFGS: 286 22:16:40 -153.029924 192.634957 BFGS: 287 22:16:40 -153.295311 7.119858 BFGS: 288 22:16:40 -153.292958 25.914072 BFGS: 289 22:16:40 -153.312299 2.688974 BFGS: 290 22:16:40 -153.317685 1.843063 BFGS: 291 22:16:40 -153.320281 14.704723 BFGS: 292 22:16:40 -153.324286 6.610495 BFGS: 293 22:16:40 -153.328557 4.949705 BFGS: 294 22:16:40 -153.192556 69.300095 BFGS: 295 22:16:40 -153.243817 24.241991 BFGS: 296 22:16:40 -152.586462 88.074762 BFGS: 297 22:16:40 -153.100929 8.478943 BFGS: 298 22:16:40 -153.134941 4.412657 BFGS: 299 22:16:41 -153.174689 3.235057 BFGS: 300 22:16:41 -153.205736 6.303827 BFGS: 301 22:16:41 -153.239586 3.677660 BFGS: 302 22:16:41 -153.264673 5.909495 BFGS: 303 22:16:41 -153.275638 15.678090 BFGS: 304 22:16:41 -153.302684 10.112671 BFGS: 305 22:16:41 -153.323411 5.862331 BFGS: 306 22:16:41 -151.933533 825.784145 BFGS: 307 22:16:41 -153.329475 10.504225 BFGS: 308 22:16:41 -153.274290 22.522291 BFGS: 309 22:16:41 -153.332028 4.470347 BFGS: 310 22:16:41 -153.330731 10.380677 BFGS: 311 22:16:41 -153.335169 1.400498 BFGS: 312 22:16:41 -153.335407 1.960648 BFGS: 313 22:16:41 -153.335762 3.133899 BFGS: 314 22:16:41 -153.336364 4.273248 BFGS: 315 22:16:41 -153.338746 8.167678 BFGS: 316 22:16:41 -153.342939 13.036301 BFGS: 317 22:16:41 -153.355827 48.074466 BFGS: 318 22:16:41 -153.324460 30.933657 BFGS: 319 22:16:41 -153.309818 169.369804 BFGS: 320 22:16:41 -153.344737 48.052506 BFGS: 321 22:16:41 -153.165935 72.428672 BFGS: 322 22:16:41 -152.859948 133.057534 BFGS: 323 22:16:41 -153.078186 7.527214 BFGS: 324 22:16:41 -153.107283 6.065390 BFGS: 325 22:16:42 -153.139452 10.803010 BFGS: 326 22:16:42 -153.149996 6.350715 BFGS: 327 22:16:42 -153.155823 7.589169 BFGS: 328 22:16:42 -153.161115 9.985629 BFGS: 329 22:16:42 -153.165298 10.131350 BFGS: 330 22:16:42 -153.178053 55.055204 BFGS: 331 22:16:42 -153.164978 31.017307 BFGS: 332 22:16:42 -153.100339 4.398278 BFGS: 333 22:16:42 -153.167552 7.762884 BFGS: 334 22:16:42 -152.999257 25.057776 BFGS: 335 22:16:42 -152.786470 7.141250 BFGS: 336 22:16:42 -152.915805 8.962020 BFGS: 337 22:16:42 -153.072380 29.951726 BFGS: 338 22:16:42 -153.112405 14.563882 BFGS: 339 22:16:42 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22:19:19 -153.285749 8.860542 BFGS: 8166 22:19:19 -153.289086 11.841699 BFGS: 8167 22:19:19 -153.293648 12.402291 BFGS: 8168 22:19:19 -153.306991 12.503518 BFGS: 8169 22:19:19 -152.821661 1713.461918 BFGS: 8170 22:19:19 -152.015967 30.517636 BFGS: 8171 22:19:19 -152.155154 100.996115 BFGS: 8172 22:19:19 -152.636704 42.787159 BFGS: 8173 22:19:19 -152.902571 53.251780 BFGS: 8174 22:19:19 -151.965688 12.063256 BFGS: 8175 22:19:20 -152.191957 75.372998 BFGS: 8176 22:19:20 -152.944455 42.943781 BFGS: 8177 22:19:20 -153.089878 13.503223 BFGS: 8178 22:19:20 -153.102375 9.836957 BFGS: 8179 22:19:20 -153.109254 6.293314 BFGS: 8180 22:19:20 -153.109926 5.498613 BFGS: 8181 22:19:20 -153.110433 5.022901 BFGS: 8182 22:19:20 -153.111569 4.397400 BFGS: 8183 22:19:20 -153.114100 3.740714 BFGS: 8184 22:19:20 -153.119816 3.753192 BFGS: 8185 22:19:20 -153.131711 7.267758 BFGS: 8186 22:19:20 -153.138950 45.470758 BFGS: 8187 22:19:20 -153.192820 11.216960 BFGS: 8188 22:19:20 -152.764508 277.181446 BFGS: 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22:19:20 -153.197793 34.990407 BFGS: 8214 22:19:20 -153.260506 57.181078 BFGS: 8215 22:19:20 -153.084360 517.684904 BFGS: 8216 22:19:20 -153.269676 55.585297 BFGS: 8217 22:19:20 -153.274395 54.417530 BFGS: 8218 22:19:20 -153.291685 43.113417 BFGS: 8219 22:19:20 -153.300245 31.938574 BFGS: 8220 22:19:20 -153.127140 385.723533 BFGS: 8221 22:19:20 -153.309508 30.054533 BFGS: 8222 22:19:20 -153.314056 28.023383 BFGS: 8223 22:19:20 -153.323752 11.814087 BFGS: 8224 22:19:20 -153.325187 4.699789 BFGS: 8225 22:19:20 -153.326556 9.526325 BFGS: 8226 22:19:20 -153.326763 6.661140 BFGS: 8227 22:19:20 -153.327117 4.860473 BFGS: 8228 22:19:20 -153.327911 2.775649 BFGS: 8229 22:19:20 -153.329467 1.235144 BFGS: 8230 22:19:20 -153.333434 17.590606 BFGS: 8231 22:19:20 -153.323638 23.425948 BFGS: 8232 22:19:20 -153.334326 140.375767 BFGS: 8233 22:19:20 -153.278433 35.772863 BFGS: 8234 22:19:20 -153.300805 239.091655 BFGS: 8235 22:19:20 -153.308016 32.513273 BFGS: 8236 22:19:20 -153.315071 22.098200 BFGS: 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BFGS: 8497 22:19:24 -153.341562 13.852380 BFGS: 8498 22:19:24 -153.342187 5.897014 BFGS: 8499 22:19:24 -153.342446 8.405906 BFGS: 8500 