element(s): ['O', 'Ti'] AFLOW prototype label: A2B_mP12_11_4e_2e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['11.508', '0.34392596', '0.53848627', '92.1894', '0.85707112', '0.83755525', '0.78207661', '0.34399313', '0.064152503', '0.46367014', '0.60563977', '0.95200051', '0.74243766', '0.044480606', '0.90065783', '0.55167874'] model name: Sim_LAMMPS_MEAM_ZhangTrinkle_2016_TiO__SM_513612626462_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'Ti', 'Ti'] representative atom coordinates = [[0.16244475 0.25 0.85707112] [0.65600687 0.25 0.78207661] [0.53632986 0.25 0.0641525 ] [0.04799949 0.25 0.60563977] [0.95551939 0.25 0.74243766] [0.44832126 0.25 0.90065783]] spacegroup = 11 cell = [[6.1969, 0, 0], [0, 3.9579, 0], [0.43963943231158, 0, 11.4995991743]] ========================================= Step Time Energy fmax BFGS: 0 16:35:59 -20.923582 14.943499 BFGS: 1 16:35:59 -23.250178 16.583287 BFGS: 2 16:35:59 -25.587331 16.457755 BFGS: 3 16:35:59 -27.737956 16.304103 BFGS: 4 16:35:59 -29.764171 15.734157 BFGS: 5 16:36:00 -31.798948 14.567872 BFGS: 6 16:36:00 -33.719883 8.700333 BFGS: 7 16:36:00 -36.472636 7.608859 BFGS: 8 16:36:00 -39.229598 8.365720 BFGS: 9 16:36:00 -41.698204 8.636331 BFGS: 10 16:36:00 -43.941803 8.403004 BFGS: 11 16:36:00 -45.972159 7.741886 BFGS: 12 16:36:00 -47.717375 4.637568 BFGS: 13 16:36:00 -49.161274 2.549212 BFGS: 14 16:36:00 -49.708459 1.722282 BFGS: 15 16:36:01 -49.984785 1.934631 BFGS: 16 16:36:01 -50.250148 1.880401 BFGS: 17 16:36:01 -50.504090 1.753214 BFGS: 18 16:36:01 -50.769312 1.755449 BFGS: 19 16:36:01 -51.125870 1.851032 BFGS: 20 16:36:01 -51.435966 1.807381 BFGS: 21 16:36:01 -51.713373 1.685234 BFGS: 22 16:36:01 -51.952457 1.552351 BFGS: 23 16:36:01 -52.165985 1.402535 BFGS: 24 16:36:01 -52.359298 1.240447 BFGS: 25 16:36:01 -52.531052 1.070626 BFGS: 26 16:36:01 -52.683825 1.034639 BFGS: 27 16:36:02 -52.824959 1.017994 BFGS: 28 16:36:02 -52.970243 1.055108 BFGS: 29 16:36:02 -53.104475 1.089812 BFGS: 30 16:36:02 -53.275608 1.124549 BFGS: 31 16:36:02 -53.446095 1.154443 BFGS: 32 16:36:02 -53.616653 1.538886 BFGS: 33 16:36:02 -53.780583 2.060426 BFGS: 34 16:36:02 -54.036157 1.962008 BFGS: 35 16:36:02 -54.271406 2.022181 BFGS: 36 16:36:02 -54.496954 2.042329 BFGS: 37 16:36:02 -54.723412 2.114062 BFGS: 38 16:36:02 -54.945512 2.155428 BFGS: 39 16:36:03 -55.155846 2.159519 BFGS: 40 16:36:03 -55.379107 2.312060 BFGS: 41 16:36:03 -55.660150 2.433089 BFGS: 42 16:36:03 -55.981562 2.463944 BFGS: 43 16:36:03 -56.306594 2.411024 BFGS: 44 16:36:03 -56.632613 2.267929 BFGS: 45 16:36:03 -56.964025 2.445621 BFGS: 46 16:36:03 -57.310276 2.623621 BFGS: 47 16:36:03 -57.695595 2.560097 BFGS: 48 16:36:03 -58.066134 2.437323 BFGS: 49 16:36:03 -58.422940 2.261431 BFGS: 50 16:36:03 -58.776116 2.558442 BFGS: 51 16:36:03 -59.117510 3.382489 BFGS: 52 16:36:03 -59.541705 3.727518 BFGS: 53 16:36:03 -59.965728 3.641305 BFGS: 54 16:36:04 -60.369098 3.298432 BFGS: 55 16:36:04 -60.728726 2.947225 BFGS: 56 16:36:04 -61.080468 2.667256 BFGS: 57 16:36:04 -61.406600 2.557774 BFGS: 58 16:36:04 -61.725102 2.482472 BFGS: 59 16:36:04 -62.035192 2.382775 BFGS: 60 16:36:04 -62.335657 2.262630 BFGS: 61 16:36:04 -62.627049 2.127743 BFGS: 62 16:36:04 -62.913436 2.020314 BFGS: 63 16:36:04 -63.186597 2.047531 BFGS: 64 16:36:04 -63.492491 2.008970 BFGS: 65 16:36:04 -63.791658 1.924081 BFGS: 66 16:36:04 -64.084644 1.805423 BFGS: 67 16:36:05 -64.372215 1.686668 BFGS: 68 16:36:05 -64.650709 1.507170 BFGS: 69 16:36:05 -64.897615 1.499599 BFGS: 70 16:36:05 -65.115862 1.500577 BFGS: 71 16:36:05 -65.320201 1.550764 BFGS: 72 16:36:05 -65.516550 1.615685 BFGS: 73 16:36:05 -65.714469 1.706018 BFGS: 74 16:36:05 -65.919267 1.736536 BFGS: 75 16:36:05 -66.121563 1.716915 BFGS: 76 16:36:05 -66.321894 1.659095 BFGS: 77 16:36:05 -66.517701 1.571275 BFGS: 78 16:36:05 -66.705561 1.459362 BFGS: 79 16:36:06 -66.879711 1.350256 BFGS: 80 16:36:06 -67.056892 1.196655 BFGS: 81 16:36:06 -67.222982 1.099565 BFGS: 82 16:36:06 -67.382160 1.075858 BFGS: 83 16:36:06 -67.525128 0.988926 BFGS: 84 16:36:06 -67.646455 1.012785 BFGS: 85 16:36:06 -67.747249 0.954889 BFGS: 86 16:36:06 -67.828725 0.896796 BFGS: 87 16:36:06 -67.900474 0.912731 BFGS: 88 16:36:06 -67.967324 0.826896 BFGS: 89 16:36:06 -68.037530 0.741594 BFGS: 90 16:36:06 -68.126241 0.769955 BFGS: 91 16:36:06 -68.214987 0.909138 BFGS: 92 16:36:07 -68.292508 0.921886 BFGS: 93 16:36:07 -68.353787 0.852167 BFGS: 94 16:36:07 -68.433312 0.790587 BFGS: 95 16:36:07 -68.491429 0.764659 BFGS: 96 16:36:07 -68.574741 0.648049 BFGS: 97 16:36:07 -68.641434 0.648084 BFGS: 98 16:36:07 -68.694311 0.670531 BFGS: 99 16:36:07 -68.737795 0.692131 BFGS: 100 16:36:07 -68.777552 0.742022 BFGS: 101 16:36:07 -68.822086 0.818941 BFGS: 102 16:36:07 -68.879626 0.907733 BFGS: 103 16:36:07 -68.954762 0.995537 BFGS: 104 16:36:08 -69.035027 1.038521 BFGS: 105 16:36:08 -69.109353 1.037342 BFGS: 106 16:36:08 -69.184079 1.002125 BFGS: 107 16:36:08 -69.261046 0.943662 BFGS: 108 16:36:08 -69.345790 1.043143 BFGS: 109 16:36:08 -69.434441 1.359543 BFGS: 110 16:36:08 -69.574289 1.731304 BFGS: 111 16:36:08 -69.670647 1.675229 BFGS: 112 16:36:08 -69.916855 1.406660 BFGS: 113 16:36:08 -70.111901 1.351797 BFGS: 114 16:36:08 -70.288281 1.474322 BFGS: 115 16:36:08 -70.462229 1.568343 BFGS: 116 16:36:09 -70.642527 1.720444 BFGS: 117 16:36:09 -70.844044 1.845512 BFGS: 118 16:36:09 -71.076200 1.967898 BFGS: 119 16:36:09 -71.355370 2.142415 BFGS: 120 16:36:09 -71.675391 2.426244 BFGS: 121 