element(s): ['O', 'Ti'] AFLOW prototype label: AB3_hP24_149_acgi_3l Parameter names: ['a', 'c/a', 'z3', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.245', '2.7803051', '0.66669015', '0.66681082', '0.3333806', '0.0032660684', '0.57847253', '0.99559119', '0.66604101', '0.75513374', '0.32894732', '0.99490721', '0.91137624'] 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', 'Ti'] representative atom coordinates = [[0. 0. 0. ] [0.33333333 0.66666667 0. ] [0. 0. 0.66669015] [0.66666667 0.33333333 0.66681082] [0.99673393 0.33011453 0.57847253] [0.33395899 0.32955018 0.75513374] [0.00509279 0.33404011 0.91137624]] spacegroup = 149 cell = [[5.245, 0, 0], [-2.6225, 4.5423032428494, 0], [0, 0, 14.5827]] ========================================= Step Time Energy fmax BFGS: 0 15:42:44 -27.661431 3.180118 BFGS: 1 15:42:44 -28.229647 3.104479 BFGS: 2 15:42:44 -28.858792 3.019606 BFGS: 3 15:42:44 -29.490392 2.934330 BFGS: 4 15:42:44 -30.124103 2.849872 BFGS: 5 15:42:44 -30.760050 2.767102 BFGS: 6 15:42:45 -31.398458 2.686314 BFGS: 7 15:42:45 -32.039267 2.606997 BFGS: 8 15:42:45 -32.681409 2.527620 BFGS: 9 15:42:45 -33.317438 2.436490 BFGS: 10 15:42:45 -33.921541 2.350436 BFGS: 11 15:42:45 -34.513892 2.274825 BFGS: 12 15:42:45 -35.102432 2.209269 BFGS: 13 15:42:45 -35.699947 2.193841 BFGS: 14 15:42:45 -36.319468 2.175256 BFGS: 15 15:42:45 -36.960553 2.157700 BFGS: 16 15:42:45 -37.627718 2.167357 BFGS: 17 15:42:45 -38.331848 2.200459 BFGS: 18 15:42:45 -39.079885 2.340794 BFGS: 19 15:42:45 -39.879747 2.485798 BFGS: 20 15:42:45 -40.732923 2.657187 BFGS: 21 15:42:45 -41.635419 2.833025 BFGS: 22 15:42:45 -42.591268 2.981019 BFGS: 23 15:42:45 -43.607105 3.118822 BFGS: 24 15:42:45 -44.690485 3.251336 BFGS: 25 15:42:45 -45.848879 3.372358 BFGS: 26 15:42:46 -47.085830 3.467971 BFGS: 27 15:42:46 -48.397517 3.528480 BFGS: 28 15:42:46 -49.768382 3.546639 BFGS: 29 15:42:46 -51.238658 3.567367 BFGS: 30 15:42:46 -52.736971 3.531326 BFGS: 31 15:42:46 -54.249379 3.469769 BFGS: 32 15:42:46 -55.765548 3.371455 BFGS: 33 15:42:46 -57.276963 3.278939 BFGS: 34 15:42:46 -58.775061 3.250368 BFGS: 35 15:42:47 -60.245102 3.196907 BFGS: 36 15:42:47 -61.662835 3.116960 BFGS: 37 15:42:47 -63.011597 3.023817 BFGS: 38 15:42:48 -64.285932 2.929154 BFGS: 39 15:42:48 -65.510044 2.849160 BFGS: 40 15:42:48 -66.689393 2.792111 BFGS: 41 15:42:48 -67.814883 2.754393 BFGS: 42 15:42:48 -68.886595 2.702421 BFGS: 43 15:42:48 -69.911936 2.735578 BFGS: 44 15:42:49 -70.898084 2.814849 BFGS: 45 15:42:49 -71.851349 2.889743 BFGS: 46 15:42:49 -72.774601 2.962951 BFGS: 47 15:42:49 -73.667256 3.037980 BFGS: 48 15:42:49 -74.524841 3.116111 BFGS: 49 15:42:50 -75.361135 3.175340 BFGS: 50 15:42:50 -76.181642 3.220716 BFGS: 51 15:42:50 -76.963770 3.255556 BFGS: 52 15:42:51 -77.706546 3.289794 BFGS: 53 15:42:51 -78.415404 3.324358 BFGS: 54 15:42:51 -79.095133 3.361394 BFGS: 55 15:42:52 -79.750495 3.400349 BFGS: 56 15:42:52 -80.385868 3.440508 BFGS: 57 15:42:52 -81.006536 3.480828 BFGS: 58 15:42:52 -81.617357 3.521188 BFGS: 59 15:42:52 -82.222197 3.566646 BFGS: 60 15:42:53 -82.822546 3.611916 BFGS: 61 15:42:53 -83.418465 3.656989 BFGS: 62 15:42:53 -84.009712 3.700970 BFGS: 63 15:42:53 -84.594667 3.743839 BFGS: 64 15:42:54 -85.171442 3.791151 BFGS: 65 15:42:54 -85.742553 3.835749 BFGS: 66 15:42:54 -86.309005 3.876064 BFGS: 67 15:42:54 -86.871796 3.912175 BFGS: 68 15:42:54 -87.432690 3.943121 BFGS: 69 15:42:55 -87.993526 3.968069 BFGS: 70 15:42:55 -88.556088 3.985346 BFGS: 71 15:42:55 -89.123151 3.990083 BFGS: 72 15:42:55 -89.698096 3.985739 BFGS: 73 15:42:55 -90.284270 3.969506 BFGS: 74 15:42:56 -90.885468 3.948840 BFGS: 75 15:42:56 -91.506134 3.912222 BFGS: 76 15:42:56 -92.159043 3.851535 BFGS: 77 15:42:56 -92.852366 3.802814 BFGS: 78 15:42:56 -93.589277 3.796267 BFGS: 79 15:42:57 -94.371471 3.790605 BFGS: 80 15:42:57 -95.192059 3.777903 BFGS: 81 15:42:57 -96.025985 3.743000 BFGS: 82 15:42:57 -96.846451 3.672156 BFGS: 83 15:42:57 -97.630991 3.651282 BFGS: 84 15:42:57 -98.419323 3.858497 BFGS: 85 15:42:57 -99.154192 3.625735 BFGS: 86 15:42:58 -99.887093 3.673392 BFGS: 87 15:42:58 -100.613314 3.627828 BFGS: 88 15:42:58 -101.301498 3.465062 BFGS: 89 15:42:58 -101.942101 3.419324 BFGS: 90 15:42:58 -102.524454 3.854744 BFGS: 91 15:42:58 -103.061052 3.924656 BFGS: 92 15:42:59 -103.586555 3.990422 BFGS: 93 15:42:59 -104.127742 4.119582 BFGS: 94 15:42:59 -105.396339 6.561422 BFGS: 95 15:42:59 -106.405069 4.392419 BFGS: 96 15:43:00 -106.991002 4.347698 BFGS: 97 15:43:00 -107.552136 4.436329 BFGS: 98 15:43:00 -108.108439 4.543567 BFGS: 99 15:43:00 -108.677629 4.647922 BFGS: 100 15:43:00 -109.267976 4.761886 BFGS: 101 15:43:01 -109.885954 4.869828 BFGS: 102 15:43:01 -110.536233 4.967254 BFGS: 103 15:43:01 -111.229195 5.050244 BFGS: 104 15:43:01 -112.015786 5.232282 BFGS: 105 15:43:01 -113.457854 6.019608 BFGS: 106 15:43:02 -115.495227 6.294170 BFGS: 107 15:43:02 -117.528113 6.498249 BFGS: 108 15:43:02 -119.582206 6.638083 BFGS: 109 15:43:02 -121.663200 6.689273 BFGS: 110 15:43:02 -123.728191 6.636187 BFGS: 111 15:43:02 -125.757649 6.441814 BFGS: 112 15:43:03 -127.707845 6.134103 BFGS: 113 15:43:03 -129.505676 5.815905 BFGS: 114 15:43:03 -131.194980 5.983178 BFGS: 115 15:43:03 -132.793817 6.139092 BFGS: 116 15:43:03 -134.344834 6.318698 BFGS: 117 15:43:04 -135.895179 6.518843 BFGS: 118 15:43:04 -137.480247 6.578684 BFGS: 119 15:43:04 -139.463847 8.549268 BFGS: 120 15:43:04 -141.353865 8.827343 BFGS: 121 15:43:04 -143.504789 8.701026 BFGS: 122 15:43:04 -145.651603 8.451060 BFGS: 123 15:43:05 -147.953359 8.089035 BFGS: 124 15:43:05 -150.456575 7.964869 BFGS: 125 15:43:05 -153.170165 8.028371 BFGS: 126 15:43:05 -155.751324 8.086167 BFGS: 127 15:43:05 -158.352654 8.107621 BFGS: 128 15:43:05 -160.868867 8.112334 BFGS: 129 15:43:05 -163.284756 8.108850 BFGS: 130 15:43:06 -165.583549 7.976030 BFGS: 131 15:43:06 -167.417423 7.453918 BFGS: 132 15:43:06 -168.961919 6.797372 BFGS: 133 15:43:06 -170.434131 6.060767 BFGS: 134 15:43:06 -171.861350 6.054923 BFGS: 135 15:43:06 -173.176687 7.841395 BFGS: 136 15:43:06 -174.292855 7.897432 BFGS: 137 15:43:06 -174.960473 7.280789 BFGS: 138 15:43:07 -175.526888 6.535025 BFGS: 139 15:43:07 -176.098485 4.682026 BFGS: 140 15:43:07 -176.717506 4.530881 BFGS: 141 15:43:07 -177.376381 4.802068 BFGS: 142 15:43:07 -178.071317 5.066590 BFGS: 143 15:43:07 -178.784315 5.300679 BFGS: 144 15:43:07 -179.506182 5.517803 BFGS: 145 15:43:07 -180.288106 5.713362 BFGS: 146 15:43:07 -181.108637 6.063142 BFGS: 147 15:43:07 -181.937187 6.946354 BFGS: 148 15:43:07 -182.764894 8.087643 BFGS: 149 15:43:08 -183.595490 9.650070 BFGS: 150 15:43:08 -184.144319 88.650438 BFGS: 151 15:43:08 -181.738200 1835.123385 BFGS: 152 15:43:08 -182.759683 853.614664 BFGS: 153 15:43:08 -183.342532 414.679178 BFGS: 154 15:43:08 -183.879284 389.612356 BFGS: 155 15:43:08 -184.405443 361.546537 BFGS: 156 15:43:08 -184.946748 341.899712 BFGS: 157 15:43:08 -185.606100 365.572704 BFGS: 158 15:43:08 -186.613269 537.134180 BFGS: 159 15:43:09 -187.290678 568.968709 BFGS: 160 15:43:09 -189.391781 843.484427 BFGS: 161 15:43:09 -187.836572 2701.961820 BFGS: 162 15:43:09 -186.595773 1262.430356 BFGS: 163 15:43:09 -187.712968 487.055184 BFGS: 164 15:43:09 -190.352295 2413.345128 BFGS: 165 15:43:10 -189.043372 3865.066511 BFGS: 166 15:43:10 -190.043182 2011.885149 BFGS: 167 15:43:10 -190.781677 1827.701277 BFGS: 168 15:43:10 -190.375150 3873.545489 BFGS: 169 15:43:10 -191.117411 723.408865 BFGS: 170 15:43:11 -191.314400 671.453574 BFGS: 171 15:43:11 -191.912954 450.079950 BFGS: 172 15:43:11 -192.441220 199.360025 BFGS: 173 15:43:11 -192.914293 53.666676 BFGS: 174 15:43:11 -193.439767 243.356654 BFGS: 175 15:43:11 -194.409728 315.424913 BFGS: 176 15:43:11 -194.971291 323.104961 BFGS: 177 15:43:11 -195.683407 302.283376 BFGS: 178 15:43:11 -196.523284 273.956581 BFGS: 179 15:43:11 -196.990343 257.760922 BFGS: 180 15:43:11 -197.431965 245.465520 BFGS: 181 15:43:11 -197.879308 234.963886 BFGS: 182 15:43:12 -198.348311 225.940759 