22:19:24 -153.342517 11.083017 BFGS: 8501 22:19:24 -153.342543 11.981134 BFGS: 8502 22:19:24 -153.342674 41.224977 BFGS: 8503 22:19:24 -153.342827 18.148061 BFGS: 8504 22:19:24 -153.342898 20.519812 BFGS: 8505 22:19:24 -153.342927 24.714038 BFGS: 8506 22:19:24 -153.342971 23.020656 BFGS: 8507 22:19:25 -153.342986 26.391023 BFGS: 8508 22:19:25 -153.342995 35.344827 BFGS: 8509 22:19:25 -153.342998 30.743083 BFGS: 8510 22:19:25 -153.343008 33.797125 BFGS: 8511 22:19:25 -153.343047 29.648432 BFGS: 8512 22:19:25 -153.343150 27.530945 BFGS: 8513 22:19:25 -153.343305 63.504569 BFGS: 8514 22:19:25 -153.343861 12.062187 BFGS: 8515 22:19:25 -153.343911 59.258237 BFGS: 8516 22:19:25 -153.343959 21.510941 BFGS: 8517 22:19:25 -153.344055 9.343146 BFGS: 8518 22:19:25 -153.337648 499.356726 BFGS: 8519 22:19:25 -153.308682 412.244506 BFGS: 8520 22:19:25 -153.320872 18.438139 BFGS: 8521 22:19:25 -153.322298 19.199064 BFGS: 8522 22:19:25 -153.322472 19.683669 BFGS: 8523 22:19:25 -153.323203 22.843963 BFGS: 8524 22:19:25 -153.324441 32.627934 BFGS: 8525 22:19:25 -153.310825 66.288249 BFGS: 8526 22:19:25 -153.325949 43.931100 BFGS: 8527 22:19:25 -153.327337 62.462364 BFGS: 8528 22:19:25 -153.313535 66.190992 BFGS: 8529 22:19:25 -153.331909 173.636590 BFGS: 8530 22:19:25 -153.316607 137.282646 BFGS: 8531 22:19:25 -153.317405 105.884986 BFGS: 8532 22:19:25 -153.321136 121.570970 BFGS: 8533 22:19:25 -153.201343 32.946678 BFGS: 8534 22:19:25 -153.239479 778.660951 BFGS: 8535 22:19:25 -153.269162 41.797470 BFGS: 8536 22:19:25 -153.299311 45.539944 BFGS: 8537 22:19:25 -153.323943 169.409359 BFGS: 8538 22:19:25 -153.326087 45.016932 BFGS: 8539 22:19:25 -153.333758 40.184132 BFGS: 8540 22:19:25 -153.338108 29.137250 BFGS: 8541 22:19:25 -153.339628 23.114906 BFGS: 8542 22:19:25 -153.340217 18.917505 BFGS: 8543 22:19:25 -153.340630 25.215261 BFGS: 8544 22:19:25 -153.340886 27.604844 BFGS: 8545 22:19:25 -153.341259 34.696780 BFGS: 8546 22:19:25 -153.341341 35.128106 BFGS: 8547 22:19:25 -153.343440 14.411189 BFGS: 8548 22:19:25 -153.342947 29.501319 BFGS: 8549 22:19:25 -153.343620 25.302962 BFGS: 8550 22:19:25 -152.842944 11500.983494 BFGS: 8551 22:19:25 -153.333581 252.770865 BFGS: 8552 22:19:25 -153.263190 3.410785 BFGS: 8553 22:19:25 -153.284820 3.125424 BFGS: 8554 22:19:25 -153.300913 3.829163 BFGS: 8555 22:19:25 -153.302773 3.796777 BFGS: 8556 22:19:25 -153.313384 4.596391 BFGS: 8557 22:19:25 -153.327290 9.645192 BFGS: 8558 22:19:25 -153.260027 9.553623 BFGS: 8559 22:19:25 -153.337738 18.750505 BFGS: 8560 22:19:25 -153.310922 137.587546 BFGS: 8561 22:19:25 -153.295389 17.699498 BFGS: 8562 22:19:25 -153.307533 25.063064 BFGS: 8563 22:19:25 -153.319824 42.368010 BFGS: 8564 22:19:25 -153.339207 158.623589 BFGS: 8565 22:19:25 -153.251747 16.843834 BFGS: 8566 22:19:25 -153.299343 225.214092 BFGS: 8567 22:19:25 -153.300847 20.823284 BFGS: 8568 22:19:25 -153.306556 23.318086 BFGS: 8569 22:19:25 -153.312149 31.900604 BFGS: 8570 22:19:25 -153.334430 64.982354 BFGS: 8571 22:19:26 -153.258177 725.126542 BFGS: 8572 22:19:26 -153.241394 65.470975 BFGS: 8573 22:19:26 -153.311098 44.706658 BFGS: 8574 22:19:26 -153.317821 53.451686 BFGS: 8575 22:19:26 -153.318272 52.598995 BFGS: 8576 22:19:26 -153.318497 52.625551 BFGS: 8577 22:19:26 -153.318654 53.438260 BFGS: 8578 22:19:26 -153.319312 59.279402 BFGS: 8579 22:19:26 -153.320123 77.436847 BFGS: 8580 22:19:26 -153.320653 87.934665 BFGS: 8581 22:19:26 -153.321019 85.707173 BFGS: 8582 22:19:26 -153.321147 91.088944 BFGS: 8583 22:19:26 -153.321202 92.659960 BFGS: 8584 22:19:26 -153.321329 96.616587 BFGS: 8585 22:19:26 -153.321566 102.254772 BFGS: 8586 22:19:26 -153.322423 137.121461 BFGS: 8587 22:19:26 -153.323513 297.117000 BFGS: 8588 22:19:26 -153.322087 56.732268 BFGS: 8589 22:19:26 -153.332143 181.535852 BFGS: 8590 22:19:26 -153.321726 203.210169 BFGS: 8591 22:19:26 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8615 22:19:26 -153.318097 67.281759 BFGS: 8616 22:19:26 -153.319243 79.902949 BFGS: 8617 22:19:26 -153.323867 154.362476 BFGS: 8618 22:19:26 -153.307249 29.784762 BFGS: 8619 22:19:26 -153.304054 11.255270 BFGS: 8620 22:19:26 -153.315331 15.400959 BFGS: 8621 22:19:26 -153.329408 105.143765 BFGS: 8622 22:19:26 -153.328875 43.493859 BFGS: 8623 22:19:26 -153.331159 56.567786 BFGS: 8624 22:19:26 -153.329697 153.642223 BFGS: 8625 22:19:26 -153.332969 61.533111 BFGS: 8626 22:19:27 -153.334152 64.164675 BFGS: 8627 22:19:27 -153.234828 27.355302 BFGS: 8628 22:19:27 -153.322687 684.750535 BFGS: 8629 22:19:27 -153.300466 13.276117 BFGS: 8630 22:19:27 -153.310388 14.889817 BFGS: 8631 22:19:27 -153.323015 21.089766 BFGS: 8632 22:19:27 -153.323398 20.305497 BFGS: 8633 22:19:27 -153.323675 20.064937 BFGS: 8634 22:19:27 -153.324513 19.774401 BFGS: 8635 22:19:27 -153.325683 19.632845 BFGS: 8636 22:19:27 -153.326971 19.220082 BFGS: 8637 22:19:27 -153.328023 20.320735 BFGS: 8638 22:19:27 -153.329135 22.979939 BFGS: 8639 22:19:27 -153.329504 24.153967 BFGS: 8640 22:19:27 -153.333617 48.977033 BFGS: 8641 22:19:27 -153.227274 13.553189 BFGS: 8642 22:19:27 -153.329851 108.397639 BFGS: 8643 22:19:27 -153.090145 243.795817 BFGS: 8644 22:19:27 -153.075834 63.587210 BFGS: 8645 22:19:27 -153.314958 127.736359 BFGS: 8646 22:19:27 -153.165110 66.244195 BFGS: 8647 22:19:27 -153.232469 63.870672 BFGS: 8648 22:19:27 -152.791779 448.056644 BFGS: 8649 22:19:27 -153.290799 23.261816 BFGS: 8650 22:19:27 -153.310231 14.419617 BFGS: 8651 22:19:27 -153.311957 30.868573 BFGS: 8652 22:19:27 -153.313254 23.010640 BFGS: 8653 22:19:27 -153.314191 21.749549 BFGS: 8654 22:19:27 -153.320757 21.118528 BFGS: 8655 22:19:27 -153.326091 23.967489 BFGS: 8656 22:19:27 -153.282822 46.621163 BFGS: 8657 22:19:27 -153.278810 19.264285 BFGS: 8658 22:19:27 -152.850106 2377.506739 BFGS: 8659 22:19:27 -152.589792 58.458140 BFGS: 8660 22:19:27 -152.613871 62.133279 BFGS: 8661 22:19:27 -152.778216 88.232610 BFGS: 8662 22:19:27 -152.667038 33.904225 BFGS: 8663 22:19:27 -152.816954 87.068194 BFGS: 8664 22:19:27 -152.917016 81.062902 BFGS: 8665 22:19:27 -152.277826 46.639377 BFGS: 8666 22:19:27 -152.613362 48.812318 BFGS: 8667 22:19:27 -152.175810 147.836355 BFGS: 8668 22:19:27 -151.843283 16.745670 BFGS: 8669 22:19:27 -152.012764 33.956545 BFGS: 8670 22:19:27 -152.621407 22.802249 BFGS: 8671 22:19:27 -152.579350 16.646190 BFGS: 8672 22:19:27 -152.624127 15.661051 BFGS: 8673 22:19:27 -152.625271 19.310780 BFGS: 8674 22:19:27 -152.626001 18.789406 BFGS: 8675 22:19:27 -152.646590 11.012635 BFGS: 8676 22:19:27 -152.670902 19.558206 BFGS: 8677 22:19:27 -152.719173 41.954782 BFGS: 8678 22:19:27 -152.962037 6.097559 BFGS: 8679 22:19:27 -152.993011 5.519221 BFGS: 8680 22:19:27 -153.007340 5.066000 BFGS: 8681 22:19:27 -153.007512 5.048903 BFGS: 8682 22:19:27 -153.008651 4.948067 BFGS: 8683 22:19:27 -153.010531 4.811341 BFGS: 8684 22:19:27 -153.015966 4.498096 BFGS: 8685 22:19:27 -153.028934 3.899923 BFGS: 8686 22:19:27 -153.056963 2.584732 BFGS: 8687 22:19:27 -153.081959 2.135487 BFGS: 8688 22:19:28 -153.087677 2.785691 BFGS: 8689 22:19:28 -153.090725 2.947447 BFGS: 8690 22:19:28 -153.090745 2.968002 BFGS: 8691 22:19:28 -153.090865 3.047863 BFGS: 8692 22:19:28 -153.091065 3.131465 BFGS: 8693 22:19:28 -153.091684 3.295311 BFGS: 8694 22:19:28 -153.093168 3.542371 BFGS: 8695 22:19:28 -153.096944 3.945595 BFGS: 8696 22:19:28 -153.105735 4.567353 BFGS: 8697 22:19:28 -153.124614 5.510636 BFGS: 8698 22:19:28 -153.164512 6.330133 BFGS: 8699 22:19:28 -153.249302 7.472380 BFGS: 8700 22:19:28 -152.918743 48.233495 BFGS: 8701 22:19:28 -152.603939 9.648334 BFGS: 8702 22:19:28 -152.861802 19.010212 BFGS: 8703 22:19:28 -152.768645 105.275693 BFGS: 8704 22:19:28 -152.970397 18.698737 BFGS: 8705 22:19:28 -152.994161 19.412116 BFGS: 8706 22:19:28 -153.215474 29.929757 BFGS: 8707 22:19:28 -152.911235 29.191540 BFGS: 8708 22:19:28 -153.124274 20.177750 BFGS: 8709 22:19:28 -152.665537 40.841057 BFGS: 8710 22:19:28 -152.874332 20.886961 BFGS: 8711 22:19:28 -153.061238 8.458447 BFGS: 8712 22:19:28 -152.700080 29.989461 BFGS: 8713 22:19:28 -153.131640 5.073459 BFGS: 8714 22:19:28 -153.158174 4.259225 BFGS: 8715 22:19:28 -153.043391 302.444324 BFGS: 8716 22:19:28 -153.091710 24.244302 BFGS: 8717 22:19:28 -153.079745 3.536324 BFGS: 8718 22:19:28 -153.135644 7.468602 BFGS: 8719 22:19:28 -153.137487 24.600022 BFGS: 8720 22:19:28 -153.169064 11.396604 BFGS: 8721 22:19:28 -153.184113 12.185203 BFGS: 8722 22:19:28 -153.041482 50.564876 BFGS: 8723 22:19:28 -152.832331 10.713392 BFGS: 8724 22:19:28 -153.019132 20.077610 BFGS: 8725 22:19:28 -152.883665 351.836976 BFGS: 8726 22:19:28 -153.102906 10.390996 BFGS: 8727 22:19:28 -153.121134 10.932349 BFGS: 8728 22:19:28 -152.936714 89.961166 BFGS: 8729 22:19:28 -152.875458 11.543525 BFGS: 8730 22:19:28 -152.946712 14.193650 BFGS: 8731 22:19:28 -152.970970 392.006275 BFGS: 8732 22:19:28 -152.922289 12.068852 BFGS: 8733 22:19:28 -152.928492 12.310854 BFGS: 8734 22:19:28 -153.265279 28.311404 