16:36:09 -72.023283 2.455806 BFGS: 122 16:36:09 -72.319567 2.544919 BFGS: 123 16:36:09 -72.636481 2.636348 BFGS: 124 16:36:09 -72.929796 2.843499 BFGS: 125 16:36:09 -73.210614 3.104970 BFGS: 126 16:36:09 -73.492508 3.222792 BFGS: 127 16:36:09 -73.785236 2.980803 BFGS: 128 16:36:10 -74.064463 2.497667 BFGS: 129 16:36:10 -74.308267 2.321607 BFGS: 130 16:36:10 -74.542608 2.328471 BFGS: 131 16:36:10 -74.741239 2.404237 BFGS: 132 16:36:10 -74.922580 2.351533 BFGS: 133 16:36:10 -75.102902 2.299259 BFGS: 134 16:36:10 -75.163101 9.976268 BFGS: 135 16:36:10 -75.258292 2.370039 BFGS: 136 16:36:10 -75.555672 1.895053 BFGS: 137 16:36:10 -75.927927 4.436334 BFGS: 138 16:36:10 -76.023526 70.063417 BFGS: 139 16:36:10 -76.382900 53.697007 BFGS: 140 16:36:10 -76.602684 39.076452 BFGS: 141 16:36:11 -76.752481 4.708886 BFGS: 142 16:36:11 -76.930614 4.813764 BFGS: 143 16:36:11 -77.143993 1.685644 BFGS: 144 16:36:11 -77.326728 1.698739 BFGS: 145 16:36:11 -77.499185 1.794640 BFGS: 146 16:36:11 -77.662069 2.373283 BFGS: 147 16:36:11 -77.828085 2.856075 BFGS: 148 16:36:11 -77.998155 2.678860 BFGS: 149 16:36:11 -78.153138 2.176124 BFGS: 150 16:36:11 -78.285527 2.286327 BFGS: 151 16:36:11 -78.408255 2.930760 BFGS: 152 16:36:11 -78.531518 4.150319 BFGS: 153 16:36:12 -78.658997 5.403215 BFGS: 154 16:36:12 -78.792398 6.749191 BFGS: 155 16:36:12 -78.933621 8.154656 BFGS: 156 16:36:12 -79.081372 9.666103 BFGS: 157 16:36:12 -79.243449 11.088331 BFGS: 158 16:36:12 -79.417944 12.705981 BFGS: 159 16:36:12 -79.590685 13.779610 BFGS: 160 16:36:12 -79.735286 15.275741 BFGS: 161 16:36:12 -79.901875 13.609900 BFGS: 162 16:36:12 -80.060569 5.812348 BFGS: 163 16:36:12 -80.215934 17.175064 BFGS: 164 16:36:12 -80.361291 25.338810 BFGS: 165 16:36:12 -80.552283 11.104208 BFGS: 166 16:36:13 -80.749077 7.720393 BFGS: 167 16:36:13 -80.952605 4.629451 BFGS: 168 16:36:13 -81.125713 3.712874 BFGS: 169 16:36:13 -81.270277 3.361957 BFGS: 170 16:36:13 -81.384623 3.196123 BFGS: 171 16:36:13 -81.477211 2.588482 BFGS: 172 16:36:13 -81.564220 2.311341 BFGS: 173 16:36:13 -81.642359 3.637283 BFGS: 174 16:36:13 -81.726706 4.193013 BFGS: 175 16:36:13 -81.809124 3.182975 BFGS: 176 16:36:13 -81.884916 6.087291 BFGS: 177 16:36:14 -81.949255 21.118902 BFGS: 178 16:36:14 -82.026957 10.483080 BFGS: 179 16:36:14 -82.143972 52.842164 BFGS: 180 16:36:14 -82.227087 111.965440 BFGS: 181 16:36:14 -82.315723 61.369546 BFGS: 182 16:36:14 -82.388979 723.079553 BFGS: 183 16:36:14 -82.430739 710.137439 BFGS: 184 16:36:14 -82.444105 7.701637 BFGS: 185 16:36:14 -82.507080 8.167472 BFGS: 186 16:36:14 -82.563867 9.530931 BFGS: 187 16:36:14 -82.646155 7.742018 BFGS: 188 16:36:14 -82.696919 4.459980 BFGS: 189 16:36:15 -82.725695 2.167844 BFGS: 190 16:36:15 -82.750793 1.917597 BFGS: 191 16:36:15 -82.768703 3.780474 BFGS: 192 16:36:15 -82.788364 6.653147 BFGS: 193 16:36:15 -82.801310 11.835008 BFGS: 194 16:36:15 -82.810257 19.050155 BFGS: 195 16:36:15 -82.816550 26.853824 BFGS: 196 16:36:15 -82.825810 41.287100 BFGS: 197 16:36:15 -82.837463 56.944286 BFGS: 198 16:36:15 -82.843282 127.173890 BFGS: 199 16:36:15 -82.845995 39.129307 BFGS: 200 16:36:15 -82.848541 28.655462 BFGS: 201 16:36:15 -82.853040 83.559403 BFGS: 202 16:36:16 -82.856868 100.595864 BFGS: 203 16:36:16 -82.764343 12803.449440 BFGS: 204 16:36:16 -82.757518 430.642946 BFGS: 205 16:36:16 -82.854072 310.942597 BFGS: 206 16:36:16 -82.864912 311.660262 BFGS: 207 16:36:16 -82.871026 135.045971 BFGS: 208 16:36:16 -82.873839 100.965163 BFGS: 209 16:36:16 -82.879047 160.644744 BFGS: 210 16:36:16 -82.881626 61.409704 BFGS: 211 16:36:16 -82.884994 8.896698 BFGS: 212 16:36:17 -82.886338 10.935754 BFGS: 213 16:36:17 -82.891220 48.468054 BFGS: 214 16:36:17 -82.894562 43.631797 BFGS: 215 16:36:17 -82.898682 12.779316 BFGS: 216 16:36:17 -82.901665 10.361429 BFGS: 217 16:36:17 -82.903627 15.472738 BFGS: 218 16:36:17 -82.904756 10.232406 BFGS: 219 16:36:17 -82.905959 7.810770 BFGS: 220 16:36:17 -82.907416 5.422728 BFGS: 221 16:36:17 -82.909046 3.288204 BFGS: 222 16:36:18 -82.909788 3.507412 BFGS: 223 16:36:18 -82.910200 5.012201 BFGS: 224 16:36:18 -82.910383 5.295424 BFGS: 225 16:36:18 -82.910885 20.008048 BFGS: 226 16:36:18 -82.911366 20.577869 BFGS: 227 16:36:18 -82.912298 18.355239 BFGS: 228 16:36:18 -82.912820 9.463399 BFGS: 229 16:36:18 -82.913003 8.030465 BFGS: 230 16:36:18 -82.913041 7.005847 BFGS: 231 16:36:18 -82.913060 8.803636 BFGS: 232 16:36:18 -82.913071 8.888145 BFGS: 233 16:36:19 -82.913079 12.045935 BFGS: 234 16:36:19 -82.913084 10.476434 BFGS: 235 16:36:19 -82.913092 31.358650 BFGS: 236 16:36:19 -82.913106 18.362160 BFGS: 237 16:36:19 -82.913129 39.723368 BFGS: 238 16:36:19 -82.913176 17.707016 BFGS: 239 16:36:19 -82.913353 72.092636 BFGS: 240 16:36:19 -82.913578 180.452781 BFGS: 241 16:36:20 -82.911683 78.366717 BFGS: 242 16:36:20 -82.913356 181.137880 BFGS: 243 16:36:20 -82.909276 5.881290 BFGS: 244 16:36:20 -82.912680 67.868545 BFGS: 245 16:36:20 -82.905474 27.823456 BFGS: 246 16:36:20 -82.911850 43.679137 BFGS: 247 16:36:20 -82.902776 2.260746 BFGS: 248 16:36:20 -82.910961 21.767570 BFGS: 249 16:36:20 -82.904431 20.539623 BFGS: 250 16:36:21 -82.911930 43.268399 BFGS: 251 16:36:21 -82.899625 1.816153 BFGS: 252 16:36:21 -82.909393 13.019957 BFGS: 253 16:36:21 -82.903195 16.975180 BFGS: 254 16:36:21 -82.912075 43.746102 BFGS: 255 16:36:21 -82.896766 1.622190 BFGS: 256 16:36:21 -82.907930 9.414758 BFGS: 257 16:36:21 -82.902070 14.788152 BFGS: 258 16:36:22 -82.912257 44.591617 BFGS: 259 