BFGS: 183 15:43:12 -198.826885 218.027693 BFGS: 184 15:43:12 -199.309897 211.060180 BFGS: 185 15:43:12 -199.799855 204.860737 BFGS: 186 15:43:12 -200.301148 199.270966 BFGS: 187 15:43:12 -200.817977 194.171690 BFGS: 188 15:43:12 -201.354759 189.461993 BFGS: 189 15:43:12 -201.915368 185.073415 BFGS: 190 15:43:13 -202.502986 180.957508 BFGS: 191 15:43:13 -203.119304 177.088802 BFGS: 192 15:43:13 -203.759947 173.486822 BFGS: 193 15:43:13 -204.421816 170.165361 BFGS: 194 15:43:13 -205.102673 167.103472 BFGS: 195 15:43:13 -205.801668 164.305590 BFGS: 196 15:43:13 -206.519433 161.741936 BFGS: 197 15:43:13 -207.256282 159.393418 BFGS: 198 15:43:13 -208.012377 157.241643 BFGS: 199 15:43:13 -208.787750 155.272300 BFGS: 200 15:43:14 -209.597871 153.471733 BFGS: 201 15:43:14 -210.603160 151.790213 BFGS: 202 15:43:14 -212.141482 148.731411 BFGS: 203 15:43:14 -213.256209 145.547941 BFGS: 204 15:43:14 -214.248495 142.860196 BFGS: 205 15:43:14 -215.098090 139.690280 BFGS: 206 15:43:14 -216.904991 137.425196 BFGS: 207 15:43:15 -218.706040 133.953503 BFGS: 208 15:43:15 -220.457826 130.532258 BFGS: 209 15:43:15 -222.449766 127.760032 BFGS: 210 15:43:15 -224.759865 125.278548 BFGS: 211 15:43:15 -226.818401 122.385853 BFGS: 212 15:43:15 -228.949567 119.776557 BFGS: 213 15:43:15 -231.188892 117.235379 BFGS: 214 15:43:16 -233.547921 114.713040 BFGS: 215 15:43:16 -236.020947 112.310536 BFGS: 216 15:43:16 -238.774246 110.835334 BFGS: 217 15:43:16 -241.232567 107.170678 BFGS: 218 15:43:16 -243.929011 104.532630 BFGS: 219 15:43:16 -246.075886 101.007234 BFGS: 220 15:43:16 -249.878891 102.848879 BFGS: 221 15:43:16 -253.498171 102.865286 BFGS: 222 15:43:16 -257.105641 102.627845 BFGS: 223 15:43:16 -260.414280 102.341382 BFGS: 224 15:43:16 -263.750266 102.088346 BFGS: 225 15:43:17 -267.112107 101.891069 BFGS: 226 15:43:17 -270.565071 101.446840 BFGS: 227 15:43:17 -273.975961 100.741416 BFGS: 228 15:43:17 -277.274248 99.792176 BFGS: 229 15:43:17 -280.631135 99.015186 BFGS: 230 15:43:17 -283.922220 98.234560 BFGS: 231 15:43:17 -287.320543 97.414642 BFGS: 232 15:43:17 -290.652193 96.602643 BFGS: 233 15:43:17 -293.863274 95.744756 BFGS: 234 15:43:17 -296.828774 94.822425 BFGS: 235 15:43:17 -299.230297 94.219202 BFGS: 236 15:43:17 -301.596248 94.119370 BFGS: 237 15:43:18 -303.352540 94.151336 BFGS: 238 15:43:18 -304.884168 94.394903 BFGS: 239 15:43:18 -305.991090 94.465361 BFGS: 240 15:43:18 -306.403842 94.447836 BFGS: 241 15:43:18 -307.351974 94.785950 BFGS: 242 15:43:18 -308.131392 95.200167 BFGS: 243 15:43:18 -309.154792 96.513636 BFGS: 244 15:43:18 -310.336819 98.201439 BFGS: 245 15:43:18 -311.542193 99.840903 BFGS: 246 15:43:19 -312.661180 101.411863 BFGS: 247 15:43:19 -313.502211 102.790357 BFGS: 248 15:43:19 -314.357408 103.533731 BFGS: 249 15:43:19 -315.183708 104.137498 BFGS: 250 15:43:20 -315.830563 104.662026 BFGS: 251 15:43:20 -316.264324 105.144307 BFGS: 252 15:43:20 -316.574815 105.476408 BFGS: 253 15:43:20 -316.814364 105.979456 BFGS: 254 15:43:20 -317.227650 106.785864 BFGS: 255 15:43:20 -317.940171 108.051417 BFGS: 256 15:43:20 -318.443649 109.129957 BFGS: 257 15:43:21 -318.810755 109.883735 BFGS: 258 15:43:21 -319.052319 110.338273 BFGS: 259 15:43:21 -318.996204 109.831009 BFGS: 260 15:43:21 -319.263499 108.880317 BFGS: 261 15:43:21 -319.475699 109.867222 BFGS: 262 15:43:21 -318.565890 112.346374 BFGS: 263 15:43:21 -319.695250 110.892764 BFGS: 264 15:43:21 -319.743031 111.647125 BFGS: 265 15:43:21 -319.844125 113.929159 BFGS: 266 15:43:21 -319.991538 115.169999 BFGS: 267 15:43:22 -320.235811 116.609966 BFGS: 268 15:43:22 -316.130306 313.268799 BFGS: 269 15:43:22 -317.212722 112.876575 BFGS: 270 15:43:22 -319.413950 111.775546 BFGS: 271 15:43:22 -317.640819 102.826255 BFGS: 272 15:43:22 -311.920116 95.670495 BFGS: 273 15:43:22 -316.405158 210.392435 BFGS: 274 15:43:22 -319.099479 92.943534 BFGS: 275 15:43:22 -319.746031 91.743168 BFGS: 276 15:43:23 -320.020778 90.862727 BFGS: 277 15:43:23 -320.197795 89.947463 BFGS: 278 15:43:23 -320.246536 89.982394 BFGS: 279 15:43:23 -320.355376 90.968154 BFGS: 280 15:43:23 -320.442282 92.915268 BFGS: 281 15:43:23 -320.497194 94.474264 BFGS: 282 15:43:23 -320.428307 95.103010 BFGS: 283 15:43:23 -320.490227 95.730556 BFGS: 284 15:43:23 -320.565266 96.229651 BFGS: 285 15:43:24 -320.565400 95.966219 BFGS: 286 15:43:24 -320.582765 96.095117 BFGS: 287 15:43:24 -320.647150 97.306804 BFGS: 288 15:43:24 -320.030152 101.502226 BFGS: 289 15:43:24 -320.572420 98.609296 BFGS: 290 15:43:24 -320.239890 95.854194 BFGS: 291 15:43:25 -320.568705 97.789274 BFGS: 292 15:43:25 -320.634328 98.506029 BFGS: 293 15:43:25 -320.631359 100.747194 BFGS: 294 15:43:25 -320.715829 99.377842 BFGS: 295 15:43:25 -320.533080 97.762790 BFGS: 296 15:43:25 -320.624790 98.895811 BFGS: 297 15:43:25 -320.478712 105.125899 BFGS: 298 15:43:26 -320.734329 102.124434 BFGS: 299 15:43:26 -320.541636 106.551066 BFGS: 300 15:43:26 -320.685587 105.282461 BFGS: 301 15:43:26 -320.706756 104.615340 BFGS: 302 15:43:26 -320.475666 104.092721 BFGS: 303 15:43:26 -320.680147 104.717226 BFGS: 304 15:43:26 -319.892198 109.378419 BFGS: 305 15:43:26 -320.794486 106.885624 BFGS: 306 15:43:26 -320.845213 107.208388 BFGS: 307 15:43:26 -318.858271 111.521759 BFGS: 308 15:43:27 -320.946248 108.662760 BFGS: 309 15:43:27 -320.891249 109.228767 BFGS: 310 15:43:27 -320.904370 109.966427 BFGS: 311 15:43:27 -320.976910 111.676041 BFGS: 312 15:43:27 -321.065653 114.651822 BFGS: 313 15:43:27 -321.012310 153.155161 BFGS: 314 15:43:27 -321.285361 128.811622 BFGS: 315 15:43:27 -321.331205 131.623834 BFGS: 316 15:43:27 -318.745172 292.513905 BFGS: 317 15:43:28 -321.337119 127.169751 BFGS: 318 15:43:28 -321.414005 130.511991 BFGS: 319 15:43:28 -321.575671 159.589094 BFGS: 320 15:43:28 -321.583252 147.754205 BFGS: 321 15:43:28 -321.633809 150.499679 BFGS: 322 15:43:28 -321.681210 186.152920 BFGS: 323 15:43:28 -321.936558 164.496117 BFGS: 324 15:43:28 -321.936921 172.315044 BFGS: 325 15:43:28 -315.822479 199.421410 BFGS: 326 15:43:28 -322.158607 199.178648 BFGS: 327 15:43:29 -321.184731 126.202650 BFGS: 328 15:43:29 -321.847325 150.312233 BFGS: 329 15:43:29 -314.702172 606.371588 BFGS: 330 15:43:29 -320.085783 248.405113 BFGS: 331 15:43:29 -318.852950 78.872014 BFGS: 332 15:43:29 -319.903066 88.895406 BFGS: 333 15:43:29 -321.251173 176.907089 BFGS: 334 15:43:29 -321.403104 118.745531 BFGS: 335 15:43:29 -321.773812 136.806063 BFGS: 336 15:43:29 -316.511346 348.149435 BFGS: 337 15:43:29 -321.949104 156.687435 BFGS: 338 15:43:29 -322.070922 151.992989 BFGS: 339 15:43:30 -319.411091 116.380343 BFGS: 340 15:43:30 -322.008310 143.820641 BFGS: 341 15:43:30 -321.997835 149.451149 BFGS: 342 15:43:30 -322.063584 145.242072 BFGS: 343 15:43:30 -322.053987 146.720361 BFGS: 344 15:43:30 -322.100792 146.328109 BFGS: 345 15:43:30 -322.103225 145.461308 BFGS: 346 15:43:30 -321.918850 125.971519 BFGS: 347 15:43:30 -322.170526 135.688257 BFGS: 348 15:43:31 -321.928342 142.903661 BFGS: 349 15:43:31 -322.065674 140.047595 BFGS: 350 15:43:31 -322.028494 125.724792 BFGS: 351 15:43:31 -322.223583 131.138740 BFGS: 352 15:43:31 -322.232643 131.890114 BFGS: 353 15:43:31 -322.187413 133.607436 BFGS: 354 15:43:32 -322.237730 131.914229 BFGS: 355 15:43:32 -322.247429 100.931107 BFGS: 356 15:43:32 -322.388786 111.659597 BFGS: 357 15:43:32 -322.348420 101.790723 BFGS: 358 15:43:32 -322.399821 99.166250 BFGS: 359 15:43:32 -322.048607 52.762994 BFGS: 360 15:43:32 -322.577401 60.863897 BFGS: 361 15:43:32 -322.572893 76.100616 BFGS: 362 15:43:32 -322.611634 61.671864 BFGS: 363 15:43:32 -322.585596 39.426663 BFGS: 364 15:43:32 -322.643608 44.445429 BFGS: 365 15:43:32 -322.654651 46.528935 BFGS: 366 15:43:32 -322.658504 41.511394 BFGS: 367 15:43:33 -322.679002 38.361589 BFGS: 368 15:43:33 -322.229476 60.317637 BFGS: 369 15:43:33 -322.686149 26.854171 BFGS: 370 15:43:33 -322.732157 26.467743 BFGS: 371 15:43:33 -322.751742 24.804692 BFGS: 372 15:43:33 -322.750780 114.814855 BFGS: 373 15:43:33 -322.493809 133.749024 BFGS: 