BFGS: 8735 22:19:28 -153.070229 35.042210 BFGS: 8736 22:19:28 -153.071353 47.177517 BFGS: 8737 22:19:28 -153.077494 41.202855 BFGS: 8738 22:19:28 -153.094219 37.912721 BFGS: 8739 22:19:28 -153.222823 21.887622 BFGS: 8740 22:19:28 -153.027632 76.511010 BFGS: 8741 22:19:28 -153.232141 17.320645 BFGS: 8742 22:19:28 -153.239999 15.590035 BFGS: 8743 22:19:28 -153.207332 41.247785 BFGS: 8744 22:19:28 -153.250421 16.015312 BFGS: 8745 22:19:28 -153.258950 16.935782 BFGS: 8746 22:19:28 -153.103709 5.728218 BFGS: 8747 22:19:28 -153.229383 15.351910 BFGS: 8748 22:19:28 -153.136184 9.065292 BFGS: 8749 22:19:28 -153.233337 187.831885 BFGS: 8750 22:19:28 -152.928311 26.465083 BFGS: 8751 22:19:28 -152.955327 25.248690 BFGS: 8752 22:19:28 -152.307072 5.474134 BFGS: 8753 22:19:29 -152.354623 9.898316 BFGS: 8754 22:19:29 -152.594340 22.324950 BFGS: 8755 22:19:29 -153.222146 4.761846 BFGS: 8756 22:19:29 -153.173817 17.455516 BFGS: 8757 22:19:29 -153.228838 5.187690 BFGS: 8758 22:19:29 -153.230440 7.359375 BFGS: 8759 22:19:29 -153.231362 6.483815 BFGS: 8760 22:19:29 -153.231582 6.004497 BFGS: 8761 22:19:29 -153.231673 5.938972 BFGS: 8762 22:19:29 -153.232962 5.495359 BFGS: 8763 22:19:29 -153.235161 5.483768 BFGS: 8764 22:19:29 -153.241933 7.203435 BFGS: 8765 22:19:29 -153.257852 14.263602 BFGS: 8766 22:19:29 -153.213284 11.958577 BFGS: 8767 22:19:29 -153.203347 227.761207 BFGS: 8768 22:19:29 -153.289414 23.471590 BFGS: 8769 22:19:29 -153.001699 272.755390 BFGS: 8770 22:19:29 -153.289648 22.390412 BFGS: 8771 22:19:29 -153.290240 22.807739 BFGS: 8772 22:19:29 -153.210305 5.728378 BFGS: 8773 22:19:29 -153.268496 11.860810 BFGS: 8774 22:19:29 -152.796386 2.113233 BFGS: 8775 22:19:29 -153.190502 5.383792 BFGS: 8776 22:19:29 -152.738785 2.305425 BFGS: 8777 22:19:29 -153.157392 4.171952 BFGS: 8778 22:19:29 -152.725083 2.054766 BFGS: 8779 22:19:29 -153.229596 7.625831 BFGS: 8780 22:19:29 -152.690209 2.276390 BFGS: 8781 22:19:29 -153.130298 3.734609 BFGS: 8782 22:19:29 -152.764701 2.084474 BFGS: 8783 22:19:29 -153.250860 9.999224 BFGS: 8784 22:19:29 -152.662725 2.263444 BFGS: 8785 22:19:29 -153.113770 3.528996 BFGS: 8786 22:19:29 -152.787899 2.106918 BFGS: 8787 22:19:29 -153.263561 12.323776 BFGS: 8788 22:19:29 -152.645993 2.256557 BFGS: 8789 22:19:30 -153.102606 3.409537 BFGS: 8790 22:19:30 -152.803138 2.124217 BFGS: 8791 22:19:30 -153.272075 14.600726 BFGS: 8792 22:19:30 -152.634660 2.252350 BFGS: 8793 22:19:30 -153.094097 3.327797 BFGS: 8794 22:19:30 -152.814506 2.138652 BFGS: 8795 22:19:30 -153.278543 16.957017 BFGS: 8796 22:19:30 -152.625998 2.249522 BFGS: 8797 22:19:30 -153.086713 3.263391 BFGS: 8798 22:19:30 -152.824190 2.152020 BFGS: 8799 22:19:30 -153.284146 19.640379 BFGS: 8800 22:19:30 -152.618482 2.247508 BFGS: 8801 22:19:30 -153.079303 3.204842 BFGS: 8802 22:19:30 -152.833763 2.166121 BFGS: 8803 22:19:30 -153.289832 23.223160 BFGS: 8804 22:19:30 -152.610922 2.246027 BFGS: 8805 22:19:30 -153.070265 3.140699 BFGS: 8806 22:19:30 -152.845302 2.184126 BFGS: 8807 22:19:30 -153.296981 29.582225 BFGS: 8808 22:19:30 -152.601700 2.244990 BFGS: 8809 22:19:30 -153.055257 3.047151 BFGS: 8810 22:19:30 -152.864226 2.216122 BFGS: 8811 22:19:30 -153.310298 52.519969 BFGS: 8812 22:19:30 -152.586029 2.246532 BFGS: 8813 22:19:30 -153.005480 2.814070 BFGS: 8814 22:19:30 -152.924406 2.347786 BFGS: 8815 22:19:30 -153.293390 33.850831 BFGS: 8816 22:19:30 -153.257501 10.715620 BFGS: 8817 22:19:30 -153.349256 174.396599 BFGS: 8818 22:19:30 -153.294361 23.982917 BFGS: 8819 22:19:30 -153.297043 41.025052 BFGS: 8820 22:19:30 -153.282930 24.528143 BFGS: 8821 22:19:30 -153.288085 32.055020 BFGS: 8822 22:19:30 -153.139248 6.376733 BFGS: 8823 22:19:30 -153.217817 16.334827 BFGS: 8824 22:19:30 -153.039444 2.772709 BFGS: 8825 22:19:30 -153.214212 7.833745 BFGS: 8826 22:19:30 -152.689500 2.194996 BFGS: 8827 22:19:30 -153.156070 7.376333 BFGS: 8828 22:19:30 -152.832825 1.911502 BFGS: 8829 22:19:30 -153.166668 5.132286 BFGS: 8830 22:19:30 -152.766006 2.335364 BFGS: 8831 22:19:30 -153.199055 11.604325 BFGS: 8832 22:19:30 -152.780763 1.840505 BFGS: 8833 22:19:30 -153.141828 4.445703 BFGS: 8834 22:19:30 -152.802906 2.429939 BFGS: 8835 22:19:30 -153.219421 15.700074 BFGS: 8836 22:19:30 -152.755130 1.819469 BFGS: 8837 22:19:30 -153.129964 4.266811 BFGS: 8838 22:19:30 -152.819408 2.481184 BFGS: 8839 22:19:30 -153.230299 18.231592 BFGS: 8840 22:19:30 -152.743150 1.816341 BFGS: 8841 22:19:30 -153.119128 4.144232 BFGS: 8842 22:19:30 -152.834084 2.530056 BFGS: 8843 22:19:30 -153.241486 20.921757 BFGS: 8844 22:19:30 -152.732293 1.815132 BFGS: 8845 22:19:30 -153.102911 3.928120 BFGS: 8846 22:19:30 -152.856107 2.606134 BFGS: 8847 22:19:30 -153.259330 26.938883 BFGS: 8848 22:19:30 -152.716060 1.808426 BFGS: 8849 22:19:30 -153.067627 3.436378 BFGS: 8850 22:19:30 -152.903309 2.793675 BFGS: 8851 22:19:31 -153.334794 92.877497 BFGS: 8852 22:19:31 -152.869021 2.089999 BFGS: 8853 22:19:31 -152.955360 2.440105 BFGS: 8854 22:19:31 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22:19:34 -152.771836 3.039865 BFGS: 9096 22:19:34 -153.299494 40.649872 BFGS: 9097 22:19:34 -152.415184 2.874763 BFGS: 9098 22:19:34 -152.938798 4.329495 BFGS: 9099 22:19:34 -152.829117 3.234848 BFGS: 9100 22:19:35 -153.102628 275.642781 BFGS: 9101 22:19:35 -152.849671 3.611323 BFGS: 9102 22:19:35 -152.860047 3.700003 BFGS: 9103 22:19:35 -153.074234 12.042587 BFGS: 9104 22:19:35 -153.141388 14.721411 BFGS: 9105 22:19:35 -153.215644 633.318150 BFGS: 9106 22:19:35 -153.156347 11.697282 BFGS: 9107 22:19:35 -153.165105 9.867684 BFGS: 9108 22:19:35 -153.185936 4.740352 BFGS: 9109 22:19:35 -153.190788 3.721200 BFGS: 9110 22:19:35 -153.195532 3.775432 BFGS: 9111 22:19:35 -153.202191 5.065559 BFGS: 9112 22:19:35 -153.213361 8.579878 BFGS: 9113 22:19:35 -153.227988 14.283929 BFGS: 9114 22:19:35 -153.260065 64.732841 BFGS: 9115 22:19:35 -153.127028 15.307124 BFGS: 9116 22:19:35 -153.138706 66.473186 BFGS: 9117 22:19:35 -153.189095 21.918358 BFGS: 9118 22:19:35 -153.266182 22.010637 BFGS: 9119 22:19:35 -152.099486 4.022347 BFGS: 9120 22:19:35 -152.594105 6.387116 BFGS: 9121 22:19:35 -152.705754 6.347090 BFGS: 9122 22:19:35 -152.820326 57.024334 BFGS: 9123 22:19:35 -152.112836 4.077450 BFGS: 9124 22:19:35 -152.432289 5.236435 BFGS: 9125 22:19:35 -152.870783 8.678597 BFGS: 9126 22:19:35 -152.867310 19.727972 BFGS: 9127 22:19:35 -152.836870 46.418351 BFGS: 9128 22:19:35 -152.894345 21.335552 BFGS: 9129 22:19:35 -152.901261 21.729898 BFGS: 9130 22:19:35 -153.304172 8.377757 BFGS: 9131 22:19:35 -153.224910 11.813765 BFGS: 9132 22:19:35 -152.662491 17.786119 BFGS: 9133 22:19:35 -152.854228 22.006830 BFGS: 9134 22:19:35 -152.717620 48.724120 BFGS: 9135 22:19:35 -152.788707 47.194650 BFGS: 9136 22:19:35 -152.944959 36.728456 BFGS: 9137 22:19:35 -153.154211 15.291150 BFGS: 9138 22:19:35 -153.213172 8.435651 BFGS: 9139 22:19:35 -153.219280 4.470498 BFGS: 9140 22:19:35 -153.223128 5.574934 BFGS: 9141 22:19:35 -153.229221 7.364781 BFGS: 9142 22:19:35 -153.241591 21.026627 BFGS: 9143 22:19:35 -153.260202 14.725540 BFGS: 9144 22:19:35 -153.299422 109.132266 BFGS: 9145 22:19:35 -153.262666 10.766021 BFGS: 9146 22:19:35 -153.263255 11.422586 BFGS: 9147 22:19:35 -153.268443 17.875972 BFGS: 9148 22:19:35 -153.274803 27.092351 BFGS: 9149 22:19:35 -153.163794 1085.133666 BFGS: 9150 22:19:35 -152.893572 113.662161 BFGS: 9151 22:19:35 -153.027120 20.250719 BFGS: 9152 22:19:35 -153.031415 21.275569 BFGS: 9153 22:19:35 -152.576226 945.767955 BFGS: 9154 22:19:35 -153.033693 21.654613 BFGS: 9155 22:19:35 -153.035982 22.028230 BFGS: 9156 22:19:35 -152.197693 3.737655 BFGS: 9157 22:19:36 -152.890265 11.433022 BFGS: 9158 22:19:36 -152.405547 4.747813 BFGS: 9159 22:19:36 -153.009534 18.332643 BFGS: 9160 22:19:36 -152.235960 3.838680 BFGS: 9161 22:19:36 -152.913050 12.658567 BFGS: 9162 22:19:36 -152.373499 4.627235 BFGS: 9163 22:19:36 -152.994837 16.824569 BFGS: 9164 22:19:36 -152.256053 3.898217 BFGS: 9165 22:19:36 -152.924067 13.396265 BFGS: 9166 22:19:36 -152.356578 4.569964 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BFGS: 9215 22:19:37 -152.985496 16.493373 BFGS: 9216 22:19:37 -152.252974 3.943568 BFGS: 9217 22:19:37 -152.913312 13.507241 BFGS: 9218 22:19:37 -152.347978 4.590360 BFGS: 9219 22:19:37 -152.986272 16.591745 BFGS: 9220 22:19:37 -152.250793 3.941254 BFGS: 9221 22:19:37 -152.911210 13.433798 BFGS: 9222 22:19:37 -152.349120 4.597970 BFGS: 9223 22:19:37 -152.987117 16.695105 BFGS: 9224 22:19:37 -152.248547 3.938742 BFGS: 9225 22:19:37 -152.909035 13.356983 BFGS: 9226 22:19:37 -152.350364 4.605922 BFGS: 9227 22:19:37 -152.988036 16.803842 BFGS: 9228 22:19:37 -152.246232 3.936023 BFGS: 9229 22:19:37 -152.906782 13.276640 BFGS: 9230 22:19:37 -152.351719 4.614244 BFGS: 9231 22:19:37 -152.989033 16.918406 BFGS: 9232 22:19:37 -152.243845 3.933086 BFGS: 9233 22:19:37 -152.904445 13.192597 BFGS: 9234 22:19:37 -152.353190 4.622969 BFGS: 9235 22:19:37 -152.990113 17.039307 