16:36:22 -82.894133 1.520920 BFGS: 260 16:36:22 -82.906552 7.487835 BFGS: 261 16:36:22 -82.901041 13.273536 BFGS: 262 16:36:22 -82.912457 45.282806 BFGS: 263 16:36:22 -82.891689 1.462307 BFGS: 264 16:36:22 -82.905246 6.303601 BFGS: 265 16:36:22 -82.900094 12.149672 BFGS: 266 16:36:23 -82.912669 45.231000 BFGS: 267 16:36:23 -82.889404 1.426695 BFGS: 268 16:36:23 -82.903998 5.505330 BFGS: 269 16:36:23 -82.899228 11.283703 BFGS: 270 16:36:23 -82.912895 43.454880 BFGS: 271 16:36:23 -82.887251 1.404812 BFGS: 272 16:36:23 -82.902797 4.930547 BFGS: 273 16:36:23 -82.898448 10.604376 BFGS: 274 16:36:23 -82.913141 37.345834 BFGS: 275 16:36:24 -82.885173 1.391704 BFGS: 276 16:36:24 -82.901642 4.506833 BFGS: 277 16:36:24 -82.897709 10.052846 BFGS: 278 16:36:24 -82.913384 20.321068 BFGS: 279 16:36:24 -82.882980 1.385279 BFGS: 280 16:36:24 -82.900633 4.254847 BFGS: 281 16:36:24 -82.896667 9.486536 BFGS: 282 16:36:24 -82.913434 12.676325 BFGS: 283 16:36:25 -82.881025 1.385986 BFGS: 284 16:36:25 -82.899811 4.098715 BFGS: 285 16:36:25 -82.895431 8.922843 BFGS: 286 16:36:25 -82.913311 23.038486 BFGS: 287 16:36:25 -82.879476 1.389485 BFGS: 288 16:36:25 -82.898950 3.890515 BFGS: 289 16:36:25 -82.894540 8.501102 BFGS: 290 16:36:25 -82.913339 16.173159 BFGS: 291 16:36:26 -82.877665 1.394411 BFGS: 292 16:36:26 -82.898210 3.772369 BFGS: 293 16:36:26 -82.893392 8.074480 BFGS: 294 16:36:26 -82.913203 22.709576 BFGS: 295 16:36:26 -82.876181 1.398769 BFGS: 296 16:36:26 -82.897471 3.635071 BFGS: 297 16:36:26 -82.892430 7.721131 BFGS: 298 16:36:26 -82.913139 21.811854 BFGS: 299 16:36:26 -82.874611 1.403605 BFGS: 300 16:36:27 -82.896796 3.536087 BFGS: 301 16:36:27 -82.891381 7.387818 BFGS: 302 16:36:27 -82.913005 23.376566 BFGS: 303 16:36:27 -82.873164 1.408132 BFGS: 304 16:36:27 -82.896182 3.453381 BFGS: 305 16:36:27 -82.890320 7.080288 BFGS: 306 16:36:27 -82.912837 24.325944 BFGS: 307 16:36:27 -82.871779 1.412530 BFGS: 308 16:36:28 -82.895635 3.389738 BFGS: 309 16:36:28 -82.889214 6.791599 BFGS: 310 16:36:28 -82.912617 24.757823 BFGS: 311 16:36:28 -82.870467 1.416782 BFGS: 312 16:36:28 -82.895167 3.345407 BFGS: 313 16:36:28 -82.888040 6.516853 BFGS: 314 16:36:28 -82.912331 24.530734 BFGS: 315 16:36:28 -82.869235 1.420905 BFGS: 316 16:36:28 -82.894788 3.320319 BFGS: 317 16:36:29 -82.886778 6.253012 BFGS: 318 16:36:29 -82.911967 23.621335 BFGS: 319 16:36:29 -82.868087 1.424932 BFGS: 320 16:36:29 -82.894498 3.313210 BFGS: 321 16:36:29 -82.885414 5.999002 BFGS: 322 16:36:29 -82.911519 22.176591 BFGS: 323 16:36:29 -82.867019 1.428908 BFGS: 324 16:36:29 -82.894290 3.321273 BFGS: 325 16:36:30 -82.883949 5.755365 BFGS: 326 16:36:30 -82.910993 20.446252 BFGS: 327 16:36:30 -82.866022 1.432881 BFGS: 328 16:36:30 -82.894150 3.340665 BFGS: 329 16:36:30 -82.882394 5.523372 BFGS: 330 16:36:30 -82.910400 18.665612 BFGS: 331 16:36:30 -82.865079 1.436885 BFGS: 332 16:36:30 -82.894060 3.367447 BFGS: 333 16:36:30 -82.880763 5.304157 BFGS: 334 16:36:31 -82.909755 16.987001 BFGS: 335 16:36:31 -82.864173 1.440934 BFGS: 336 16:36:31 -82.894005 3.398278 BFGS: 337 16:36:31 -82.879067 5.097950 BFGS: 338 16:36:31 -82.909070 15.476394 BFGS: 339 16:36:31 -82.863291 1.445019 BFGS: 340 16:36:31 -82.893974 3.430978 BFGS: 341 16:36:31 -82.877316 4.904618 BFGS: 342 16:36:32 -82.908352 14.147561 BFGS: 343 16:36:32 -82.862422 1.449122 BFGS: 344 16:36:32 -82.893960 3.464160 BFGS: 345 16:36:32 -82.875523 4.724094 BFGS: 346 16:36:32 -82.907613 12.992544 BFGS: 347 16:36:32 -82.861558 1.453221 BFGS: 348 16:36:32 -82.893956 3.496551 BFGS: 349 16:36:32 -82.873698 4.555764 BFGS: 350 16:36:32 -82.906857 11.991702 BFGS: 351 16:36:33 -82.860693 1.457296 BFGS: 352 16:36:33 -82.893957 3.527318 BFGS: 353 16:36:33 -82.871845 4.398859 BFGS: 354 16:36:33 -82.906091 11.122969 BFGS: 355 16:36:33 -82.859821 1.461330 BFGS: 356 16:36:33 -82.893959 3.555947 BFGS: 357 16:36:33 -82.869968 4.252551 BFGS: 358 16:36:33 -82.905317 10.365709 BFGS: 359 16:36:34 -82.858939 1.465313 BFGS: 360 16:36:34 -82.893961 3.582135 BFGS: 361 16:36:34 -82.868068 4.116023 BFGS: 362 16:36:34 -82.904537 9.702032 BFGS: 363 16:36:34 -82.858044 1.469238 BFGS: 364 16:36:34 -82.893960 3.605716 BFGS: 365 16:36:34 -82.866149 3.988492 BFGS: 366 16:36:34 -82.903753 9.116954 BFGS: 367 16:36:34 -82.857135 1.473105 BFGS: 368 16:36:35 -82.893955 3.626617 BFGS: 369 16:36:35 -82.864209 3.869233 BFGS: 370 16:36:35 -82.902966 8.598135 BFGS: 371 16:36:35 -82.856209 1.476913 BFGS: 372 16:36:35 -82.893945 3.644815 BFGS: 373 16:36:35 -82.862249 3.757581 BFGS: 374 16:36:35 -82.902177 8.135469 BFGS: 375 16:36:35 -82.855266 1.480669 BFGS: 376 16:36:35 -82.893929 3.660324 BFGS: 377 16:36:36 -82.860270 3.652932 BFGS: 378 16:36:36 -82.901386 7.720679 BFGS: 379 16:36:36 -82.854304 1.484377 BFGS: 380 16:36:36 -82.893907 3.673173 BFGS: 381 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16:48:59 -82.856425 2.240975 BFGS: 5569 16:48:59 -82.671447 1.992193 BFGS: 5570 16:48:59 -82.857971 2.029509 BFGS: 5571 16:49:00 -82.669505 2.003743 BFGS: 5572 16:49:00 -82.856426 2.241059 BFGS: 5573 16:49:00 -82.671443 1.992201 BFGS: 5574 16:49:00 -82.857970 2.029476 BFGS: 5575 16:49:00 -82.669505 2.003745 BFGS: 5576 16:49:00 -82.856427 2.241143 BFGS: 5577 16:49:01 -82.671438 1.992210 BFGS: 5578 16:49:01 -82.857968 2.029443 BFGS: 5579 16:49:01 -82.669505 2.003748 BFGS: 5580 16:49:01 -82.856429 2.241228 BFGS: 5581 16:49:01 -82.671434 1.992218 BFGS: 5582 16:49:01 -82.857966 2.029409 BFGS: 5583 16:49:01 -82.669505 