374 15:43:34 -322.702130 43.036016 BFGS: 375 15:43:34 -322.751773 81.693950 BFGS: 376 15:43:34 -314.695517 34.377554 BFGS: 377 15:43:34 -318.792574 167.887003 BFGS: 378 15:43:34 -316.257424 500.531554 BFGS: 379 15:43:34 -321.545735 177.780071 BFGS: 380 15:43:34 -322.297825 130.264234 BFGS: 381 15:43:34 -322.723822 50.923750 BFGS: 382 15:43:34 -322.590136 69.554019 BFGS: 383 15:43:34 -322.696919 20.824435 BFGS: 384 15:43:34 -322.713208 75.431999 BFGS: 385 15:43:35 -322.737323 19.821766 BFGS: 386 15:43:35 -322.752070 20.025406 BFGS: 387 15:43:35 -322.756607 41.413206 BFGS: 388 15:43:35 -322.764245 23.112436 BFGS: 389 15:43:35 -322.771694 16.357374 BFGS: 390 15:43:35 -322.792944 22.881688 BFGS: 391 15:43:36 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-324.774326 13.701625 BFGS: 1752 15:45:57 -324.783137 13.672632 BFGS: 1753 15:45:57 -324.784827 13.679296 BFGS: 1754 15:45:57 -324.771825 13.694930 BFGS: 1755 15:45:57 -324.782600 13.681937 BFGS: 1756 15:45:57 -324.754444 13.656602 BFGS: 1757 15:45:57 -324.777968 13.658309 BFGS: 1758 15:45:57 -324.774324 13.701798 BFGS: 1759 15:45:57 -324.783167 13.672825 BFGS: 1760 15:45:58 -324.784858 13.679506 BFGS: 1761 15:45:58 -324.771806 13.695230 BFGS: 1762 15:45:58 -324.782597 13.682164 BFGS: 1763 15:45:58 -324.754468 13.656578 BFGS: 1764 15:45:58 -324.777997 13.658486 BFGS: 1765 15:45:58 -324.774322 13.701972 BFGS: 1766 15:45:58 -324.783197 13.673018 BFGS: 1767 15:45:59 -324.784888 13.679715 BFGS: 1768 15:45:59 -324.771786 13.695529 BFGS: 1769 15:45:59 -324.782594 13.682390 BFGS: 1770 15:45:59 -324.754491 13.656558 BFGS: 1771 15:45:59 -324.778027 13.658663 BFGS: 1772 15:45:59 -324.774321 13.702145 BFGS: 1773 15:45:59 -324.783227 13.673209 BFGS: 1774 15:45:59 -324.784918 13.679922 BFGS: 1775 15:46:00 -324.771765 13.695828 BFGS: 1776 15:46:00 -324.782591 13.682616 BFGS: 1777 15:46:00 -324.754515 13.656539 BFGS: 1778 15:46:00 -324.778056 13.658840 BFGS: 1779 15:46:00 -324.774319 13.702317 BFGS: 1780 15:46:00 -324.783256 13.673401 BFGS: 1781 15:46:00 -324.784948 13.680130 BFGS: 1782 15:46:00 -324.771743 13.696125 BFGS: 1783 15:46:00 -324.782587 13.682840 BFGS: 1784 15:46:00 -324.754539 13.656523 BFGS: 1785 15:46:00 -324.778085 13.659016 BFGS: 1786 15:46:00 -324.774316 13.702490 BFGS: 1787 15:46:00 -324.783286 13.673591 BFGS: 1788 15:46:00 -324.784978 13.680336 BFGS: 1789 15:46:00 -324.771720 13.696422 BFGS: 1790 15:46:01 -324.782583 13.683064 BFGS: 1791 15:46:01 -324.754562 13.656510 BFGS: 1792 15:46:01 -324.778115 13.659192 BFGS: 1793 15:46:01 -324.774314 13.702662 BFGS: 1794 15:46:01 -324.783316 13.673781 BFGS: 1795 15:46:01 -324.785008 13.680541 BFGS: 1796 15:46:01 -324.771695 13.696719 BFGS: 1797 15:46:01 -324.782579 13.683287 BFGS: 1798 15:46:01 -324.754586 13.656499 BFGS: 1799 15:46:02 -324.778144 13.659368 BFGS: 1800 15:46:02 -324.774312 13.702833 BFGS: 1801 15:46:02 -324.783346 13.673971 BFGS: 1802 15:46:03 -324.785038 13.680746 BFGS: 1803 15:46:03 -324.771670 13.697014 BFGS: 1804 15:46:03 -324.782574 13.683509 BFGS: 1805 15:46:03 -324.754609 13.656490 BFGS: 1806 15:46:03 -324.778173 13.659543 BFGS: 1807 15:46:03 -324.774310 13.703005 BFGS: 1808 15:46:03 -324.783375 13.674160 BFGS: 1809 15:46:03 -324.785068 13.680950 BFGS: 1810 15:46:04 -324.771643 13.697309 BFGS: 1811 15:46:04 -324.782569 13.683730 BFGS: 1812 15:46:04 -324.754633 13.656484 BFGS: 1813 15:46:04 -324.778203 13.659718 BFGS: 1814 15:46:04 -324.774307 13.703176 BFGS: 1815 15:46:04 -324.783405 13.674348 BFGS: 1816 15:46:04 -324.785098 13.681153 BFGS: 1817 15:46:04 -324.771616 13.697602 BFGS: 1818 15:46:04 -324.782564 13.683950 BFGS: 1819 15:46:04 -324.754656 13.656481 BFGS: 1820 15:46:04 -324.778232 13.659893 BFGS: 1821 15:46:04 -324.774305 13.703346 BFGS: 1822 15:46:05 -324.783434 13.674536 BFGS: 1823 15:46:05 -324.785127 13.681356 BFGS: 1824 15:46:05 -324.771587 13.697894 BFGS: 1825 15:46:05 -324.782559 13.684170 BFGS: 1826 15:46:05 -324.754679 13.656480 BFGS: 1827 15:46:05 -324.778261 13.660067 BFGS: 1828 15:46:05 -324.774302 13.703516 BFGS: 1829 15:46:05 -324.783463 13.674723 BFGS: 1830 15:46:05 -324.785157 13.681557 BFGS: 1831 15:46:05 -324.771558 13.698186 BFGS: 1832 15:46:05 -324.782553 13.684388 BFGS: 1833 15:46:05 -324.754702 13.656482 BFGS: 1834 15:46:06 -324.778290 13.660241 BFGS: 1835 15:46:06 -324.774299 13.703685 BFGS: 1836 15:46:06 -324.783493 13.674910 BFGS: 1837 15:46:06 -324.785186 13.681758 BFGS: 1838 15:46:06 -324.771527 13.698476 BFGS: 1839 15:46:06 -324.782547 13.684606 BFGS: 1840 15:46:06 -324.754725 13.656487 BFGS: 1841 15:46:06 -324.778320 13.660414 BFGS: 1842 15:46:06 -324.774296 13.703854 BFGS: 1843 15:46:06 -324.783522 13.675096 BFGS: 1844 15:46:06 -324.785216 13.681958 BFGS: 1845 15:46:06 -324.784155 13.679246 BFGS: 1846 15:46:07 -324.784521 13.680777 BFGS: 1847 15:46:07 -324.771099 13.700862 BFGS: 1848 15:46:07 -324.783514 13.684036 BFGS: 1849 15:46:07 -324.754950 13.655448 BFGS: 1850 15:46:07 -324.778143 13.660482 BFGS: 1851 15:46:07 -324.774245 13.704888 BFGS: 1852 15:46:07 -324.783530 13.675322 BFGS: 1853 15:46:07 -324.785209 13.682333 BFGS: 1854 15:46:07 -324.784202 13.679666 BFGS: 1855 15:46:07 -324.784580 13.681256 BFGS: 1856 15:46:07 -324.771031 13.701431 BFGS: 1857 15:46:07 -324.783460 13.684464 BFGS: 1858 15:46:07 -324.755015 13.655324 BFGS: 1859 15:46:07 -324.778207 13.660711 BFGS: 1860 15:46:07 -324.774162 13.705320 BFGS: 1861 15:46:08 -324.783601 13.675634 BFGS: 1862 15:46:08 -324.785139 13.682692 BFGS: 1863 15:46:08 -324.784253 13.679816 BFGS: 1864 15:46:08 -324.784628 13.681382 BFGS: 1865 15:46:08 -324.770936 13.701992 BFGS: 1866 15:46:08 -324.783415 13.684781 BFGS: 1867 15:46:08 -324.755067 13.655048 BFGS: 1868 15:46:08 -324.778268 13.660895 BFGS: 1869 15:46:08 -324.774081 13.705810 BFGS: 1870 15:46:09 -324.783672 13.675948 BFGS: 1871 15:46:09 -324.785064 13.683070 BFGS: 1872 15:46:09 -324.784325 13.680164 BFGS: 1873 15:46:09 -324.784700 13.681752 BFGS: 1874 15:46:09 -324.770854 13.702640 BFGS: 1875 15:46:09 -324.783340 13.685201 BFGS: 1876 15:46:09 -324.755120 13.654797 BFGS: 1877 15:46:09 -324.778336 13.661109 BFGS: 1878 15:46:09 -324.773999 13.706278 BFGS: 1879 15:46:09 -324.783744 13.676267 BFGS: 1880 15:46:10 -324.784989 13.683440 BFGS: 1881 15:46:10 -324.784397 13.680494 BFGS: 1882 15:46:10 -324.784773 13.682095 BFGS: 1883 15:46:10 -324.770776 13.703206 BFGS: 1884 15:46:10 -324.783265 13.685599 BFGS: 1885 15:46:10 -324.755172 13.654616 BFGS: 1886 15:46:10 -324.778404 13.661331 BFGS: 1887 15:46:10 -324.773919 13.706716 BFGS: 1888 15:46:10 -324.783815 13.676583 BFGS: 1889 15:46:10 -324.784915 13.683803 BFGS: 1890 15:46:10 -324.784468 13.680818 BFGS: 1891 15:46:10 -324.784844 13.682432 BFGS: 1892 15:46:10 -324.770702 13.703748 BFGS: 1893 15:46:10 -324.783191 13.685988 BFGS: 1894 15:46:10 -324.755223 13.654462 BFGS: 1895 15:46:10 -324.778470 13.661559 BFGS: 1896 15:46:11 -324.773840 13.707140 BFGS: 1897 15:46:11 -324.783884 13.676896 BFGS: 1898 15:46:11 -324.784843 13.684160 BFGS: 1899 15:46:11 -324.784538 13.681139 BFGS: 1900 15:46:11 -324.784914 13.682764 BFGS: 1901 15:46:11 -324.770632 13.704269 BFGS: 1902 15:46:11 -324.783120 13.686369 BFGS: 1903 15:46:11 -324.755274 13.654329 BFGS: 1904 15:46:11 -324.778535 13.661791 BFGS: 1905 15:46:11 -324.773762 13.707552 BFGS: 1906 15:46:11 -324.783953 13.677208 BFGS: 1907 15:46:11 -324.784772 13.684511 BFGS: 1908 15:46:11 -324.784607 13.681456 BFGS: 1909 15:46:11 -324.784983 13.683092 BFGS: 1910 15:46:11 -324.770566 13.704772 BFGS: 1911 15:46:11 -324.783050 13.686743 BFGS: 1912 15:46:11 -324.755325 13.654216 BFGS: 1913 15:46:11 -324.778599 13.662028 BFGS: 1914 15:46:12 -324.773685 13.707952 BFGS: 1915 15:46:12 -324.784020 13.677517 BFGS: 1916 15:46:12 -324.784702 13.684857 BFGS: 1917 15:46:12 -324.784675 13.681770 BFGS: 1918 15:46:12 -324.785051 13.683416 BFGS: 1919 15:46:12 -324.770503 13.705257 BFGS: 1920 15:46:12 -324.782982 13.687110 BFGS: 1921 15:46:12 -324.755375 13.654119 BFGS: 1922 15:46:12 -324.778662 13.662268 BFGS: 