BFGS: 9236 22:19:37 -152.241380 3.929968 BFGS: 9237 22:19:37 -152.902018 13.104657 BFGS: 9238 22:19:37 -152.354787 4.632131 BFGS: 9239 22:19:37 -152.991282 17.167127 BFGS: 9240 22:19:37 -152.238831 3.926634 BFGS: 9241 22:19:37 -152.899494 13.012598 BFGS: 9242 22:19:37 -152.356519 4.641774 BFGS: 9243 22:19:37 -152.992546 17.302542 BFGS: 9244 22:19:37 -152.236193 3.923026 BFGS: 9245 22:19:37 -152.896864 12.916173 BFGS: 9246 22:19:37 -152.358396 4.651944 BFGS: 9247 22:19:37 -152.993911 17.446326 BFGS: 9248 22:19:37 -152.233458 3.919127 BFGS: 9249 22:19:37 -152.894119 12.815102 BFGS: 9250 22:19:37 -152.360432 4.662697 BFGS: 9251 22:19:37 -152.995387 17.599387 BFGS: 9252 22:19:37 -152.230618 3.914916 BFGS: 9253 22:19:37 -152.891248 12.709060 BFGS: 9254 22:19:37 -152.362640 4.674096 BFGS: 9255 22:19:37 -152.996981 17.762792 BFGS: 9256 22:19:37 -152.227664 3.910369 BFGS: 9257 22:19:37 -152.888239 12.597677 BFGS: 9258 22:19:37 -152.365036 4.686217 BFGS: 9259 22:19:37 -152.998706 17.937808 BFGS: 9260 22:19:37 -152.224584 3.905459 BFGS: 9261 22:19:37 -152.885076 12.480522 BFGS: 9262 22:19:37 -152.367641 4.699147 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BFGS: 9287 22:19:38 -153.015900 19.672488 BFGS: 9288 22:19:38 -152.197996 3.858143 BFGS: 9289 22:19:38 -152.856536 11.440293 BFGS: 9290 22:19:38 -152.394384 4.825166 BFGS: 9291 22:19:38 -153.019448 20.041466 BFGS: 9292 22:19:38 -152.193107 3.848708 BFGS: 9293 22:19:38 -152.851007 11.245963 BFGS: 9294 22:19:38 -152.400097 4.851589 BFGS: 9295 22:19:38 -153.023434 20.464341 BFGS: 9296 22:19:38 -152.187774 3.838216 BFGS: 9297 22:19:38 -152.844860 11.033743 BFGS: 9298 22:19:38 -152.406601 4.881752 BFGS: 9299 22:19:38 -153.027965 20.957570 BFGS: 9300 22:19:38 -152.181890 3.826424 BFGS: 9301 22:19:38 -152.837919 10.799475 BFGS: 9302 22:19:38 -152.414108 4.916800 BFGS: 9303 22:19:38 -153.033193 21.545952 BFGS: 9304 22:19:38 -152.175297 3.812990 BFGS: 9305 22:19:38 -152.829926 10.537217 BFGS: 9306 22:19:38 -152.422934 4.958469 BFGS: 9307 22:19:38 -153.039350 22.268921 BFGS: 9308 22:19:38 -152.167761 3.797406 BFGS: 9309 22:19:38 -152.820470 10.238078 BFGS: 9310 22:19:38 -152.433569 5.009552 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22:19:38 -152.913058 109.035776 BFGS: 9336 22:19:38 -152.424052 4.785575 BFGS: 9337 22:19:38 -152.578285 5.892955 BFGS: 9338 22:19:38 -152.697291 7.053797 BFGS: 9339 22:19:38 -152.887552 135.096359 BFGS: 9340 22:19:38 -152.500118 5.242056 BFGS: 9341 22:19:38 -152.595734 6.042348 BFGS: 9342 22:19:38 -152.681759 6.871416 BFGS: 9343 22:19:38 -152.776909 221.937091 BFGS: 9344 22:19:38 -152.579635 5.856754 BFGS: 9345 22:19:38 -152.613137 6.189246 BFGS: 9346 22:19:38 -152.666717 6.715909 BFGS: 9347 22:19:38 -152.517800 70.454596 BFGS: 9348 22:19:38 -152.686044 6.935718 BFGS: 9349 22:19:38 -152.704327 7.163226 BFGS: 9350 22:19:38 -152.571768 5.820242 BFGS: 9351 22:19:38 -152.929173 116.943060 BFGS: 9352 22:19:38 -152.683825 7.125306 BFGS: 9353 22:19:39 -152.764524 8.631678 BFGS: 9354 22:19:39 -152.501105 5.389399 BFGS: 9355 22:19:39 -153.083292 31.420064 BFGS: 9356 22:19:39 -152.111177 3.672489 BFGS: 9357 22:19:39 -152.748132 8.273880 BFGS: 9358 22:19:39 -152.519772 5.504091 BFGS: 9359 22:19:39 -153.098108 35.031876 BFGS: 9360 22:19:39 -152.095926 3.641194 BFGS: 9361 22:19:39 -152.716352 7.665458 BFGS: 9362 22:19:39 -152.555130 5.742748 BFGS: 9363 22:19:39 -153.130941 44.940976 BFGS: 9364 22:19:39 -152.066358 3.583539 BFGS: 9365 22:19:39 -152.631183 6.446857 BFGS: 9366 22:19:39 -152.644314 6.502376 BFGS: 9367 22:19:39 -153.265338 103.642020 BFGS: 9368 22:19:39 -152.670628 6.782868 BFGS: 9369 22:19:39 -152.695131 7.074335 BFGS: 9370 22:19:39 -152.579494 5.903075 BFGS: 9371 22:19:39 -152.902186 142.926811 BFGS: 9372 22:19:39 -152.659565 6.797931 BFGS: 9373 22:19:39 -152.723163 7.790911 BFGS: 9374 22:19:39 -152.546162 5.699756 BFGS: 9375 22:19:39 -153.116365 42.498108 BFGS: 9376 22:19:39 -152.073657 3.600128 BFGS: 9377 22:19:39 -152.665586 6.886298 BFGS: 9378 22:19:39 -152.607535 6.183183 BFGS: 9379 22:19:39 -153.203446 78.972852 BFGS: 9380 22:19:39 -152.365596 4.505157 BFGS: 9381 22:19:39 -152.596680 6.086683 BFGS: 9382 22:19:39 -152.675931 6.878949 BFGS: 9383 22:19:39 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-152.096113 4.568040 BFGS: 9840 22:19:45 -152.767623 16.055184 BFGS: 9841 22:19:45 -152.108170 4.377089 BFGS: 9842 22:19:45 -152.779249 16.479004 BFGS: 9843 22:19:45 -152.096188 4.568505 