2.003750 BFGS: 5584 16:49:02 -82.856430 2.241312 BFGS: 5585 16:49:02 -82.671429 1.992227 BFGS: 5586 16:49:02 -82.857965 2.029376 BFGS: 5587 16:49:02 -82.669505 2.003753 BFGS: 5588 16:49:02 -82.856431 2.241396 BFGS: 5589 16:49:02 -82.671425 1.992235 BFGS: 5590 16:49:02 -82.857963 2.029343 BFGS: 5591 16:49:02 -82.669505 2.003755 BFGS: 5592 16:49:03 -82.856433 2.241481 BFGS: 5593 16:49:03 -82.671421 1.992243 BFGS: 5594 16:49:03 -82.857961 2.029310 BFGS: 5595 16:49:03 -82.669505 2.003757 BFGS: 5596 16:49:03 -82.856434 2.241565 BFGS: 5597 16:49:03 -82.671416 1.992252 BFGS: 5598 16:49:04 -82.857960 2.029277 BFGS: 5599 16:49:04 -82.669505 2.003760 BFGS: 5600 16:49:04 -82.856436 2.241649 BFGS: 5601 16:49:04 -82.671412 1.992260 BFGS: 5602 16:49:04 -82.857958 2.029245 BFGS: 5603 16:49:04 -82.669505 2.003762 BFGS: 5604 16:49:05 -82.856437 2.241733 BFGS: 5605 16:49:05 -82.671407 1.992268 BFGS: 5606 16:49:05 -82.857957 2.029212 BFGS: 5607 16:49:05 -82.669505 2.003764 BFGS: 5608 16:49:05 -82.856438 2.241818 BFGS: 5609 16:49:05 -82.671403 1.992277 BFGS: 5610 16:49:06 -82.857955 2.029180 BFGS: 5611 16:49:06 -82.669505 2.003767 BFGS: 5612 16:49:06 -82.856440 2.241902 BFGS: 5613 16:49:06 -82.671398 1.992285 BFGS: 5614 16:49:06 -82.857953 2.029147 BFGS: 5615 16:49:07 -82.669506 2.003769 BFGS: 5616 16:49:07 -82.856441 2.241986 BFGS: 5617 16:49:07 -82.671394 1.992293 BFGS: 5618 16:49:07 -82.857952 2.029115 BFGS: 5619 16:49:07 -82.669506 2.003771 BFGS: 5620 16:49:07 -82.856442 2.242070 BFGS: 5621 16:49:07 -82.671390 1.992301 BFGS: 5622 16:49:08 -82.857950 2.029082 BFGS: 5623 16:49:08 -82.669506 2.003774 BFGS: 5624 16:49:08 -82.856444 2.242154 BFGS: 5625 16:49:08 -82.671385 1.992310 BFGS: 5626 16:49:08 -82.857948 2.029050 BFGS: 5627 16:49:09 -82.669506 2.003776 BFGS: 5628 16:49:09 -82.856445 2.242238 BFGS: 5629 16:49:09 -82.671381 1.992318 BFGS: 5630 16:49:09 -82.857947 2.029018 BFGS: 5631 16:49:09 -82.669506 2.003778 BFGS: 5632 16:49:10 -82.856446 2.242323 BFGS: 5633 16:49:10 -82.671377 1.992326 BFGS: 5634 16:49:10 -82.857945 2.028986 BFGS: 5635 16:49:10 -82.669506 2.003781 BFGS: 5636 16:49:10 -82.856448 2.242407 BFGS: 5637 16:49:10 -82.671372 1.992334 BFGS: 5638 16:49:11 -82.857944 2.028954 BFGS: 5639 16:49:11 -82.669506 2.003783 BFGS: 5640 16:49:11 -82.856449 2.242491 BFGS: 5641 16:49:11 -82.671368 1.992343 BFGS: 5642 16:49:11 -82.857942 2.028922 BFGS: 5643 16:49:11 -82.669506 2.003785 BFGS: 5644 16:49:12 -82.856450 2.242575 BFGS: 5645 16:49:12 -82.671364 1.992351 BFGS: 5646 16:49:12 -82.857940 2.028890 BFGS: 5647 16:49:12 -82.669506 2.003788 BFGS: 5648 16:49:12 -82.856452 2.242659 BFGS: 5649 16:49:13 -82.671359 1.992359 BFGS: 5650 16:49:13 -82.857939 2.028858 BFGS: 5651 16:49:13 -82.669506 2.003790 BFGS: 5652 16:49:13 -82.856453 2.242743 BFGS: 5653 16:49:13 -82.671355 1.992367 BFGS: 5654 16:49:13 -82.857937 2.028827 BFGS: 5655 16:49:14 -82.669506 2.003793 BFGS: 5656 16:49:14 -82.856454 2.242827 BFGS: 5657 16:49:14 -82.671351 1.992375 BFGS: 5658 16:49:14 -82.857936 2.028795 BFGS: 5659 16:49:14 -82.669506 2.003795 BFGS: 5660 16:49:14 -82.856456 2.242911 BFGS: 5661 16:49:15 -82.671346 1.992383 BFGS: 5662 16:49:15 -82.857934 2.028764 BFGS: 5663 16:49:15 -82.669506 2.003797 BFGS: 5664 16:49:15 -82.856457 2.242995 BFGS: 5665 16:49:15 -82.671342 1.992391 BFGS: 5666 16:49:15 -82.857933 2.028732 BFGS: 5667 16:49:16 -82.669506 2.003800 BFGS: 5668 16:49:16 -82.856458 2.243079 BFGS: 5669 16:49:16 -82.671338 1.992400 BFGS: 5670 16:49:16 -82.857931 2.028701 BFGS: 5671 16:49:16 -82.669506 2.003802 BFGS: 5672 16:49:16 -82.856460 2.243163 BFGS: 5673 16:49:17 -82.671333 1.992408 BFGS: 5674 16:49:17 -82.857929 2.028670 BFGS: 5675 16:49:17 -82.669506 2.003804 BFGS: 5676 16:49:17 -82.856461 2.243247 BFGS: 5677 16:49:17 -82.671329 1.992416 BFGS: 5678 16:49:18 -82.857928 2.028639 BFGS: 5679 16:49:18 -82.669506 2.003807 BFGS: 5680 16:49:18 -82.856462 2.243331 BFGS: 5681 16:49:18 -82.671325 1.992424 BFGS: 5682 16:49:18 -82.857926 2.028607 BFGS: 5683 16:49:18 -82.669506 2.003809 BFGS: 5684 16:49:19 -82.856464 2.243415 BFGS: 5685 16:49:19 -82.671321 1.992432 BFGS: 5686 16:49:19 -82.857925 2.028577 BFGS: 5687 16:49:19 -82.669506 2.003811 BFGS: 5688 16:49:19 -82.856465 2.243499 BFGS: 5689 16:49:19 -82.671316 1.992440 BFGS: 5690 16:49:20 -82.857923 2.028546 BFGS: 5691 16:49:20 -82.669507 2.003814 BFGS: 5692 16:49:20 -82.856466 2.243583 BFGS: 5693 16:49:20 -82.671312 1.992448 BFGS: 5694 16:49:20 -82.857922 2.028515 BFGS: 5695 16:49:21 -82.669507 2.003816 BFGS: 5696 16:49:21 -82.856468 2.243667 BFGS: 5697 16:49:21 -82.671308 1.992456 BFGS: 5698 16:49:22 -82.857920 2.028484 BFGS: 5699 16:49:22 -82.669507 2.003818 BFGS: 5700 16:49:22 -82.856469 2.243751 BFGS: 5701 16:49:22 -82.671304 1.992464 BFGS: 5702 16:49:22 -82.857919 2.028453 BFGS: 5703 16:49:22 -82.669507 2.003821 BFGS: 5704 16:49:22 -82.856470 2.243835 BFGS: 5705 16:49:23 -82.671299 1.992472 BFGS: 5706 16:49:23 -82.857917 2.028423 BFGS: 5707 16:49:23 -82.669507 2.003823 BFGS: 5708 16:49:23 -82.856472 2.243919 BFGS: 5709 16:49:23 -82.671295 1.992480 BFGS: 5710 16:49:23 -82.857916 2.028392 BFGS: 5711 16:49:23 -82.669507 2.003825 BFGS: 5712 16:49:24 -82.856473 2.244003 BFGS: 5713 16:49:24 -82.671291 1.992488 BFGS: 5714 16:49:24 -82.857914 2.028362 BFGS: 5715 16:49:24 -82.669507 2.003828 BFGS: 5716 16:49:24 -82.856474 2.244087 BFGS: 5717 16:49:24 -82.671287 1.992496 BFGS: 5718 16:49:25 -82.857912 2.028332 BFGS: 5719 16:49:25 -82.669507 2.003830 BFGS: 5720 16:49:25 -82.856476 2.244171 BFGS: 5721 16:49:25 -82.671282 1.992504 BFGS: 5722 16:49:25 -82.857911 2.028301 BFGS: 5723 16:49:26 -82.669507 2.003832 BFGS: 5724 16:49:26 -82.856477 2.244254 BFGS: 5725 16:49:26 -82.671278 1.992512 BFGS: 5726 16:49:26 -82.857909 2.028271 BFGS: 5727 16:49:26 -82.669507 2.003835 BFGS: 5728 16:49:27 -82.856478 2.244338 BFGS: 5729 16:49:27 -82.671274 1.992520 BFGS: 5730 16:49:27 -82.857908 2.028241 BFGS: 5731 16:49:27 -82.669507 2.003837 BFGS: 5732 16:49:27 -82.856480 2.244422 BFGS: 5733 16:49:27 -82.671270 1.992528 BFGS: 5734 16:49:28 -82.857906 2.028211 BFGS: 5735 16:49:28 -82.669507 2.003839 BFGS: 5736 16:49:28 -82.856481 2.244506 BFGS: 5737 16:49:28 -82.671266 1.992535 BFGS: 5738 16:49:28 -82.857905 2.028181 BFGS: 5739 16:49:29 -82.669507 2.003842 BFGS: 5740 16:49:29 -82.856482 2.244590 BFGS: 5741 16:49:29 -82.671262 1.992543 BFGS: 5742 16:49:29 -82.857903 2.028151 BFGS: 5743 16:49:30 -82.669508 2.003844 BFGS: 5744 16:49:30 -82.856483 2.244673 BFGS: 5745 16:49:30 -82.671257 1.992551 BFGS: 5746 16:49:30 -82.857902 2.028122 BFGS: 5747 16:49:31 -82.669508 2.003846 BFGS: 5748 16:49:31 -82.856485 2.244757 BFGS: 5749 16:49:31 -82.671253 1.992559 BFGS: 5750 16:49:31 -82.857900 2.028092 BFGS: 5751 16:49:31 -82.669508 2.003849 BFGS: 5752 16:49:32 -82.856486 2.244841 BFGS: 5753 16:49:32 -82.671249 1.992567 BFGS: 5754 16:49:32 -82.857899 2.028062 BFGS: 5755 16:49:32 -82.669508 2.003851 BFGS: 5756 16:49:32 -82.856487 2.244925 BFGS: 5757 16:49:33 -82.671245 1.992575 BFGS: 5758 16:49:33 -82.857897 2.028033 BFGS: 5759 16:49:33 -82.669508 2.003853 BFGS: 5760 16:49:33 -82.856489 2.245008 BFGS: 5761 16:49:33 -82.671241 1.992583 BFGS: 5762 16:49:33 -82.857896 2.028003 BFGS: 5763 16:49:34 -82.669508 2.003856 BFGS: 5764 16:49:34 -82.856490 2.245092 BFGS: 5765 16:49:34 -82.671237 1.992590 BFGS: 5766 16:49:34 -82.857894 2.027974 BFGS: 5767 16:49:34 -82.669508 2.003858 BFGS: 5768 16:49:34 -82.856491 2.245176 BFGS: 5769 16:49:35 -82.671233 1.992598 BFGS: 5770 16:49:35 -82.857893 2.027945 BFGS: 5771 16:49:35 -82.669508 2.003860 BFGS: 5772 16:49:35 -82.856493 2.245260 BFGS: 5773 16:49:35 -82.671229 1.992606 BFGS: 5774 16:49:35 -82.857891 2.027915 BFGS: 5775 16:49:36 -82.669508 2.003863 BFGS: 5776 16:49:36 -82.856494 2.245343 BFGS: 5777 16:49:36 -82.671225 1.992614 BFGS: 5778 16:49:36 -82.857890 2.027886 BFGS: 5779 16:49:36 -82.669508 2.003865 BFGS: 5780 16:49:36 -82.856495 2.245427 BFGS: 5781 16:49:36 -82.671220 1.992622 BFGS: 5782 16:49:37 -82.857888 2.027857 BFGS: 5783 16:49:37 -82.669509 2.003867 BFGS: 5784 16:49:37 -82.856496 2.245511 BFGS: 5785 16:49:37 -82.671216 1.992629 BFGS: 5786 16:49:37 -82.857887 2.027828 BFGS: 5787 16:49:38 -82.669509 2.003870 BFGS: 5788 16:49:38 -82.856498 2.245594 BFGS: 5789 16:49:38 -82.671212 1.992637 BFGS: 5790 16:49:38 -82.857885 2.027799 BFGS: 5791 16:49:38 -82.669509 2.003872 BFGS: 5792 16:49:38 -82.856499 2.245678 BFGS: 5793 16:49:39 -82.671208 1.992645 BFGS: 5794 16:49:39 -82.857884 2.027770 BFGS: 5795 16:49:39 -82.669509 2.003874 BFGS: 5796 16:49:39 -82.856500 2.245762 BFGS: 5797 16:49:39 -82.671204 1.992653 BFGS: 5798 16:49:39 -82.857883 2.027742 BFGS: 5799 16:49:39 -82.669509 2.003877 BFGS: 5800 16:49:40 -82.856502 2.245845 BFGS: 5801 16:49:40 -82.671200 1.992660 BFGS: 5802 16:49:40 -82.857881 2.027713 BFGS: 5803 16:49:40 -82.669509 2.003879 BFGS: 5804 16:49:40 -82.856503 2.245929 BFGS: 5805 16:49:41 -82.671196 1.992668 BFGS: 5806 16:49:41 -82.857880 2.027684 BFGS: 5807 16:49:41 -82.669509 2.003881 BFGS: 5808 16:49:41 -82.856504 2.246012 BFGS: 5809 16:49:41 -82.671192 1.992676 BFGS: 5810 16:49:42 -82.857878 2.027656 BFGS: 5811 16:49:42 -82.669509 2.003884 BFGS: 5812 16:49:42 -82.856505 2.246096 BFGS: 5813 16:49:42 -82.671188 1.992683 BFGS: 5814 16:49:42 -82.857877 2.027628 BFGS: 5815 16:49:43 -82.669510 2.003886 BFGS: 5816 16:49:43 -82.856507 2.246179 BFGS: 5817 16:49:43 -82.671184 1.992691 BFGS: 5818 16:49:43 -82.857875 2.027599 BFGS: 5819 16:49:43 -82.669510 2.003888 BFGS: 5820 16:49:44 -82.856508 2.246263 BFGS: 5821 16:49:44 -82.671180 1.992699 BFGS: 5822 16:49:44 -82.857874 2.027571 BFGS: 5823 16:49:44 -82.669510 2.003891 BFGS: 5824 16:49:44 -82.856509 2.246347 BFGS: 5825 16:49:44 -82.671176 1.992706 BFGS: 5826 16:49:44 -82.857872 2.027543 BFGS: 5827 16:49:44 -82.669510 2.003893 BFGS: 5828 16:49:45 -82.856510 2.246430 BFGS: 5829 16:49:45 -82.671172 1.992714 BFGS: 5830 16:49:45 -82.857871 2.027515 BFGS: 5831 16:49:45 -82.669510 2.003895 BFGS: 5832 16:49:45 -82.856512 2.246514 BFGS: 5833 16:49:45 -82.671168 1.992721 BFGS: 5834 16:49:45 -82.857869 2.027487 BFGS: 5835 16:49:46 -82.669510 2.003898 BFGS: 5836 16:49:46 -82.856513 2.246597 BFGS: 5837 16:49:46 -82.671164 1.992729 BFGS: 5838 16:49:46 -82.857868 2.027459 BFGS: 5839 16:49:47 -82.669510 2.003900 BFGS: 5840 16:49:47 -82.856514 2.246681 BFGS: 5841 16:49:47 -82.671160 1.992737 BFGS: 5842 16:49:47 -82.857867 2.027431 BFGS: 5843 16:49:48 -82.669510 2.003902 BFGS: 5844 16:49:48 -82.856516 2.246764 BFGS: 5845 16:49:48 -82.671156 1.992744 BFGS: 5846 16:49:48 -82.857865 2.027403 BFGS: 5847 16:49:48 -82.669511 2.003904 BFGS: 5848 16:49:49 -82.856517 2.246848 BFGS: 5849 16:49:49 -82.671152 1.992752 BFGS: 5850 16:49:49 -82.857864 2.027375 BFGS: 5851 16:49:49 -82.669511 2.003907 BFGS: 5852 16:49:49 -82.856518 2.246931 BFGS: 5853 16:49:49 -82.671148 1.992759 BFGS: 5854 16:49:50 -82.857862 2.027347 BFGS: 5855 16:49:50 -82.669511 2.003909 BFGS: 5856 16:49:50 -82.856519 2.247014 