1923 15:46:12 -324.773610 13.708342 BFGS: 1924 15:46:12 -324.784086 13.677824 BFGS: 1925 15:46:12 -324.784633 13.685198 BFGS: 1926 15:46:12 -324.784741 13.682081 BFGS: 1927 15:46:12 -324.785118 13.683736 BFGS: 1928 15:46:13 -324.770445 13.705727 BFGS: 1929 15:46:13 -324.782916 13.687471 BFGS: 1930 15:46:13 -324.755425 13.654038 BFGS: 1931 15:46:13 -324.778724 13.662511 BFGS: 1932 15:46:13 -324.773535 13.708722 BFGS: 1933 15:46:13 -324.784152 13.678129 BFGS: 1934 15:46:13 -324.784565 13.685535 BFGS: 1935 15:46:13 -324.784807 13.682389 BFGS: 1936 15:46:13 -324.785184 13.684053 BFGS: 1937 15:46:13 -324.770392 13.706181 BFGS: 1938 15:46:13 -324.782851 13.687826 BFGS: 1939 15:46:14 -324.755475 13.653968 BFGS: 1940 15:46:14 -324.778785 13.662758 BFGS: 1941 15:46:14 -324.773462 13.709094 BFGS: 1942 15:46:14 -324.784216 13.678432 BFGS: 1943 15:46:14 -324.784499 13.685866 BFGS: 1944 15:46:14 -324.784872 13.682694 BFGS: 1945 15:46:14 -324.785249 13.684366 BFGS: 1946 15:46:14 -324.770343 13.706620 BFGS: 1947 15:46:14 -324.782787 13.688174 BFGS: 1948 15:46:14 -324.755526 13.653909 BFGS: 1949 15:46:14 -324.778845 13.663006 BFGS: 1950 15:46:14 -324.773390 13.709459 BFGS: 1951 15:46:14 -324.784279 13.678733 BFGS: 1952 15:46:14 -324.784433 13.686193 BFGS: 1953 15:46:14 -324.784936 13.682996 BFGS: 1954 15:46:14 -324.785313 13.684675 BFGS: 1955 15:46:14 -324.770299 13.707046 BFGS: 1956 15:46:15 -324.782726 13.688517 BFGS: 1957 15:46:15 -324.755576 13.653856 BFGS: 1958 15:46:15 -324.778904 13.663257 BFGS: 1959 15:46:15 -324.773318 13.709817 BFGS: 1960 15:46:15 -324.784342 13.679032 BFGS: 1961 15:46:15 -324.784369 13.686516 BFGS: 1962 15:46:15 -324.784999 13.683295 BFGS: 1963 15:46:15 -324.785376 13.684980 BFGS: 1964 15:46:15 -324.770262 13.707460 BFGS: 1965 15:46:15 -324.782666 13.688855 BFGS: 1966 15:46:15 -324.755627 13.653806 BFGS: 1967 15:46:16 -324.778962 13.663508 BFGS: 1968 15:46:16 -324.773247 13.710170 BFGS: 1969 15:46:16 -324.784404 13.679329 BFGS: 1970 15:46:16 -324.784305 13.686834 BFGS: 1971 15:46:16 -324.785061 13.683591 BFGS: 1972 15:46:16 -324.785438 13.685282 BFGS: 1973 15:46:16 -324.770234 13.707862 BFGS: 1974 15:46:16 -324.782608 13.689189 BFGS: 1975 15:46:16 -324.755679 13.653752 BFGS: 1976 15:46:17 -324.779019 13.663760 BFGS: 1977 15:46:17 -324.773177 13.710521 BFGS: 1978 15:46:17 -324.784465 13.679624 BFGS: 1979 15:46:17 -324.784242 13.687149 BFGS: 1980 15:46:17 -324.785122 13.683885 BFGS: 1981 15:46:18 -324.785500 13.685581 BFGS: 1982 15:46:18 -324.770217 13.708253 BFGS: 1983 15:46:18 -324.782553 13.689518 BFGS: 1984 15:46:18 -324.755733 13.653684 BFGS: 1985 15:46:18 -324.779075 13.664011 BFGS: 1986 15:46:18 -324.773107 13.710873 BFGS: 1987 15:46:19 -324.784525 13.679917 BFGS: 1988 15:46:19 -324.784180 13.687461 BFGS: 1989 15:46:19 -324.785182 13.684176 BFGS: 1990 15:46:19 -324.785560 13.685876 BFGS: 1991 15:46:19 -324.770221 13.708633 BFGS: 1992 15:46:19 -324.782502 13.689843 BFGS: 1993 15:46:19 -324.755790 13.653581 BFGS: 1994 15:46:19 -324.779130 13.664259 BFGS: 1995 15:46:19 -324.773038 13.711235 BFGS: 1996 15:46:19 -324.784584 13.680210 BFGS: 1997 15:46:20 -324.784119 13.687770 BFGS: 1998 15:46:20 -324.785242 13.684464 BFGS: 1999 15:46:20 -324.785620 13.686167 BFGS: 2000 15:46:20 -324.770278 13.708993 BFGS: 2001 15:46:20 -324.782460 13.690168 BFGS: 2002 15:46:20 -324.755856 13.653376 BFGS: 2003 15:46:20 -324.779182 13.664498 BFGS: 2004 15:46:21 -324.772968 13.711629 BFGS: 2005 15:46:21 -324.784642 13.680503 BFGS: 2006 15:46:21 -324.784059 13.688080 BFGS: 2007 15:46:21 -324.785301 13.684750 BFGS: 2008 15:46:21 -324.785679 13.686455 BFGS: 2009 15:46:21 -324.770740 13.709141 BFGS: 2010 15:46:21 -324.782483 13.690497 BFGS: 2011 15:46:21 -324.755987 13.652507 BFGS: 2012 15:46:21 -324.779223 13.664671 BFGS: 2013 15:46:22 -324.772895 13.712260 BFGS: 2014 15:46:22 -324.784697 13.680807 BFGS: 2015 15:46:22 -324.784001 13.688412 BFGS: 2016 15:46:22 -324.785357 13.685038 BFGS: 2017 15:46:22 -324.785669 13.686739 BFGS: 2018 15:46:22 -324.785491 13.686151 BFGS: 2019 15:46:22 -324.785575 13.686595 BFGS: 2020 15:46:22 -324.769440 13.712450 BFGS: 2021 15:46:22 -324.782384 13.690993 BFGS: 2022 15:46:22 -324.756048 13.652539 BFGS: 2023 15:46:23 -324.779344 13.665163 BFGS: 2024 15:46:23 -324.772547 13.713210 BFGS: 2025 15:46:23 -324.784883 13.681466 BFGS: 2026 15:46:23 -324.783680 13.689163 BFGS: 2027 15:46:23 -324.785550 13.685725 BFGS: 2028 15:46:23 -324.785353 13.687455 BFGS: 2029 15:46:23 -324.785685 13.686876 BFGS: 2030 15:46:23 -324.785699 13.687339 BFGS: 2031 15:46:23 -324.785717 13.687278 BFGS: 2032 15:46:23 -324.785737 13.687401 BFGS: 2033 15:46:23 -324.766910 13.721514 BFGS: 2034 15:46:24 -324.781493 13.693222 BFGS: 2035 15:46:24 -324.756601 13.651278 BFGS: 2036 15:46:24 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15:46:26 -324.779162 13.666514 BFGS: 2061 15:46:26 -324.771054 13.719544 BFGS: 2062 15:46:26 -324.785494 13.684080 BFGS: 2063 15:46:27 -324.782509 13.692402 BFGS: 2064 15:46:27 -324.785039 13.688295 BFGS: 2065 15:46:27 -324.759051 13.649376 BFGS: 2066 15:46:27 -324.779163 13.666700 BFGS: 2067 15:46:27 -324.771081 13.719431 BFGS: 2068 15:46:27 -324.785495 13.684154 BFGS: 2069 15:46:27 -324.782535 13.692429 BFGS: 2070 15:46:27 -324.785065 13.688349 BFGS: 2071 15:46:28 -324.759055 13.649735 BFGS: 2072 15:46:28 -324.779164 13.666884 BFGS: 2073 15:46:28 -324.771107 13.719321 BFGS: 2074 15:46:28 -324.785496 13.684228 BFGS: 2075 15:46:28 -324.782561 13.692457 BFGS: 2076 15:46:28 -324.785091 13.688404 BFGS: 2077 15:46:28 -324.759059 13.650084 BFGS: 2078 15:46:28 -324.779165 13.667063 BFGS: 2079 15:46:28 -324.771133 13.719217 BFGS: 2080 15:46:28 -324.785497 13.684302 BFGS: 2081 15:46:28 -324.782587 13.692486 BFGS: 2082 15:46:28 -324.785117 13.688460 BFGS: 2083 15:46:28 -324.759063 13.650424 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15:49:30 -324.784091 13.701343 BFGS: 3771 15:49:30 -324.766755 13.676669 BFGS: 3772 15:49:30 -324.783567 13.689631 BFGS: 3773 15:49:30 -324.766792 13.726149 BFGS: 3774 15:49:31 -324.784094 13.701370 BFGS: 3775 15:49:31 -324.766764 13.676634 BFGS: 3776 15:49:31 -324.783571 13.689638 BFGS: 3777 15:49:31 -324.766799 13.726201 BFGS: 3778 15:49:31 -324.784097 13.701397 BFGS: 3779 15:49:31 -324.766772 13.676598 BFGS: 3780 15:49:31 -324.783575 13.689644 BFGS: 3781 15:49:31 -324.766807 13.726253 BFGS: 3782 15:49:31 -324.784100 13.701424 BFGS: 3783 15:49:31 -324.766781 13.676563 BFGS: 3784 15:49:32 -324.783578 13.689650 BFGS: 3785 15:49:32 -324.766814 13.726305 BFGS: 3786 15:49:32 -324.784103 13.701450 BFGS: 3787 15:49:32 -324.766789 13.676527 BFGS: 3788 15:49:32 -324.783582 13.689656 BFGS: 3789 15:49:32 -324.766821 13.726356 BFGS: 3790 15:49:32 -324.784107 13.701477 BFGS: 3791 15:49:32 -324.766798 13.676492 BFGS: 3792 15:49:32 -324.783586 13.689663 BFGS: 3793 15:49:33 -324.766828 13.726407 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-324.783716 13.689902 BFGS: 3937 15:49:46 -324.767074 13.728140 BFGS: 3938 15:49:47 -324.784220 13.702420 BFGS: 3939 15:49:47 -324.767096 13.675319 BFGS: 3940 15:49:47 -324.783720 13.689909 BFGS: 3941 15:49:47 -324.767081 13.728186 BFGS: 3942 15:49:47 -324.784223 13.702445 BFGS: 3943 15:49:47 -324.767104 13.675291 BFGS: 3944 15:49:47 -324.783723 13.689916 BFGS: 3945 15:49:47 -324.767087 13.728231 BFGS: 3946 15:49:47 -324.784226 13.702469 BFGS: 3947 15:49:47 -324.767111 13.675262 BFGS: 3948 15:49:47 -324.783727 13.689923 BFGS: 3949 15:49:48 -324.767094 13.728276 BFGS: 3950 15:49:48 -324.784229 13.702493 BFGS: 3951 15:49:48 -324.767119 13.675234 BFGS: 3952 15:49:48 -324.783730 13.689930 BFGS: 3953 15:49:48 -324.767101 13.728321 BFGS: 3954 15:49:48 -324.784232 13.702518 BFGS: 3955 15:49:48 -324.767127 13.675206 BFGS: 3956 15:49:48 -324.783734 13.689937 BFGS: 3957 15:49:48 -324.767107 13.728365 BFGS: 3958 15:49:48 -324.784235 13.702542 BFGS: 3959 15:49:48 -324.767134 13.675178 BFGS: 3960 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-324.767268 