BFGS: 9844 22:19:45 -152.767678 16.064186 BFGS: 9845 22:19:45 -152.107923 4.376551 BFGS: 9846 22:19:45 -152.779029 16.469677 BFGS: 9847 22:19:46 -152.096263 4.568965 BFGS: 9848 22:19:46 -152.767732 16.073109 BFGS: 9849 22:19:46 -152.107677 4.376019 BFGS: 9850 22:19:46 -152.778810 16.460445 BFGS: 9851 22:19:46 -152.096335 4.569420 BFGS: 9852 22:19:46 -152.767784 16.081954 BFGS: 9853 22:19:46 -152.107433 4.375492 BFGS: 9854 22:19:46 -152.778593 16.451311 BFGS: 9855 22:19:46 -152.096406 4.569870 BFGS: 9856 22:19:46 -152.767834 16.090720 BFGS: 9857 22:19:46 -152.107190 4.374971 BFGS: 9858 22:19:46 -152.778376 16.442273 BFGS: 9859 22:19:46 -152.096475 4.570315 BFGS: 9860 22:19:46 -152.767883 16.099409 BFGS: 9861 22:19:46 -152.106949 4.374456 BFGS: 9862 22:19:46 -152.778161 16.433330 BFGS: 9863 22:19:46 -152.096543 4.570755 BFGS: 9864 22:19:46 -152.767931 16.108020 BFGS: 9865 22:19:46 -152.106710 4.373947 BFGS: 9866 22:19:46 -152.777947 16.424481 BFGS: 9867 22:19:46 -152.096609 4.571190 BFGS: 9868 22:19:46 -152.767977 16.116557 BFGS: 9869 22:19:46 -152.106471 4.373443 BFGS: 9870 22:19:46 -152.777734 16.415723 BFGS: 9871 22:19:46 -152.096674 4.571620 BFGS: 9872 22:19:46 -152.768022 16.125017 BFGS: 9873 22:19:46 -152.106235 4.372945 BFGS: 9874 22:19:46 -152.777523 16.407058 BFGS: 9875 22:19:46 -152.096736 4.572045 BFGS: 9876 22:19:46 -152.768066 16.133401 BFGS: 9877 22:19:46 -152.106000 4.372452 BFGS: 9878 22:19:46 -152.777313 16.398485 BFGS: 9879 22:19:46 -152.096798 4.572465 BFGS: 9880 22:19:46 -152.768108 16.141712 BFGS: 9881 22:19:46 -152.105766 4.371965 BFGS: 9882 22:19:46 -152.777103 16.389999 BFGS: 9883 22:19:46 -152.096858 4.572880 BFGS: 9884 22:19:46 -152.768149 16.149948 BFGS: 9885 22:19:46 -152.105534 4.371483 BFGS: 9886 22:19:46 -152.776895 16.381603 BFGS: 9887 22:19:46 -152.096916 4.573291 BFGS: 9888 22:19:46 -152.768188 16.158111 BFGS: 9889 22:19:46 -152.105303 4.371006 BFGS: 9890 22:19:46 -152.776688 16.373295 BFGS: 9891 22:19:46 -152.096973 4.573696 BFGS: 9892 22:19:46 -152.768226 16.166201 BFGS: 9893 22:19:46 -152.105074 4.370535 BFGS: 9894 22:19:46 -152.776482 16.365073 BFGS: 9895 22:19:46 -152.097028 4.574097 BFGS: 9896 22:19:46 -152.768263 16.174219 BFGS: 9897 22:19:46 -152.104846 4.370069 BFGS: 9898 22:19:46 -152.776277 16.356938 BFGS: 9899 22:19:46 -152.097082 4.574494 BFGS: 9900 22:19:46 -152.768298 16.182164 BFGS: 9901 22:19:46 -152.104619 4.369608 BFGS: 9902 22:19:46 -152.776074 16.348888 BFGS: 9903 22:19:46 -152.097134 4.574885 BFGS: 9904 22:19:46 -152.768332 16.190040 BFGS: 9905 22:19:46 -152.104394 4.369152 BFGS: 9906 22:19:46 -152.775871 16.340921 BFGS: 9907 22:19:46 -152.097185 4.575272 BFGS: 9908 22:19:46 -152.768365 16.197844 BFGS: 9909 22:19:46 -152.104170 4.368702 BFGS: 9910 22:19:46 -152.775670 16.333038 BFGS: 9911 22:19:46 -152.097234 4.575654 BFGS: 9912 22:19:46 -152.768397 16.205578 BFGS: 9913 22:19:46 -152.103947 4.368256 BFGS: 9914 22:19:46 -152.775469 16.325238 BFGS: 9915 22:19:46 -152.097282 4.576032 BFGS: 9916 22:19:46 -152.768427 16.213242 BFGS: 9917 22:19:46 -152.103726 4.367815 BFGS: 9918 22:19:47 -152.775270 16.317519 BFGS: 9919 22:19:47 -152.097328 4.576405 BFGS: 9920 22:19:47 -152.768456 16.220839 BFGS: 9921 22:19:47 -152.103506 4.367379 BFGS: 9922 22:19:47 -152.775071 16.309880 BFGS: 9923 22:19:47 -152.097373 4.576774 BFGS: 9924 22:19:47 -152.768483 16.228365 BFGS: 9925 22:19:47 -152.103287 4.366948 BFGS: 9926 22:19:47 -152.774874 16.302320 BFGS: 9927 22:19:47 -152.097417 4.577138 BFGS: 9928 22:19:47 -152.768510 16.235826 BFGS: 9929 22:19:47 -152.103070 4.366521 BFGS: 9930 22:19:47 -152.774677 16.294838 BFGS: 9931 22:19:47 -152.097459 4.577498 BFGS: 9932 22:19:47 -152.768535 16.243220 BFGS: 9933 22:19:47 -152.102853 4.366100 BFGS: 9934 22:19:47 -152.774482 16.287436 BFGS: 9935 22:19:47 -152.097500 4.577854 BFGS: 9936 22:19:47 -152.768559 16.250544 BFGS: 9937 22:19:47 -152.102639 4.365683 BFGS: 9938 22:19:47 -152.774288 16.280111 BFGS: 9939 22:19:47 -152.097539 4.578205 BFGS: 9940 22:19:47 -152.768582 16.257803 BFGS: 9941 22:19:47 -152.102425 4.365271 BFGS: 9942 22:19:47 -152.774094 16.272863 BFGS: 9943 22:19:47 -152.097578 4.578552 BFGS: 9944 22:19:47 -152.768603 16.264996 BFGS: 9945 22:19:47 -152.102212 4.364863 BFGS: 9946 22:19:47 -152.773902 16.265691 BFGS: 9947 22:19:47 -152.097614 4.578894 BFGS: 9948 22:19:47 -152.768624 16.272123 BFGS: 9949 22:19:47 -152.102001 4.364460 BFGS: 9950 22:19:47 -152.773711 16.258592 BFGS: 9951 22:19:47 -152.097650 4.579232 BFGS: 9952 22:19:47 -152.768643 16.279186 BFGS: 9953 22:19:47 -152.101791 4.364061 BFGS: 9954 22:19:47 -152.773520 16.251567 BFGS: 9955 22:19:47 -152.097684 4.579566 BFGS: 9956 22:19:47 -152.768661 16.286186 BFGS: 9957 22:19:47 -152.101582 4.363666 BFGS: 9958 22:19:47 -152.773331 16.244615 BFGS: 9959 22:19:47 -152.097716 4.579896 BFGS: 9960 22:19:47 -152.768678 16.293123 BFGS: 9961 22:19:47 -152.101375 4.363276 BFGS: 9962 22:19:47 -152.773142 16.237735 BFGS: 9963 22:19:47 -152.097748 4.580222 BFGS: 9964 22:19:47 -152.768693 16.299995 BFGS: 9965 22:19:47 -152.101168 4.362891 BFGS: 9966 22:19:47 -152.772954 16.230927 BFGS: 9967 22:19:47 -152.097778 4.580543 BFGS: 9968 22:19:47 -152.768708 16.306804 BFGS: 9969 22:19:47 -152.100963 4.362509 BFGS: 9970 22:19:47 -152.772768 16.224192 BFGS: 9971 22:19:47 -152.097806 4.580860 BFGS: 9972 22:19:47 -152.768721 16.313550 BFGS: 9973 22:19:47 -152.100758 4.362132 BFGS: 9974 22:19:47 -152.772582 16.217526 BFGS: 9975 22:19:47 -152.097834 4.581173 BFGS: 9976 22:19:47 -152.768733 16.320235 BFGS: 9977 22:19:47 -152.100555 4.361759 BFGS: 9978 22:19:47 -152.772397 16.210929 BFGS: 9979 22:19:47 -152.097860 4.581482 BFGS: 9980 22:19:47 -152.768745 16.326859 BFGS: 9981 22:19:47 -152.100353 4.361391 BFGS: 9982 22:19:47 -152.772213 16.204400 BFGS: 9983 22:19:47 -152.097885 4.581788 BFGS: 9984 22:19:47 -152.768755 16.333423 BFGS: 9985 22:19:47 -152.100152 4.361026 BFGS: 9986 22:19:47 -152.772030 16.197940 BFGS: 9987 22:19:47 -152.097909 4.582089 BFGS: 9988 22:19:48 -152.768764 16.339925 BFGS: 9989 22:19:48 -152.099953 4.360666 BFGS: 9990 22:19:48 -152.771848 16.191548 BFGS: 9991 22:19:48 -152.097931 4.582386 BFGS: 9992 22:19:48 -152.768772 16.346368 BFGS: 9993 22:19:48 -152.099754 4.360309 BFGS: 9994 22:19:48 -152.771666 16.185222 BFGS: 9995 22:19:48 -152.097952 4.582679 BFGS: 9996 22:19:48 -152.768778 16.352751 BFGS: 9997 22:19:48 -152.099556 4.359957 BFGS: 9998 22:19:48 -152.771486 16.178963 BFGS: 9999 22:19:48 -152.097972 4.582969 BFGS: 10000 22:19:48 -152.768784 16.359076 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 19.358249415419934 eV/Angstrom Maximum stress component: 0.12955191893406828 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', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti'] basis = [[0.12820477 0.88703348 0.25111926] [0.37179523 0.11296652 0.75111926] [0.87179523 0.38703348 0.24888074] [0.62820477 0.61296652 0.74888074] [0.87179523 0.11296652 0.74888074] [0.62820477 0.88703348 0.24888074] [0.12820477 0.61296652 0.75111926] [0.37179523 0.38703348 0.25111926] [0.37353676 0.11132127 0.74896078] [0.12646324 0.88867873 0.24896078] [0.62646324 0.61132127 0.75103922] [0.87353676 0.38867873 0.25103922] [0.62646324 0.88867873 0.25103922] [0.87353676 0.11132127 0.75103922] [0.37353676 0.38867873 0.24896078] [0.12646324 0.61132127 0.74896078] [0.37329119 0.89689614 0.24907355] [0.12670881 0.10310386 0.74907355] [0.62670881 0.39689614 0.25092645] [0.87329119 0.60310386 0.75092645] [0.62670881 0.10310386 0.75092645] [0.87329119 0.89689614 0.25092645] [0.37329119 0.60310386 0.74907355] [0.12670881 0.39689614 0.24907355]] cellpar = Cell([[3.6241530293693267, 1.8186215260439818e-35, 0.0], [1.1928850812285448e-34, 9.169123148374073, 0.0], [0.0, 0.0, 4.301041326812516]]) forces = [[ 18.97787844 5.36759593 -7.24086646] [-18.97787844 -5.36759593 -7.24086646] [-18.97787844 5.36759593 7.24086646] [ 18.97787844 -5.36759593 7.24086646] [-18.97787844 -5.36759593 7.24086646] [ 18.97787844 5.36759593 7.24086646] [ 18.97787844 -5.36759593 -7.24086646] [-18.97787844 5.36759593 -7.24086646] [ 19.35824942 5.19065239 7.06652065] [-19.35824942 -5.19065239 7.06652065] [-19.35824942 5.19065239 -7.06652065] [ 19.35824942 -5.19065239 -7.06652065] [-19.35824942 -5.19065239 -7.06652065] [ 19.35824942 5.19065239 -7.06652065] [ 19.35824942 -5.19065239 7.06652065] [-19.35824942 5.19065239 7.06652065] [ 0.19857822 0.0919021 0.63351595] [ -0.19857822 -0.0919021 0.63351595] [ -0.19857822 0.0919021 -0.63351595] [ 0.19857822 -0.0919021 -0.63351595] [ -0.19857822 -0.0919021 -0.63351595] [ 0.19857822 0.0919021 -0.63351595] [ 0.19857822 -0.0919021 0.63351595] [ -0.19857822 0.0919021 0.63351595]] stress = [-2.67636568e-02 9.56599703e-02 1.29551919e-01 0.00000000e+00 0.00000000e+00 -1.89905295e-31] energy per atom = -6.365366001127312 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0 Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 1