BFGS: 5857 16:49:50 -82.671144 1.992767 BFGS: 5858 16:49:51 -82.857861 2.027320 BFGS: 5859 16:49:51 -82.669511 2.003911 BFGS: 5860 16:49:51 -82.856521 2.247098 BFGS: 5861 16:49:51 -82.671140 1.992774 BFGS: 5862 16:49:51 -82.857859 2.027292 BFGS: 5863 16:49:51 -82.669511 2.003914 BFGS: 5864 16:49:51 -82.856522 2.247181 BFGS: 5865 16:49:52 -82.671137 1.992782 BFGS: 5866 16:49:52 -82.857858 2.027265 BFGS: 5867 16:49:52 -82.669511 2.003916 BFGS: 5868 16:49:53 -82.856523 2.247265 BFGS: 5869 16:49:53 -82.671133 1.992790 BFGS: 5870 16:49:53 -82.857857 2.027238 BFGS: 5871 16:49:53 -82.669511 2.003918 BFGS: 5872 16:49:54 -82.856524 2.247348 BFGS: 5873 16:49:54 -82.671129 1.992797 BFGS: 5874 16:49:54 -82.857855 2.027210 BFGS: 5875 16:49:54 -82.669512 2.003921 BFGS: 5876 16:49:55 -82.856526 2.247431 BFGS: 5877 16:49:55 -82.671125 1.992805 BFGS: 5878 16:49:55 -82.857854 2.027183 BFGS: 5879 16:49:55 -82.669512 2.003923 BFGS: 5880 16:49:56 -82.856527 2.247515 BFGS: 5881 16:49:56 -82.671121 1.992812 BFGS: 5882 16:49:56 -82.857852 2.027156 BFGS: 5883 16:49:57 -82.669512 2.003925 BFGS: 5884 16:49:57 -82.856528 2.247598 BFGS: 5885 16:49:57 -82.671117 1.992819 BFGS: 5886 16:49:57 -82.857851 2.027129 BFGS: 5887 16:49:57 -82.669512 2.003928 BFGS: 5888 16:49:57 -82.856529 2.247681 BFGS: 5889 16:49:58 -82.671113 1.992827 BFGS: 5890 16:49:58 -82.857850 2.027102 BFGS: 5891 16:49:58 -82.669512 2.003930 BFGS: 5892 16:49:58 -82.856531 2.247765 BFGS: 5893 16:49:58 -82.671109 1.992834 BFGS: 5894 16:49:58 -82.857848 2.027075 BFGS: 5895 16:49:58 -82.669512 2.003932 BFGS: 5896 16:49:59 -82.856532 2.247848 BFGS: 5897 16:49:59 -82.671105 1.992842 BFGS: 5898 16:49:59 -82.857847 2.027048 BFGS: 5899 16:49:59 -82.669512 2.003935 BFGS: 5900 16:49:59 -82.856533 2.247931 BFGS: 5901 16:50:00 -82.671101 1.992849 BFGS: 5902 16:50:00 -82.857845 2.027021 BFGS: 5903 16:50:00 -82.669513 2.003937 BFGS: 5904 16:50:00 -82.856534 2.248015 BFGS: 5905 16:50:00 -82.671098 1.992857 BFGS: 5906 16:50:00 -82.857844 2.026995 BFGS: 5907 16:50:01 -82.669513 2.003939 BFGS: 5908 16:50:01 -82.856536 2.248098 BFGS: 5909 16:50:01 -82.671094 1.992864 BFGS: 5910 16:50:01 -82.857843 2.026968 BFGS: 5911 16:50:01 -82.669513 2.003941 BFGS: 5912 16:50:02 -82.856537 2.248181 BFGS: 5913 16:50:02 -82.671090 1.992871 BFGS: 5914 16:50:02 -82.857841 2.026942 BFGS: 5915 16:50:02 -82.669513 2.003944 BFGS: 5916 16:50:03 -82.856538 2.248264 BFGS: 5917 16:50:03 -82.671086 1.992879 BFGS: 5918 16:50:03 -82.857840 2.026915 BFGS: 5919 16:50:03 -82.669513 2.003946 BFGS: 5920 16:50:03 -82.856539 2.248348 BFGS: 5921 16:50:04 -82.671082 1.992886 BFGS: 5922 16:50:04 -82.857838 2.026889 BFGS: 5923 16:50:04 -82.669513 2.003948 BFGS: 5924 16:50:05 -82.856541 2.248431 BFGS: 5925 16:50:05 -82.671078 1.992894 BFGS: 5926 16:50:05 -82.857837 2.026862 BFGS: 5927 16:50:05 -82.669514 2.003951 BFGS: 5928 16:50:06 -82.856542 2.248514 BFGS: 5929 16:50:06 -82.671075 1.992901 BFGS: 5930 16:50:06 -82.857836 2.026836 BFGS: 5931 16:50:07 -82.669514 2.003953 BFGS: 5932 16:50:07 -82.856543 2.248597 BFGS: 5933 16:50:07 -82.671071 1.992908 BFGS: 5934 16:50:08 -82.857834 2.026810 BFGS: 5935 16:50:08 -82.669514 2.003955 BFGS: 5936 16:50:08 -82.856544 2.248681 BFGS: 5937 16:50:08 -82.671067 1.992916 BFGS: 5938 16:50:09 -82.857833 2.026784 BFGS: 5939 16:50:09 -82.669514 2.003958 BFGS: 5940 16:50:09 -82.856546 2.248764 BFGS: 5941 16:50:09 -82.671063 1.992923 BFGS: 5942 16:50:10 -82.857832 2.026758 BFGS: 5943 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16:59:54 -82.857291 2.022581 BFGS: 9719 16:59:54 -82.670016 2.006092 BFGS: 9720 16:59:54 -82.857318 2.322288 BFGS: 9721 16:59:54 -82.669363 1.996949 BFGS: 9722 16:59:55 -82.857291 2.022591 BFGS: 9723 16:59:55 -82.670016 2.006094 BFGS: 9724 16:59:55 -82.857319 2.322361 BFGS: 9725 16:59:55 -82.669362 1.996951 BFGS: 9726 16:59:55 -82.857291 2.022600 BFGS: 9727 16:59:55 -82.670017 2.006096 BFGS: 9728 16:59:55 -82.857320 2.322434 BFGS: 9729 16:59:56 -82.669361 1.996954 BFGS: 9730 16:59:56 -82.857291 2.022609 BFGS: 9731 16:59:56 -82.670018 2.006099 BFGS: 9732 16:59:56 -82.857320 2.322507 BFGS: 9733 16:59:56 -82.669361 1.996957 BFGS: 9734 16:59:56 -82.857291 2.022618 BFGS: 9735 16:59:56 -82.670018 2.006101 BFGS: 9736 16:59:56 -82.857321 2.322579 BFGS: 9737 16:59:57 -82.669360 1.996959 BFGS: 9738 16:59:57 -82.857291 2.022627 BFGS: 9739 16:59:57 -82.670019 2.006103 BFGS: 9740 16:59:57 -82.857321 2.322652 BFGS: 9741 16:59:57 -82.669360 1.996962 BFGS: 9742 16:59:57 -82.857291 2.022637 BFGS: 9743 16:59:57 -82.670020 2.006106 BFGS: 9744 16:59:57 -82.857322 2.322725 BFGS: 9745 16:59:57 -82.669359 1.996964 BFGS: 9746 16:59:58 -82.857290 2.022646 BFGS: 9747 16:59:58 -82.670020 2.006108 BFGS: 9748 16:59:58 -82.857322 2.322798 BFGS: 9749 16:59:58 -82.669358 1.996967 BFGS: 9750 16:59:58 -82.857290 2.022655 BFGS: 9751 16:59:58 -82.670021 2.006110 BFGS: 9752 16:59:58 -82.857323 2.322870 BFGS: 9753 16:59:58 -82.669358 1.996969 BFGS: 9754 16:59:59 -82.857290 2.022664 BFGS: 9755 16:59:59 -82.670022 2.006113 BFGS: 9756 16:59:59 -82.857323 2.322943 BFGS: 9757 16:59:59 -82.669357 1.996972 BFGS: 9758 16:59:59 -82.857290 2.022674 BFGS: 9759 16:59:59 -82.670022 2.006115 BFGS: 9760 16:59:59 -82.857324 2.323016 BFGS: 9761 16:59:59 -82.669356 1.996975 BFGS: 9762 16:59:59 -82.857290 2.022683 BFGS: 9763 17:00:00 -82.670023 2.006117 BFGS: 9764 17:00:00 -82.857325 2.323088 BFGS: 9765 17:00:00 -82.669356 1.996977 BFGS: 9766 17:00:00 -82.857290 2.022692 BFGS: 9767 