13.674702 BFGS: 4032 15:49:54 -324.783800 13.690075 BFGS: 4033 15:49:54 -324.767229 13.729186 BFGS: 4034 15:49:54 -324.784291 13.702991 BFGS: 4035 15:49:54 -324.767275 13.674677 BFGS: 4036 15:49:54 -324.783803 13.690082 BFGS: 4037 15:49:54 -324.767235 13.729228 BFGS: 4038 15:49:54 -324.784294 13.703014 BFGS: 4039 15:49:54 -324.767283 13.674652 BFGS: 4040 15:49:54 -324.783807 13.690090 BFGS: 4041 15:49:55 -324.767241 13.729269 BFGS: 4042 15:49:55 -324.784297 13.703037 BFGS: 4043 15:49:55 -324.767290 13.674628 BFGS: 4044 15:49:55 -324.783810 13.690097 BFGS: 4045 15:49:55 -324.767247 13.729311 BFGS: 4046 15:49:55 -324.784300 13.703060 BFGS: 4047 15:49:55 -324.767297 13.674603 BFGS: 4048 15:49:55 -324.783814 13.690105 BFGS: 4049 15:49:55 -324.767254 13.729352 BFGS: 4050 15:49:55 -324.784303 13.703083 BFGS: 4051 15:49:55 -324.767304 13.674578 BFGS: 4052 15:49:55 -324.783817 13.690112 BFGS: 4053 15:49:55 -324.767260 13.729394 BFGS: 4054 15:49:55 -324.784306 13.703106 BFGS: 4055 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15:51:38 -324.784615 13.692392 BFGS: 5101 15:51:38 -324.768505 13.736646 BFGS: 5102 15:51:38 -324.785022 13.707783 BFGS: 5103 15:51:38 -324.768698 13.671647 BFGS: 5104 15:51:38 -324.784618 13.692402 BFGS: 5105 15:51:38 -324.768509 13.736664 BFGS: 5106 15:51:38 -324.785025 13.707797 BFGS: 5107 15:51:39 -324.768702 13.671646 BFGS: 5108 15:51:39 -324.784621 13.692411 BFGS: 5109 15:51:39 -324.768513 13.736682 BFGS: 5110 15:51:39 -324.785028 13.707811 BFGS: 5111 15:51:39 -324.768706 13.671644 BFGS: 5112 15:51:39 -324.784624 13.692421 BFGS: 5113 15:51:39 -324.768516 13.736699 BFGS: 5114 15:51:39 -324.785030 13.707825 BFGS: 5115 15:51:39 -324.768710 13.671642 BFGS: 5116 15:51:39 -324.784626 13.692430 BFGS: 5117 15:51:39 -324.768520 13.736717 BFGS: 5118 15:51:39 -324.785033 13.707839 BFGS: 5119 15:51:39 -324.768714 13.671641 BFGS: 5120 15:51:39 -324.784629 13.692440 BFGS: 5121 15:51:40 -324.768524 13.736734 BFGS: 5122 15:51:40 -324.785035 13.707853 BFGS: 5123 15:51:40 -324.768718 13.671639 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13.671631 BFGS: 5148 15:51:42 -324.784648 13.692506 BFGS: 5149 15:51:42 -324.768549 13.736854 BFGS: 5150 15:51:42 -324.785053 13.707950 BFGS: 5151 15:51:42 -324.768745 13.671630 BFGS: 5152 15:51:42 -324.784651 13.692515 BFGS: 5153 15:51:42 -324.768552 13.736871 BFGS: 5154 15:51:42 -324.785056 13.707964 BFGS: 5155 15:51:42 -324.768749 13.671628 BFGS: 5156 15:51:42 -324.784654 13.692525 BFGS: 5157 15:51:42 -324.768556 13.736888 BFGS: 5158 15:51:42 -324.785058 13.707977 BFGS: 5159 15:51:42 -324.768752 13.671627 BFGS: 5160 15:51:43 -324.784657 13.692534 BFGS: 5161 15:51:43 -324.768560 13.736905 BFGS: 5162 15:51:43 -324.785061 13.707991 BFGS: 5163 15:51:43 -324.768756 13.671626 BFGS: 5164 15:51:43 -324.784659 13.692544 BFGS: 5165 15:51:43 -324.768563 13.736922 BFGS: 5166 15:51:43 -324.785063 13.708005 BFGS: 5167 15:51:43 -324.768760 13.671625 BFGS: 5168 15:51:43 -324.784662 13.692553 BFGS: 5169 15:51:43 -324.768567 13.736939 BFGS: 5170 15:51:43 -324.785066 13.708018 BFGS: 5171 15:51:44 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-324.785126 13.708341 BFGS: 5267 15:51:50 -324.768854 13.671614 BFGS: 5268 15:51:50 -324.784730 13.692791 BFGS: 5269 15:51:50 -324.768654 13.737341 BFGS: 5270 15:51:51 -324.785129 13.708354 BFGS: 5271 15:51:51 -324.768857 13.671614 BFGS: 5272 15:51:51 -324.784733 13.692801 BFGS: 5273 15:51:51 -324.768658 13.737357 BFGS: 5274 15:51:51 -324.785132 13.708367 BFGS: 5275 15:51:51 -324.768861 13.671614 BFGS: 5276 15:51:51 -324.784735 13.692810 BFGS: 5277 15:51:51 -324.768661 13.737372 BFGS: 5278 15:51:51 -324.785134 13.708380 BFGS: 5279 15:51:51 -324.768865 13.671614 BFGS: 5280 15:51:51 -324.784738 13.692820 BFGS: 5281 15:51:51 -324.768664 13.737387 BFGS: 5282 15:51:51 -324.785137 13.708393 BFGS: 5283 15:51:51 -324.768868 13.671615 BFGS: 5284 15:51:51 -324.784741 13.692829 BFGS: 5285 15:51:51 -324.768668 13.737403 BFGS: 5286 15:51:51 -324.785139 13.708406 BFGS: 5287 15:51:51 -324.768872 13.671615 BFGS: 5288 15:51:52 -324.784743 13.692839 BFGS: 5289 15:51:52 -324.768671 13.737418 BFGS: 5290 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13.693184 BFGS: 5433 15:52:03 -324.768791 13.737937 BFGS: 5434 15:52:03 -324.785231 13.708878 BFGS: 5435 15:52:03 -324.769002 13.671653 BFGS: 5436 15:52:03 -324.784842 13.693194 BFGS: 5437 15:52:03 -324.768794 13.737950 BFGS: 5438 15:52:03 -324.785234 13.708890 BFGS: 5439 15:52:03 -324.769006 13.671655 BFGS: 5440 15:52:04 -324.784845 13.693203 BFGS: 5441 15:52:04 -324.768797 13.737964 BFGS: 5442 15:52:04 -324.785236 13.708903 BFGS: 5443 15:52:04 -324.769009 13.671657 BFGS: 5444 15:52:04 -324.784848 13.693213 BFGS: 5445 15:52:04 -324.768801 13.737977 BFGS: 5446 15:52:04 -324.785239 13.708915 BFGS: 5447 15:52:05 -324.769013 13.671659 BFGS: 5448 15:52:05 -324.784850 13.693222 BFGS: 5449 15:52:05 -324.768804 13.737991 BFGS: 5450 15:52:05 -324.785241 13.708927 BFGS: 5451 15:52:05 -324.769016 13.671661 BFGS: 5452 15:52:05 -324.784853 13.693232 BFGS: 5453 15:52:05 -324.768807 13.738004 BFGS: 5454 15:52:05 -324.785244 13.708940 BFGS: 5455 15:52:05 -324.769020 13.671662 BFGS: 5456 15:52:05 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15:52:07 -324.784871 13.693299 BFGS: 5481 15:52:07 -324.768830 13.738097 BFGS: 5482 15:52:07 -324.785261 13.709025 BFGS: 5483 15:52:07 -324.769043 13.671677 BFGS: 5484 15:52:07 -324.784874 13.693309 BFGS: 5485 15:52:07 -324.768833 13.738110 BFGS: 5486 15:52:07 -324.785264 13.709038 BFGS: 5487 15:52:07 -324.769047 13.671679 BFGS: 5488 15:52:08 -324.784877 13.693319 BFGS: 5489 15:52:08 -324.768836 13.738123 BFGS: 5490 15:52:08 -324.785266 13.709050 BFGS: 5491 15:52:08 -324.769050 13.671681 BFGS: 5492 15:52:08 -324.784879 13.693328 BFGS: 5493 15:52:08 -324.768839 13.738136 BFGS: 5494 15:52:08 -324.785269 13.709062 BFGS: 5495 15:52:08 -324.769054 13.671683 BFGS: 5496 15:52:08 -324.784882 13.693338 BFGS: 5497 15:52:08 -324.768842 13.738149 BFGS: 5498 15:52:08 -324.785271 13.709074 BFGS: 5499 15:52:08 -324.769057 13.671686 BFGS: 5500 15:52:08 -324.784885 13.693347 BFGS: 5501 15:52:09 -324.768846 13.738162 BFGS: 5502 15:52:09 -324.785273 13.709086 BFGS: 5503 15:52:09 -324.769060 13.671688 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-324.769100 13.671718 BFGS: 5552 15:52:11 -324.784919 13.693473 BFGS: 5553 15:52:12 -324.768887 13.738327 BFGS: 5554 15:52:12 -324.785306 13.709243 BFGS: 5555 15:52:12 -324.769104 13.671721 BFGS: 5556 15:52:12 -324.784921 13.693482 BFGS: 5557 15:52:12 -324.768890 13.738339 BFGS: 5558 15:52:12 -324.785308 13.709255 BFGS: 5559 15:52:12 -324.769107 13.671724 BFGS: 5560 15:52:12 -324.784924 13.693492 BFGS: 5561 15:52:12 -324.768893 13.738351 BFGS: 5562 15:52:12 -324.785310 13.709266 BFGS: 5563 15:52:12 -324.769110 13.671727 BFGS: 5564 15:52:12 -324.784927 13.693502 BFGS: 5565 15:52:12 -324.768896 13.738364 BFGS: 5566 15:52:12 -324.785313 13.709278 BFGS: 5567 15:52:12 -324.769113 13.671730 BFGS: 5568 15:52:12 -324.784929 13.693511 BFGS: 5569 15:52:12 -324.768899 13.738376 BFGS: 5570 15:52:12 -324.785315 13.709290 BFGS: 5571 15:52:12 -324.769117 13.671732 BFGS: 5572 15:52:12 -324.784932 13.693521 BFGS: 5573 15:52:12 -324.768902 13.738388 BFGS: 5574 15:52:12 -324.785318 13.709302 BFGS: 5575 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15:52:25 -324.769048 13.738933 BFGS: 5766 15:52:25 -324.785435 13.709853 BFGS: 5767 15:52:25 -324.769273 13.671910 BFGS: 5768 15:52:25 -324.785059 13.693994 BFGS: 5769 15:52:25 -324.769051 13.738944 BFGS: 5770 15:52:25 -324.785437 13.709864 BFGS: 5771 15:52:25 -324.769276 13.671915 BFGS: 5772 15:52:25 -324.785061 13.694004 BFGS: 5773 15:52:25 -324.769054 13.738954 BFGS: 5774 15:52:25 -324.785440 13.709875 BFGS: 5775 15:52:25 -324.769279 13.671919 BFGS: 5776 15:52:25 -324.785064 13.694014 BFGS: 5777 15:52:25 -324.769057 13.738965 BFGS: 5778 15:52:25 -324.785442 13.709886 BFGS: 5779 15:52:25 -324.769282 13.671923 BFGS: 5780 15:52:25 -324.785066 13.694023 BFGS: 5781 15:52:25 -324.769060 13.738975 BFGS: 5782 15:52:25 -324.785444 13.709897 BFGS: 5783 15:52:25 -324.769285 13.671928 BFGS: 5784 15:52:25 -324.785069 13.694033 BFGS: 5785 15:52:25 -324.769063 13.738985 BFGS: 5786 15:52:25 -324.785447 13.709908 BFGS: 5787 15:52:25 -324.769288 13.671932 BFGS: 5788 15:52:25 -324.785071 13.694043 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-324.786668 13.714509 BFGS: 7927 15:55:23 -324.770688 13.676433 BFGS: 7928 15:55:23 -324.786354 13.699052 BFGS: 7929 15:55:23 -324.770428 13.741765 BFGS: 7930 15:55:23 -324.786670 13.714516 BFGS: 7931 15:55:23 -324.770691 13.676443 BFGS: 7932 15:55:24 -324.786356 13.699061 BFGS: 7933 15:55:24 -324.770430 13.741767 BFGS: 7934 15:55:24 -324.786672 13.714523 BFGS: 7935 15:55:24 -324.770693 13.676454 BFGS: 7936 15:55:24 -324.786359 13.699070 BFGS: 7937 15:55:24 -324.770432 13.741769 BFGS: 7938 15:55:24 -324.786675 13.714530 BFGS: 7939 15:55:24 -324.770695 13.676464 BFGS: 7940 15:55:24 -324.786361 13.699079 BFGS: 7941 15:55:24 -324.770435 13.741771 BFGS: 7942 15:55:24 -324.786677 13.714537 BFGS: 7943 15:55:24 -324.770698 13.676475 BFGS: 7944 15:55:24 -324.786363 13.699088 BFGS: 7945 15:55:24 -324.770437 13.741773 BFGS: 7946 15:55:25 -324.786679 13.714544 BFGS: 7947 15:55:25 -324.770700 13.676485 BFGS: 7948 15:55:25 -324.786365 13.699097 BFGS: 7949 15:55:25 -324.770439 13.741776 BFGS: 7950 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15:55:59 -324.770714 13.742002 BFGS: 8426 15:55:59 -324.786937 13.715347 BFGS: 8427 15:55:59 -324.770981 13.677751 BFGS: 8428 15:55:59 -324.786636 13.700146 BFGS: 8429 15:55:59 -324.770716 13.742004 BFGS: 8430 15:55:59 -324.786940 13.715354 BFGS: 8431 15:55:59 -324.770983 13.677762 BFGS: 8432 15:55:59 -324.786638 13.700155 BFGS: 8433 15:55:59 -324.770718 13.742006 BFGS: 8434 15:55:59 -324.786942 13.715360 BFGS: 8435 15:55:59 -324.770985 13.677773 BFGS: 8436 15:56:00 -324.786640 13.700163 BFGS: 8437 15:56:00 -324.770720 13.742007 BFGS: 8438 15:56:00 -324.786944 13.715367 BFGS: 8439 15:56:00 -324.770988 13.677783 BFGS: 8440 15:56:00 -324.786642 13.700172 BFGS: 8441 15:56:00 -324.770723 13.742009 BFGS: 8442 15:56:00 -324.786946 13.715373 BFGS: 8443 15:56:00 -324.770990 13.677794 BFGS: 8444 15:56:00 -324.786645 13.700180 BFGS: 8445 15:56:00 -324.770725 13.742010 BFGS: 8446 15:56:00 -324.786948 13.715380 BFGS: 8447 15:56:00 -324.770992 13.677804 BFGS: 8448 15:56:00 -324.786647 13.700189 BFGS: 8449 15:56:01 -324.770727 13.742012 BFGS: 8450 15:56:01 -324.786950 13.715386 BFGS: 8451 15:56:01 -324.770995 13.677815 BFGS: 8452 15:56:01 -324.786649 13.700198 BFGS: 8453 15:56:01 -324.770730 13.742014 BFGS: 8454 15:56:01 -324.786952 13.715393 BFGS: 8455 15:56:01 -324.770997 13.677826 BFGS: 8456 15:56:01 -324.786651 13.700206 BFGS: 8457 15:56:01 -324.770732 13.742015 BFGS: 8458 15:56:01 -324.786955 13.715399 BFGS: 8459 15:56:01 -324.770999 13.677836 BFGS: 8460 15:56:01 -324.786653 13.700215 BFGS: 8461 15:56:01 -324.770734 13.742017 BFGS: 8462 15:56:02 -324.786957 13.715406 BFGS: 8463 15:56:02 -324.771001 13.677847 BFGS: 8464 15:56:02 -324.786656 13.700223 BFGS: 8465 15:56:02 -324.770736 13.742019 BFGS: 8466 15:56:02 -324.786959 13.715412 BFGS: 8467 15:56:02 -324.771004 13.677858 BFGS: 8468 15:56:02 -324.786658 13.700232 BFGS: 8469 15:56:02 -324.770739 13.742020 BFGS: 8470 15:56:02 -324.786961 13.715418 BFGS: 8471 15:56:02 -324.771006 13.677868 BFGS: 8472 15:56:02 -324.786660 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-324.771075 13.678189 BFGS: 8592 15:56:11 -324.786727 13.700498 BFGS: 8593 15:56:11 -324.770809 13.742068 BFGS: 8594 15:56:11 -324.787027 13.715617 BFGS: 8595 15:56:11 -324.771077 13.678200 BFGS: 8596 15:56:11 -324.786729 13.700506 BFGS: 8597 15:56:12 -324.770811 13.742070 BFGS: 8598 15:56:12 -324.787029 13.715623 BFGS: 8599 15:56:12 -324.771080 13.678211 BFGS: 8600 15:56:12 -324.786731 13.700515 BFGS: 8601 15:56:12 -324.770814 13.742071 BFGS: 8602 15:56:12 -324.787031 13.715630 BFGS: 8603 15:56:12 -324.771082 13.678221 BFGS: 8604 15:56:12 -324.786733 13.700523 BFGS: 8605 15:56:12 -324.770816 13.742073 BFGS: 8606 15:56:12 -324.787033 13.715636 BFGS: 8607 15:56:12 -324.771084 13.678232 BFGS: 8608 15:56:12 -324.786736 13.700532 BFGS: 8609 15:56:12 -324.770818 13.742074 BFGS: 8610 15:56:12 -324.787035 13.715642 BFGS: 8611 15:56:12 -324.771087 13.678243 BFGS: 8612 15:56:12 -324.786738 13.700540 BFGS: 8613 15:56:12 -324.770820 13.742076 BFGS: 8614 15:56:12 -324.787037 13.715649 BFGS: 8615 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-324.787076 13.715762 BFGS: 8687 15:56:16 -324.771130 13.678446 BFGS: 8688 15:56:16 -324.786780 13.700702 BFGS: 8689 15:56:16 -324.770863 13.742103 BFGS: 8690 15:56:16 -324.787078 13.715769 BFGS: 8691 15:56:17 -324.771132 13.678457 BFGS: 8692 15:56:17 -324.786782 13.700710 BFGS: 8693 15:56:17 -324.770866 13.742105 BFGS: 8694 15:56:17 -324.787080 13.715775 BFGS: 8695 15:56:17 -324.771135 13.678468 BFGS: 8696 15:56:17 -324.786784 13.700719 BFGS: 8697 15:56:17 -324.770868 13.742106 BFGS: 8698 15:56:17 -324.787082 13.715781 BFGS: 8699 15:56:17 -324.771137 13.678478 BFGS: 8700 15:56:17 -324.786787 13.700727 BFGS: 8701 15:56:17 -324.770870 13.742108 BFGS: 8702 15:56:17 -324.787084 13.715787 BFGS: 8703 15:56:17 -324.771139 13.678489 BFGS: 8704 15:56:17 -324.786789 13.700736 BFGS: 8705 15:56:17 -324.770872 13.742109 BFGS: 8706 15:56:17 -324.787086 13.715794 BFGS: 8707 15:56:17 -324.771141 13.678500 BFGS: 8708 15:56:17 -324.786791 13.700744 BFGS: 8709 15:56:18 -324.770875 13.742111 BFGS: 8710 15:56:18 -324.787088 13.715800 BFGS: 8711 15:56:18 -324.771144 13.678511 BFGS: 8712 15:56:18 -324.786793 13.700753 BFGS: 8713 15:56:18 -324.770877 13.742112 BFGS: 8714 15:56:18 -324.787090 13.715806 BFGS: 8715 15:56:18 -324.771146 13.678521 BFGS: 8716 15:56:18 -324.786795 13.700761 BFGS: 8717 15:56:18 -324.770879 13.742113 BFGS: 8718 15:56:18 -324.787093 13.715812 BFGS: 8719 15:56:18 -324.771148 13.678532 BFGS: 8720 15:56:18 -324.786798 13.700770 BFGS: 8721 15:56:18 -324.770881 13.742115 BFGS: 8722 15:56:18 -324.787095 13.715819 BFGS: 8723 15:56:19 -324.771151 13.678543 BFGS: 8724 15:56:19 -324.786800 13.700778 BFGS: 8725 15:56:19 -324.770884 13.742116 BFGS: 8726 15:56:19 -324.787097 13.715825 BFGS: 8727 15:56:19 -324.771153 13.678554 BFGS: 8728 15:56:19 -324.786802 13.700787 BFGS: 8729 15:56:19 -324.770886 13.742118 BFGS: 8730 15:56:19 -324.787099 13.715831 BFGS: 8731 15:56:19 -324.771155 13.678564 BFGS: 8732 15:56:19 -324.786804 13.700795 BFGS: 8733 15:56:19 -324.770888 13.742119 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-324.770915 13.742135 BFGS: 8782 15:56:23 -324.787126 13.715912 BFGS: 8783 15:56:23 -324.771185 13.678704 BFGS: 8784 15:56:23 -324.786833 13.700905 BFGS: 8785 15:56:23 -324.770917 13.742137 BFGS: 8786 15:56:23 -324.787128 13.715919 BFGS: 8787 15:56:23 -324.771187 13.678715 BFGS: 8788 15:56:23 -324.786835 13.700913 BFGS: 8789 15:56:23 -324.770920 13.742138 BFGS: 8790 15:56:23 -324.787131 13.715925 BFGS: 8791 15:56:23 -324.771189 13.678725 BFGS: 8792 15:56:23 -324.786837 13.700922 BFGS: 8793 15:56:23 -324.770922 13.742140 BFGS: 8794 15:56:23 -324.787133 13.715931 BFGS: 8795 15:56:23 -324.771192 13.678736 BFGS: 8796 15:56:23 -324.786839 13.700930 BFGS: 8797 15:56:23 -324.770924 13.742141 BFGS: 8798 15:56:24 -324.787135 13.715937 BFGS: 8799 15:56:24 -324.771194 13.678747 BFGS: 8800 15:56:24 -324.786842 13.700939 BFGS: 8801 15:56:24 -324.770926 13.742142 BFGS: 8802 15:56:24 -324.787137 13.715943 BFGS: 8803 15:56:24 -324.771196 13.678758 BFGS: 8804 15:56:24 -324.786844 13.700947 BFGS: 8805 15:56:24 -324.770929 13.742144 BFGS: 8806 15:56:24 -324.787139 13.715950 BFGS: 8807 15:56:24 -324.771198 13.678768 BFGS: 8808 15:56:24 -324.786846 13.700956 BFGS: 8809 15:56:24 -324.770931 13.742145 BFGS: 8810 15:56:24 -324.787141 13.715956 BFGS: 8811 15:56:24 -324.771201 13.678779 BFGS: 8812 15:56:24 -324.786848 13.700964 BFGS: 8813 15:56:24 -324.770933 13.742146 BFGS: 8814 15:56:24 -324.787143 13.715962 BFGS: 8815 15:56:24 -324.771203 13.678790 BFGS: 8816 15:56:24 -324.786850 13.700973 BFGS: 8817 15:56:25 -324.770935 13.742148 BFGS: 8818 15:56:25 -324.787145 13.715968 BFGS: 8819 15:56:25 -324.771205 13.678801 BFGS: 8820 15:56:25 -324.786853 13.700981 BFGS: 8821 15:56:25 -324.770938 13.742149 BFGS: 8822 15:56:25 -324.787147 13.715974 BFGS: 8823 15:56:25 -324.771207 13.678811 BFGS: 8824 15:56:25 -324.786855 13.700989 BFGS: 8825 15:56:25 -324.770940 13.742150 BFGS: 8826 15:56:25 -324.787149 13.715981 BFGS: 8827 15:56:25 -324.771210 13.678822 BFGS: 8828 15:56:25 -324.786857 13.700998 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13.681188 BFGS: 9708 15:57:33 -324.787332 13.702803 BFGS: 9709 15:57:33 -324.771428 13.742393 BFGS: 9710 15:57:33 -324.787607 13.717288 BFGS: 9711 15:57:33 -324.771703 13.681199 BFGS: 9712 15:57:33 -324.787334 13.702811 BFGS: 9713 15:57:33 -324.771430 13.742393 BFGS: 9714 15:57:33 -324.787609 13.717294 BFGS: 9715 15:57:33 -324.771705 13.681210 BFGS: 9716 15:57:33 -324.787337 13.702819 BFGS: 9717 15:57:33 -324.771433 13.742394 BFGS: 9718 15:57:33 -324.787611 13.717300 BFGS: 9719 15:57:34 -324.771708 13.681220 BFGS: 9720 15:57:34 -324.787339 13.702827 BFGS: 9721 15:57:34 -324.771435 13.742395 BFGS: 9722 15:57:34 -324.787613 13.717305 BFGS: 9723 15:57:34 -324.771710 13.681231 BFGS: 9724 15:57:34 -324.787341 13.702835 BFGS: 9725 15:57:35 -324.771437 13.742396 BFGS: 9726 15:57:35 -324.787615 13.717311 BFGS: 9727 15:57:35 -324.771712 13.681242 BFGS: 9728 15:57:35 -324.787343 13.702843 BFGS: 9729 15:57:35 -324.771439 13.742397 BFGS: 9730 15:57:35 -324.787618 13.717317 BFGS: 9731 15:57:35 -324.771714 13.681253 BFGS: 9732 15:57:35 -324.787345 13.702851 BFGS: 9733 15:57:35 -324.771441 13.742398 BFGS: 9734 15:57:35 -324.787620 13.717322 BFGS: 9735 15:57:35 -324.771716 13.681263 BFGS: 9736 15:57:36 -324.787347 13.702859 BFGS: 9737 15:57:36 -324.771443 13.742399 BFGS: 9738 15:57:36 -324.787622 13.717328 BFGS: 9739 15:57:36 -324.771719 13.681274 BFGS: 9740 15:57:36 -324.787349 13.702867 BFGS: 9741 15:57:36 -324.771446 13.742400 BFGS: 9742 15:57:36 -324.787624 13.717334 BFGS: 9743 15:57:36 -324.771721 13.681285 BFGS: 9744 15:57:36 -324.787351 13.702875 BFGS: 9745 15:57:36 -324.771448 13.742401 BFGS: 9746 15:57:36 -324.787626 13.717339 BFGS: 9747 15:57:36 -324.771723 13.681295 BFGS: 9748 15:57:37 -324.787354 13.702883 BFGS: 9749 15:57:37 -324.771450 13.742402 BFGS: 9750 15:57:37 -324.787628 13.717345 BFGS: 9751 15:57:37 -324.771725 13.681306 BFGS: 9752 15:57:37 -324.787356 13.702891 BFGS: 9753 15:57:37 -324.771452 13.742403 BFGS: 9754 15:57:37 -324.787630 13.717351 BFGS: 9755 15:57:38 -324.771727 13.681317 BFGS: 9756 15:57:38 -324.787358 13.702899 BFGS: 9757 15:57:38 -324.771454 13.742404 BFGS: 9758 15:57:38 -324.787632 13.717356 BFGS: 9759 15:57:38 -324.771730 13.681328 BFGS: 9760 15:57:38 -324.787360 13.702907 BFGS: 9761 15:57:38 -324.771457 13.742404 BFGS: 9762 15:57:38 -324.787634 13.717362 BFGS: 9763 15:57:38 -324.771732 13.681338 BFGS: 9764 15:57:39 -324.787362 13.702915 BFGS: 9765 15:57:39 -324.771459 13.742405 BFGS: 9766 15:57:39 -324.787636 13.717368 BFGS: 9767 15:57:39 -324.771734 13.681349 BFGS: 9768 15:57:39 -324.787364 13.702923 BFGS: 9769 15:57:39 -324.771461 13.742406 BFGS: 9770 15:57:39 -324.787638 13.717373 BFGS: 9771 15:57:39 -324.771736 13.681360 BFGS: 9772 15:57:39 -324.787366 13.702931 BFGS: 9773 15:57:39 -324.771463 13.742407 BFGS: 9774 15:57:39 -324.787640 13.717379 BFGS: 9775 15:57:40 -324.771738 13.681370 BFGS: 9776 15:57:40 -324.787368 13.702939 BFGS: 9777 15:57:40 -324.771465 13.742408 BFGS: 9778 15:57:40 -324.787642 13.717385 BFGS: 9779 15:57:40 -324.771741 13.681381 BFGS: 9780 15:57:40 -324.787370 13.702947 BFGS: 9781 15:57:40 -324.771467 13.742409 BFGS: 9782 15:57:40 -324.787644 13.717390 BFGS: 9783 15:57:40 -324.771743 13.681392 BFGS: 9784 15:57:40 -324.787373 13.702955 BFGS: 9785 15:57:40 -324.771470 13.742410 BFGS: 9786 15:57:40 -324.787646 13.717396 BFGS: 9787 15:57:40 -324.771745 13.681403 BFGS: 9788 15:57:40 -324.787375 13.702963 BFGS: 9789 15:57:40 -324.771472 13.742411 BFGS: 9790 15:57:40 -324.787648 13.717401 BFGS: 9791 15:57:40 -324.771747 13.681413 BFGS: 9792 15:57:40 -324.787377 13.702971 BFGS: 9793 15:57:40 -324.771474 13.742412 BFGS: 9794 15:57:40 -324.787650 13.717407 BFGS: 9795 15:57:41 -324.771749 13.681424 BFGS: 9796 15:57:41 -324.787379 13.702979 BFGS: 9797 15:57:41 -324.771476 13.742413 BFGS: 9798 15:57:41 -324.787652 13.717413 BFGS: 9799 15:57:41 -324.771752 13.681435 BFGS: 9800 15:57:41 -324.787381 13.702987 BFGS: 9801 15:57:41 -324.771478 13.742413 BFGS: 9802 15:57:41 -324.787654 13.717418 BFGS: 9803 15:57:41 -324.771754 13.681445 BFGS: 9804 15:57:41 -324.787383 13.702995 BFGS: 9805 15:57:41 -324.771480 13.742414 BFGS: 9806 15:57:41 -324.787656 13.717424 BFGS: 9807 15:57:41 -324.771756 13.681456 BFGS: 9808 15:57:41 -324.787385 13.703003 BFGS: 9809 15:57:41 -324.771483 13.742415 BFGS: 9810 15:57:41 -324.787658 13.717430 BFGS: 9811 15:57:41 -324.771758 13.681467 BFGS: 9812 15:57:42 -324.787387 13.703011 BFGS: 9813 15:57:42 -324.771485 13.742416 BFGS: 9814 15:57:42 -324.787660 13.717435 BFGS: 9815 15:57:42 -324.771760 13.681478 BFGS: 9816 15:57:42 -324.787390 13.703019 BFGS: 9817 15:57:42 -324.771487 13.742417 BFGS: 9818 15:57:42 -324.787662 13.717441 BFGS: 9819 15:57:42 -324.771762 13.681488 BFGS: 9820 15:57:42 -324.787392 13.703027 BFGS: 9821 15:57:42 -324.771489 13.742418 BFGS: 9822 15:57:42 -324.787664 13.717447 BFGS: 9823 15:57:42 -324.771765 13.681499 BFGS: 9824 15:57:42 -324.787394 13.703035 BFGS: 9825 15:57:42 -324.771491 13.742419 BFGS: 9826 15:57:42 -324.787666 13.717452 BFGS: 9827 15:57:42 -324.771767 13.681510 BFGS: 9828 15:57:42 -324.787396 13.703043 BFGS: 9829 15:57:42 -324.771493 13.742420 BFGS: 9830 15:57:42 -324.787668 13.717458 BFGS: 9831 15:57:42 -324.771769 13.681520 BFGS: 9832 15:57:42 -324.787398 13.703051 BFGS: 9833 15:57:42 -324.771496 13.742421 BFGS: 9834 15:57:42 -324.787670 13.717463 BFGS: 9835 15:57:42 -324.771771 13.681531 BFGS: 9836 15:57:43 -324.787400 13.703058 BFGS: 9837 15:57:43 -324.771498 13.742421 BFGS: 9838 15:57:43 -324.787672 13.717469 BFGS: 9839 15:57:43 -324.771773 13.681542 BFGS: 9840 15:57:43 -324.787402 13.703066 BFGS: 9841 15:57:43 -324.771500 13.742422 BFGS: 9842 15:57:43 -324.787674 13.717475 BFGS: 9843 15:57:43 -324.771776 13.681553 BFGS: 9844 15:57:43 -324.787404 13.703074 BFGS: 9845 15:57:43 -324.771502 13.742423 BFGS: 9846 15:57:44 -324.787677 13.717480 BFGS: 9847 15:57:44 -324.771778 13.681563 BFGS: 9848 15:57:44 -324.787406 13.703082 BFGS: 9849 15:57:44 -324.771504 13.742424 BFGS: 9850 15:57:44 -324.787679 13.717486 BFGS: 9851 15:57:44 -324.771780 13.681574 BFGS: 9852 15:57:44 -324.787409 13.703090 BFGS: 9853 15:57:44 -324.771506 13.742425 BFGS: 9854 15:57:44 -324.787681 13.717491 BFGS: 9855 15:57:44 -324.771782 13.681585 BFGS: 9856 15:57:45 -324.787411 13.703098 BFGS: 9857 15:57:45 -324.771509 13.742426 BFGS: 9858 15:57:45 -324.787683 13.717497 BFGS: 9859 15:57:45 -324.771784 13.681595 BFGS: 9860 15:57:45 -324.787413 13.703106 BFGS: 9861 15:57:45 -324.771511 13.742427 BFGS: 9862 15:57:45 -324.787685 13.717503 BFGS: 9863 15:57:45 -324.771787 13.681606 BFGS: 9864 15:57:45 -324.787415 13.703114 BFGS: 9865 15:57:45 -324.771513 13.742428 BFGS: 9866 15:57:45 -324.787687 13.717508 BFGS: 9867 15:57:46 -324.771789 13.681617 BFGS: 9868 15:57:46 -324.787417 13.703122 BFGS: 9869 15:57:46 -324.771515 13.742428 BFGS: 9870 15:57:46 -324.787689 13.717514 BFGS: 9871 15:57:46 -324.771791 13.681627 BFGS: 9872 15:57:46 -324.787419 13.703130 BFGS: 9873 15:57:46 -324.771517 13.742429 BFGS: 9874 15:57:46 -324.787691 13.717520 BFGS: 9875 15:57:46 -324.771793 13.681638 BFGS: 9876 15:57:46 -324.787421 13.703138 BFGS: 9877 15:57:46 -324.771519 13.742430 BFGS: 9878 15:57:46 -324.787693 13.717525 BFGS: 9879 15:57:46 -324.771795 13.681649 BFGS: 9880 15:57:46 -324.787423 13.703146 