17:00:00 -82.670024 2.006120 BFGS: 9768 17:00:00 -82.857325 2.323161 BFGS: 9769 17:00:00 -82.669355 1.996980 BFGS: 9770 17:00:00 -82.857290 2.022702 BFGS: 9771 17:00:01 -82.670024 2.006122 BFGS: 9772 17:00:01 -82.857326 2.323234 BFGS: 9773 17:00:01 -82.669354 1.996982 BFGS: 9774 17:00:01 -82.857290 2.022711 BFGS: 9775 17:00:01 -82.670025 2.006124 BFGS: 9776 17:00:01 -82.857326 2.323306 BFGS: 9777 17:00:01 -82.669354 1.996985 BFGS: 9778 17:00:01 -82.857290 2.022721 BFGS: 9779 17:00:02 -82.670026 2.006127 BFGS: 9780 17:00:02 -82.857327 2.323379 BFGS: 9781 17:00:02 -82.669353 1.996987 BFGS: 9782 17:00:02 -82.857289 2.022730 BFGS: 9783 17:00:02 -82.670026 2.006129 BFGS: 9784 17:00:02 -82.857327 2.323452 BFGS: 9785 17:00:02 -82.669353 1.996990 BFGS: 9786 17:00:02 -82.857289 2.022740 BFGS: 9787 17:00:02 -82.670027 2.006131 BFGS: 9788 17:00:03 -82.857328 2.323524 BFGS: 9789 17:00:03 -82.669352 1.996992 BFGS: 9790 17:00:03 -82.857289 2.022749 BFGS: 9791 17:00:03 -82.670028 2.006134 BFGS: 9792 17:00:03 -82.857328 2.323597 BFGS: 9793 17:00:03 -82.669351 1.996995 BFGS: 9794 17:00:03 -82.857289 2.022758 BFGS: 9795 17:00:03 -82.670028 2.006136 BFGS: 9796 17:00:04 -82.857329 2.323670 BFGS: 9797 17:00:04 -82.669351 1.996997 BFGS: 9798 17:00:04 -82.857289 2.022768 BFGS: 9799 17:00:04 -82.670029 2.006139 BFGS: 9800 17:00:04 -82.857329 2.323742 BFGS: 9801 17:00:04 -82.669350 1.997000 BFGS: 9802 17:00:04 -82.857289 2.022777 BFGS: 9803 17:00:04 -82.670030 2.006141 BFGS: 9804 17:00:04 -82.857330 2.323815 BFGS: 9805 17:00:05 -82.669349 1.997003 BFGS: 9806 17:00:05 -82.857289 2.022787 BFGS: 9807 17:00:05 -82.670030 2.006143 BFGS: 9808 17:00:05 -82.857331 2.323887 BFGS: 9809 17:00:05 -82.669349 1.997005 BFGS: 9810 17:00:05 -82.857289 2.022797 BFGS: 9811 17:00:05 -82.670031 2.006146 BFGS: 9812 17:00:05 -82.857331 2.323960 BFGS: 9813 17:00:06 -82.669348 1.997008 BFGS: 9814 17:00:06 -82.857289 2.022806 BFGS: 9815 17:00:06 -82.670032 2.006148 BFGS: 9816 17:00:06 -82.857332 2.324032 BFGS: 9817 17:00:06 -82.669348 1.997010 BFGS: 9818 17:00:06 -82.857288 2.022816 BFGS: 9819 17:00:06 -82.670032 2.006150 BFGS: 9820 17:00:06 -82.857332 2.324105 BFGS: 9821 17:00:07 -82.669347 1.997013 BFGS: 9822 17:00:07 -82.857288 2.022825 BFGS: 9823 17:00:07 -82.670033 2.006153 BFGS: 9824 17:00:07 -82.857333 2.324177 BFGS: 9825 17:00:07 -82.669346 1.997015 BFGS: 9826 17:00:07 -82.857288 2.022835 BFGS: 9827 17:00:07 -82.670034 2.006155 BFGS: 9828 17:00:08 -82.857333 2.324250 BFGS: 9829 17:00:08 -82.669346 1.997018 BFGS: 9830 17:00:08 -82.857288 2.022845 BFGS: 9831 17:00:08 -82.670034 2.006157 BFGS: 9832 17:00:08 -82.857334 2.324323 BFGS: 9833 17:00:08 -82.669345 1.997020 BFGS: 9834 17:00:08 -82.857288 2.022854 BFGS: 9835 17:00:08 -82.670035 2.006160 BFGS: 9836 17:00:09 -82.857334 2.324395 BFGS: 9837 17:00:09 -82.669345 1.997023 BFGS: 9838 17:00:09 -82.857288 2.022864 BFGS: 9839 17:00:09 -82.670036 2.006162 BFGS: 9840 17:00:09 -82.857335 2.324468 BFGS: 9841 17:00:09 -82.669344 1.997025 BFGS: 9842 17:00:09 -82.857288 2.022874 BFGS: 9843 17:00:09 -82.670036 2.006164 BFGS: 9844 17:00:09 -82.857335 2.324540 BFGS: 9845 17:00:10 -82.669343 1.997028 BFGS: 9846 17:00:10 -82.857288 2.022883 BFGS: 9847 17:00:10 -82.670037 2.006167 BFGS: 9848 17:00:10 -82.857336 2.324613 BFGS: 9849 17:00:10 -82.669343 1.997030 BFGS: 9850 17:00:10 -82.857288 2.022893 BFGS: 9851 17:00:10 -82.670038 2.006169 BFGS: 9852 17:00:10 -82.857337 2.324685 BFGS: 9853 17:00:11 -82.669342 1.997033 BFGS: 9854 17:00:11 -82.857288 2.022903 BFGS: 9855 17:00:11 -82.670038 2.006171 BFGS: 9856 17:00:11 -82.857337 2.324757 BFGS: 9857 17:00:11 -82.669341 1.997035 BFGS: 9858 17:00:11 -82.857287 2.022913 BFGS: 9859 17:00:11 -82.670039 2.006174 BFGS: 9860 17:00:11 -82.857338 2.324830 BFGS: 9861 17:00:12 -82.669341 1.997038 BFGS: 9862 17:00:12 -82.857287 2.022922 BFGS: 9863 17:00:12 -82.670040 2.006176 BFGS: 9864 17:00:12 -82.857338 2.324902 BFGS: 9865 17:00:12 -82.669340 1.997040 BFGS: 9866 17:00:12 -82.857287 2.022932 BFGS: 9867 17:00:12 -82.670040 2.006178 BFGS: 9868 17:00:12 -82.857339 2.324975 BFGS: 9869 17:00:13 -82.669340 1.997043 BFGS: 9870 17:00:13 -82.857287 2.022942 BFGS: 9871 17:00:13 -82.670041 2.006181 BFGS: 9872 17:00:13 -82.857339 2.325047 BFGS: 9873 17:00:13 -82.669339 1.997045 BFGS: 9874 17:00:13 -82.857287 2.022952 BFGS: 9875 17:00:13 -82.670042 2.006183 BFGS: 9876 17:00:13 -82.857340 2.325120 BFGS: 9877 17:00:13 -82.669338 1.997048 BFGS: 9878 17:00:14 -82.857287 2.022962 BFGS: 9879 17:00:14 -82.670042 2.006186 BFGS: 9880 17:00:14 -82.857340 2.325192 BFGS: 9881 17:00:14 -82.669338 1.997050 BFGS: 9882 17:00:14 -82.857287 2.022972 BFGS: 9883 17:00:14 -82.670043 2.006188 BFGS: 9884 17:00:14 -82.857341 2.325264 BFGS: 9885 17:00:14 -82.669337 1.997053 BFGS: 9886 17:00:15 -82.857287 2.022981 BFGS: 9887 17:00:15 -82.670044 2.006190 BFGS: 9888 17:00:15 -82.857341 2.325337 BFGS: 9889 17:00:15 -82.669337 1.997055 BFGS: 9890 17:00:15 -82.857287 2.022991 BFGS: 9891 17:00:15 -82.670044 2.006193 BFGS: 9892 17:00:15 -82.857342 2.325409 BFGS: 9893 17:00:15 -82.669336 1.997058 BFGS: 9894 17:00:15 -82.857287 2.023001 BFGS: 9895 17:00:15 -82.670045 2.006195 BFGS: 9896 17:00:16 -82.857343 2.325481 BFGS: 9897 17:00:16 -82.669335 1.997060 BFGS: 9898 17:00:16 -82.857286 2.023011 BFGS: 9899 17:00:16 -82.670046 2.006197 BFGS: 9900 17:00:16 -82.857343 2.325554 BFGS: 9901 17:00:16 -82.669335 1.997063 BFGS: 9902 17:00:16 -82.857286 2.023021 BFGS: 9903 17:00:16 -82.670046 2.006200 