BFGS: 9881 15:57:46 -324.771522 13.742431 BFGS: 9882 15:57:46 -324.787695 13.717531 BFGS: 9883 15:57:47 -324.771797 13.681660 BFGS: 9884 15:57:47 -324.787426 13.703154 BFGS: 9885 15:57:47 -324.771524 13.742432 BFGS: 9886 15:57:47 -324.787697 13.717536 BFGS: 9887 15:57:47 -324.771800 13.681670 BFGS: 9888 15:57:47 -324.787428 13.703162 BFGS: 9889 15:57:47 -324.771526 13.742433 BFGS: 9890 15:57:47 -324.787699 13.717542 BFGS: 9891 15:57:48 -324.771802 13.681681 BFGS: 9892 15:57:48 -324.787430 13.703170 BFGS: 9893 15:57:48 -324.771528 13.742434 BFGS: 9894 15:57:48 -324.787701 13.717547 BFGS: 9895 15:57:48 -324.771804 13.681692 BFGS: 9896 15:57:48 -324.787432 13.703177 BFGS: 9897 15:57:48 -324.771530 13.742435 BFGS: 9898 15:57:48 -324.787703 13.717553 BFGS: 9899 15:57:48 -324.771806 13.681702 BFGS: 9900 15:57:49 -324.787434 13.703185 BFGS: 9901 15:57:49 -324.771532 13.742435 BFGS: 9902 15:57:49 -324.787705 13.717559 BFGS: 9903 15:57:49 -324.771808 13.681713 BFGS: 9904 15:57:49 -324.787436 13.703193 BFGS: 9905 15:57:49 -324.771535 13.742436 BFGS: 9906 15:57:49 -324.787707 13.717564 BFGS: 9907 15:57:49 -324.771811 13.681724 BFGS: 9908 15:57:50 -324.787438 13.703201 BFGS: 9909 15:57:50 -324.771537 13.742437 BFGS: 9910 15:57:50 -324.787709 13.717570 BFGS: 9911 15:57:50 -324.771813 13.681734 BFGS: 9912 15:57:50 -324.787440 13.703209 BFGS: 9913 15:57:50 -324.771539 13.742438 BFGS: 9914 15:57:50 -324.787711 13.717575 BFGS: 9915 15:57:50 -324.771815 13.681745 BFGS: 9916 15:57:50 -324.787442 13.703217 BFGS: 9917 15:57:50 -324.771541 13.742439 BFGS: 9918 15:57:51 -324.787713 13.717581 BFGS: 9919 15:57:51 -324.771817 13.681756 BFGS: 9920 15:57:51 -324.787445 13.703225 BFGS: 9921 15:57:51 -324.771543 13.742440 BFGS: 9922 15:57:51 -324.787715 13.717587 BFGS: 9923 15:57:51 -324.771819 13.681767 BFGS: 9924 15:57:51 -324.787447 13.703233 BFGS: 9925 15:57:51 -324.771545 13.742441 BFGS: 9926 15:57:51 -324.787717 13.717592 BFGS: 9927 15:57:51 -324.771821 13.681777 BFGS: 9928 15:57:51 -324.787449 13.703241 BFGS: 9929 15:57:51 -324.771548 13.742441 BFGS: 9930 15:57:51 -324.787719 13.717598 BFGS: 9931 15:57:51 -324.771824 13.681788 BFGS: 9932 15:57:51 -324.787451 13.703249 BFGS: 9933 15:57:51 -324.771550 13.742442 BFGS: 9934 15:57:52 -324.787721 13.717603 BFGS: 9935 15:57:52 -324.771826 13.681799 BFGS: 9936 15:57:52 -324.787453 13.703257 BFGS: 9937 15:57:52 -324.771552 13.742443 BFGS: 9938 15:57:52 -324.787723 13.717609 BFGS: 9939 15:57:52 -324.771828 13.681809 BFGS: 9940 15:57:52 -324.787455 13.703264 BFGS: 9941 15:57:52 -324.771554 13.742444 BFGS: 9942 15:57:53 -324.787725 13.717614 BFGS: 9943 15:57:53 -324.771830 13.681820 BFGS: 9944 15:57:53 -324.787457 13.703272 BFGS: 9945 15:57:53 -324.771556 13.742445 BFGS: 9946 15:57:53 -324.787727 13.717620 BFGS: 9947 15:57:53 -324.771832 13.681831 BFGS: 9948 15:57:53 -324.787459 13.703280 BFGS: 9949 15:57:53 -324.771558 13.742446 BFGS: 9950 15:57:54 -324.787729 13.717626 BFGS: 9951 15:57:54 -324.771835 13.681841 BFGS: 9952 15:57:54 -324.787461 13.703288 BFGS: 9953 15:57:54 -324.771561 13.742447 BFGS: 9954 15:57:54 -324.787731 13.717631 BFGS: 9955 15:57:54 -324.771837 13.681852 BFGS: 9956 15:57:54 -324.787463 13.703296 BFGS: 9957 15:57:54 -324.771563 13.742447 BFGS: 9958 15:57:54 -324.787733 13.717637 BFGS: 9959 15:57:54 -324.771839 13.681863 BFGS: 9960 15:57:54 -324.787466 13.703304 BFGS: 9961 15:57:55 -324.771565 13.742448 BFGS: 9962 15:57:55 -324.787735 13.717642 BFGS: 9963 15:57:55 -324.771841 13.681873 BFGS: 9964 15:57:55 -324.787468 13.703312 BFGS: 9965 15:57:55 -324.771567 13.742449 BFGS: 9966 15:57:55 -324.787737 13.717648 BFGS: 9967 15:57:55 -324.771843 13.681884 BFGS: 9968 15:57:55 -324.787470 13.703320 BFGS: 9969 15:57:55 -324.771569 13.742450 BFGS: 9970 15:57:55 -324.787739 13.717653 BFGS: 9971 15:57:55 -324.771845 13.681895 BFGS: 9972 15:57:56 -324.787472 13.703328 BFGS: 9973 15:57:56 -324.771571 13.742451 BFGS: 9974 15:57:56 -324.787741 13.717659 BFGS: 9975 15:57:56 -324.771848 13.681905 BFGS: 9976 15:57:56 -324.787474 13.703336 BFGS: 9977 15:57:56 -324.771574 13.742452 BFGS: 9978 15:57:56 -324.787743 13.717665 BFGS: 9979 15:57:56 -324.771850 13.681916 BFGS: 9980 15:57:56 -324.787476 13.703343 BFGS: 9981 15:57:56 -324.771576 13.742453 BFGS: 9982 15:57:56 -324.787745 13.717670 BFGS: 9983 15:57:57 -324.771852 13.681927 BFGS: 9984 15:57:57 -324.787478 13.703351 BFGS: 9985 15:57:57 -324.771578 13.742453 BFGS: 9986 15:57:57 -324.787747 13.717676 BFGS: 9987 15:57:57 -324.771854 13.681938 BFGS: 9988 15:57:57 -324.787480 13.703359 BFGS: 9989 15:57:57 -324.771580 13.742454 BFGS: 9990 15:57:57 -324.787749 13.717681 BFGS: 9991 15:57:57 -324.771856 13.681948 BFGS: 9992 15:57:57 -324.787482 13.703367 BFGS: 9993 15:57:57 -324.771582 13.742455 BFGS: 9994 15:57:58 -324.787751 13.717687 BFGS: 9995 15:57:58 -324.771858 13.681959 BFGS: 9996 15:57:58 -324.787485 13.703375 BFGS: 9997 15:57:58 -324.771584 13.742456 BFGS: 9998 15:57:58 -324.787753 13.717692 BFGS: 9999 15:57:58 -324.771861 13.681970 BFGS: 10000 15:57:58 -324.787487 13.703383 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 17.40305935768587 eV/Angstrom Maximum stress component: 0.31458101222908064 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti'] basis = [[0.00000000e+00 0.00000000e+00 8.95167094e-29] [3.33333333e-01 6.66666667e-01 0.00000000e+00] [1.02127313e-28 1.76069458e-29 6.21009597e-01] [0.00000000e+00 0.00000000e+00 3.78990403e-01] [6.66666667e-01 3.33333333e-01 7.01246862e-01] [6.66666667e-01 3.33333333e-01 2.98753138e-01] [9.99968391e-01 5.05266723e-06 5.00823133e-01] [9.99994947e-01 9.99963338e-01 5.00823133e-01] [3.66616920e-05 3.16090247e-05 5.00823133e-01] [9.99994947e-01 3.16090247e-05 4.99176867e-01] [3.66616920e-05 5.05266723e-06 4.99176867e-01] [9.99968391e-01 9.99963338e-01 4.99176867e-01] [6.66758566e-01 3.33939855e-01 8.24147652e-01] [6.66060145e-01 3.32818712e-01 8.24147652e-01] [6.67181288e-01 3.33241434e-01 8.24147652e-01] [6.66060145e-01 3.33241434e-01 1.75852348e-01] [6.67181288e-01 3.33939855e-01 1.75852348e-01] [6.66758566e-01 3.32818712e-01 1.75852348e-01] [6.67550749e-01 3.33991483e-01 8.22836945e-01] [6.66008517e-01 3.33559265e-01 8.22836945e-01] [6.66440735e-01 3.32449251e-01 8.22836945e-01] [6.66008517e-01 3.32449251e-01 1.77163055e-01] [6.66440735e-01 3.33991483e-01 1.77163055e-01] [6.67550749e-01 3.33559265e-01 1.77163055e-01]] cellpar = Cell([[4.129385330167694, 3.544937927423228e-18, 4.42927994138268e-37], [-2.064692665083847, 3.576152597940015, -3.2644817279130926e-35], [-5.67918042025927e-37, 1.5069350680159379e-34, 19.764282725735132]]) forces = [[-9.55751127e-66 2.53602595e-63 3.32613759e-28] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-8.89517575e-27 4.33578162e-35 5.68661620e+00] [ 2.22379394e-27 -4.33578162e-35 -5.68661620e+00] [ 1.03197282e-38 -2.73827546e-36 -3.59139896e-01] [-1.03197282e-38 2.73827546e-36 3.59139896e-01] [ 4.92491490e+00 -6.31314261e-01 -6.50336118e+00] [-1.91572326e+00 4.58075855e+00 -6.50336118e+00] [-3.00919164e+00 -3.94944429e+00 -6.50336118e+00] [ 3.00919164e+00 -3.94944429e+00 6.50336118e+00] [-4.92491490e+00 -6.31314261e-01 6.50336118e+00] [ 1.91572326e+00 4.58075855e+00 6.50336118e+00] [-1.95618385e-01 -1.41032972e+01 -2.95065547e+00] [ 1.23116229e+01 6.88223813e+00 -2.95065547e+00] [-1.21160045e+01 7.22105911e+00 -2.95065547e+00] [ 1.21160045e+01 7.22105911e+00 2.95065547e+00] [ 1.95618385e-01 -1.41032972e+01 2.95065547e+00] [-1.23116229e+01 6.88223813e+00 2.95065547e+00] [-1.49355938e+01 -8.93691150e+00 6.62136364e-02] [ 1.52073893e+01 -8.46614786e+00 6.62136364e-02] [-2.71795510e-01 1.74030594e+01 6.62136364e-02] [ 2.71795510e-01 1.74030594e+01 -6.62136364e-02] [ 1.49355938e+01 -8.93691150e+00 -6.62136364e-02] [-1.52073893e+01 -8.46614786e+00 -6.62136364e-02]] stress = [-3.53969629e-02 -3.53969629e-02 3.14581012e-01 -1.58443972e-37 -1.17115587e-36 3.29378515e-18] energy per atom = -13.532811943958258 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0