BFGS: 9904 17:00:17 -82.857344 2.325626 BFGS: 9905 17:00:17 -82.669334 1.997065 BFGS: 9906 17:00:17 -82.857286 2.023031 BFGS: 9907 17:00:17 -82.670047 2.006202 BFGS: 9908 17:00:17 -82.857344 2.325698 BFGS: 9909 17:00:17 -82.669334 1.997068 BFGS: 9910 17:00:17 -82.857286 2.023041 BFGS: 9911 17:00:17 -82.670047 2.006204 BFGS: 9912 17:00:18 -82.857345 2.325771 BFGS: 9913 17:00:18 -82.669333 1.997070 BFGS: 9914 17:00:18 -82.857286 2.023051 BFGS: 9915 17:00:18 -82.670048 2.006207 BFGS: 9916 17:00:18 -82.857345 2.325843 BFGS: 9917 17:00:18 -82.669333 1.997073 BFGS: 9918 17:00:18 -82.857286 2.023061 BFGS: 9919 17:00:18 -82.670049 2.006209 BFGS: 9920 17:00:19 -82.857346 2.325915 BFGS: 9921 17:00:19 -82.669332 1.997075 BFGS: 9922 17:00:19 -82.857286 2.023071 BFGS: 9923 17:00:19 -82.670049 2.006211 BFGS: 9924 17:00:19 -82.857346 2.325988 BFGS: 9925 17:00:19 -82.669331 1.997078 BFGS: 9926 17:00:19 -82.857286 2.023081 BFGS: 9927 17:00:19 -82.670050 2.006214 BFGS: 9928 17:00:19 -82.857347 2.326060 BFGS: 9929 17:00:20 -82.669331 1.997080 BFGS: 9930 17:00:20 -82.857286 2.023091 BFGS: 9931 17:00:20 -82.670051 2.006216 BFGS: 9932 17:00:20 -82.857347 2.326132 BFGS: 9933 17:00:20 -82.669330 1.997083 BFGS: 9934 17:00:20 -82.857286 2.023102 BFGS: 9935 17:00:20 -82.670051 2.006219 BFGS: 9936 17:00:20 -82.857348 2.326204 BFGS: 9937 17:00:21 -82.669330 1.997085 BFGS: 9938 17:00:21 -82.857285 2.023112 BFGS: 9939 17:00:21 -82.670052 2.006221 BFGS: 9940 17:00:21 -82.857348 2.326277 BFGS: 9941 17:00:21 -82.669329 1.997088 BFGS: 9942 17:00:21 -82.857285 2.023122 BFGS: 9943 17:00:21 -82.670053 2.006223 BFGS: 9944 17:00:21 -82.857349 2.326349 BFGS: 9945 17:00:22 -82.669328 1.997090 BFGS: 9946 17:00:22 -82.857285 2.023132 BFGS: 9947 17:00:22 -82.670053 2.006226 BFGS: 9948 17:00:22 -82.857350 2.326421 BFGS: 9949 17:00:22 -82.669328 1.997093 BFGS: 9950 17:00:22 -82.857285 2.023142 BFGS: 9951 17:00:22 -82.670054 2.006228 BFGS: 9952 17:00:22 -82.857350 2.326493 BFGS: 9953 17:00:22 -82.669327 1.997095 BFGS: 9954 17:00:23 -82.857285 2.023152 BFGS: 9955 17:00:23 -82.670055 2.006230 BFGS: 9956 17:00:23 -82.857351 2.326566 BFGS: 9957 17:00:23 -82.669327 1.997098 BFGS: 9958 17:00:23 -82.857285 2.023163 BFGS: 9959 17:00:23 -82.670055 2.006233 BFGS: 9960 17:00:23 -82.857351 2.326638 BFGS: 9961 17:00:23 -82.669326 1.997100 BFGS: 9962 17:00:23 -82.857285 2.023173 BFGS: 9963 17:00:24 -82.670056 2.006235 BFGS: 9964 17:00:24 -82.857352 2.326710 BFGS: 9965 17:00:24 -82.669326 1.997103 BFGS: 9966 17:00:24 -82.857285 2.023183 BFGS: 9967 17:00:24 -82.670057 2.006237 BFGS: 9968 17:00:24 -82.857352 2.326782 BFGS: 9969 17:00:24 -82.669325 1.997105 BFGS: 9970 17:00:24 -82.857285 2.023193 BFGS: 9971 17:00:24 -82.670057 2.006240 BFGS: 9972 17:00:25 -82.857353 2.326854 BFGS: 9973 17:00:25 -82.669324 1.997108 BFGS: 9974 17:00:25 -82.857285 2.023204 BFGS: 9975 17:00:25 -82.670058 2.006242 BFGS: 9976 17:00:25 -82.857353 2.326927 BFGS: 9977 17:00:25 -82.669324 1.997110 BFGS: 9978 17:00:25 -82.857285 2.023214 BFGS: 9979 17:00:25 -82.670059 2.006245 BFGS: 9980 17:00:25 -82.857354 2.326999 BFGS: 9981 17:00:25 -82.669323 1.997113 BFGS: 9982 17:00:26 -82.857284 2.023224 BFGS: 9983 17:00:26 -82.670059 2.006247 BFGS: 9984 17:00:26 -82.857354 2.327071 BFGS: 9985 17:00:26 -82.669323 1.997115 BFGS: 9986 17:00:26 -82.857284 2.023234 BFGS: 9987 17:00:26 -82.670060 2.006249 BFGS: 9988 17:00:26 -82.857355 2.327143 BFGS: 9989 17:00:26 -82.669322 1.997118 BFGS: 9990 17:00:26 -82.857284 2.023245 BFGS: 9991 17:00:27 -82.670061 2.006252 BFGS: 9992 17:00:27 -82.857355 2.327215 BFGS: 9993 17:00:27 -82.669322 1.997120 BFGS: 9994 17:00:27 -82.857284 2.023255 BFGS: 9995 17:00:27 -82.670061 2.006254 BFGS: 9996 17:00:27 -82.857356 2.327287 BFGS: 9997 17:00:27 -82.669321 1.997122 BFGS: 9998 17:00:27 -82.857284 2.023266 BFGS: 9999 17:00:27 -82.670062 2.006256 BFGS: 10000 17:00:28 -82.857357 2.327359 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 2.4813293110061854 eV/Angstrom Maximum stress component: 0.002760253047043913 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Ti', 'Ti', 'Ti', 'Ti'] basis = [[0.07810055 0.25 0.93303247] [0.92189945 0.75 0.06696753] [0.7975746 0.25 0.73014443] [0.2024254 0.75 0.26985557] [0.49460594 0.25 0.06124777] [0.50539406 0.75 0.93875223] [0.29330012 0.25 0.53580711] [0.70669988 0.75 0.46419289] [0.30478505 0.25 0.77204279] [0.69521495 0.75 0.22795721] [0.30412116 0.25 0.77022345] [0.69587884 0.75 0.22977655]] cellpar = Cell([[4.639722951976879, 1.3817656710225107e-17, -0.42951456622337425], [2.0192510705877554e-17, 3.9059724853081406, -1.2315865248056748e-16], [0.2524173943421229, -3.6004337087655104e-16, 8.308792782158426]]) forces = [[-2.06098432e-02 8.50331456e-19 -1.91470041e-02] [ 2.06098432e-02 -8.50331456e-19 1.91470041e-02] [ 3.21897048e-02 -8.41298885e-19 1.86628416e-02] [-3.21897048e-02 8.41298885e-19 -1.86628416e-02] [-4.41937615e-02 1.66528347e-18 -3.74061856e-02] [ 4.41937615e-02 -1.66528347e-18 3.74061856e-02] [ 3.31577213e-02 1.56280878e-18 -3.68803757e-02] [-3.31577213e-02 -1.56280878e-18 3.68803757e-02] [ 1.73355170e+00 1.05114670e-16 -2.46875913e+00] [-1.73355170e+00 -1.05114670e-16 2.46875913e+00] [-1.72286809e+00 -1.05669986e-16 2.48132931e+00] [ 1.72286809e+00 1.05669986e-16 -2.48132931e+00]] stress = [-1.64237965e-03 9.20217189e-04 -1.90538629e-04 -2.93347535e-19 -2.76025305e-03 9.02871507e-20] energy per atom = -6.904779710414643 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0