element(s): ['O'] AFLOW prototype label: A_mC16_12_2ij Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.8714', '0.72872376', '0.90691435', '149.5346', '0.035798797', '0.8320927', '0.27785058', '0.13359954', '0.37903066', '0.26389389', '0.84925787'] model name: Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_MgO__SM_152356670345_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O'] representative atom coordinates = [[0.7962939 0. 0.76049511] [0.85574896 0. 0.57789838] [0.97022721 0.76389389 0.09119655]] spacegroup = 12 cell = [[9.5678, 0, 0], [0, 6.4648, 0], [-2.4667174184809, 0, 3.7823205228224]] ========================================= Step Time Energy fmax BFGS: 0 16:19:06 -308.272009 28.471744 BFGS: 1 16:19:06 -328.327660 27.674613 BFGS: 2 16:19:06 -348.211841 28.073575 BFGS: 3 16:19:06 -367.744811 27.617334 BFGS: 4 16:19:06 -384.508759 26.639177 BFGS: 5 16:19:06 -395.123155 26.959135 BFGS: 6 16:19:06 -402.127011 27.000971 BFGS: 7 16:19:06 -407.105313 26.911814 BFGS: 8 16:19:07 -410.834146 26.752862 BFGS: 9 16:19:07 -413.733992 26.553560 BFGS: 10 16:19:07 -416.050509 26.329876 BFGS: 11 16:19:07 -417.935759 26.091408 BFGS: 12 16:19:07 -419.496308 25.844298 BFGS: 13 16:19:07 -420.800810 25.592850 BFGS: 14 16:19:08 -421.901982 25.340254 BFGS: 15 16:19:08 -422.837758 25.088998 BFGS: 16 16:19:08 -423.637350 24.841132 BFGS: 17 16:19:09 -424.324999 24.598396 BFGS: 18 16:19:09 -424.920083 24.362313 BFGS: 19 16:19:09 -425.437790 24.134173 BFGS: 20 16:19:09 -425.893423 23.915063 BFGS: 21 16:19:10 -426.298643 23.705757 BFGS: 22 16:19:10 -426.665774 23.506685 BFGS: 23 16:19:10 -427.008052 23.317780 BFGS: 24 16:19:10 -427.333812 23.973224 BFGS: 25 16:19:10 -427.612112 22.947563 BFGS: 26 16:19:10 -428.245680 23.603170 BFGS: 27 16:19:10 -428.697887 22.587780 BFGS: 28 16:19:10 -429.480802 22.413476 BFGS: 29 16:19:10 -430.149704 22.239717 BFGS: 30 16:19:11 -430.738403 22.065729 BFGS: 31 16:19:11 -431.268913 21.890545 BFGS: 32 16:19:11 -431.756603 21.713145 BFGS: 33 16:19:11 -432.211529 21.532559 BFGS: 34 16:19:11 -432.639845 21.347937 BFGS: 35 16:19:11 -433.044756 21.158608 BFGS: 36 16:19:11 -433.425536 20.964093 BFGS: 37 16:19:11 -433.785551 20.764105 BFGS: 38 16:19:11 -434.121445 20.558526 BFGS: 39 16:19:12 -434.431342 20.347412 BFGS: 40 16:19:12 -434.711750 20.130961 BFGS: 41 16:19:12 -434.962238 19.909502 BFGS: 42 16:19:12 -435.179356 19.683450 BFGS: 43 16:19:12 -435.361632 19.453293 BFGS: 44 16:19:13 -435.508136 19.219577 BFGS: 45 16:19:13 -435.617996 18.982866 BFGS: 46 16:19:13 -435.690574 18.743734 BFGS: 47 16:19:13 -435.724768 18.502736 BFGS: 48 16:19:13 -435.721030 18.260425 BFGS: 49 16:19:13 -435.678791 18.017317 BFGS: 50 16:19:13 -435.598407 17.773892 BFGS: 51 16:19:14 -435.481938 17.530618 BFGS: 52 16:19:14 -435.329582 17.287898 BFGS: 53 16:19:14 -435.142381 17.046115 BFGS: 54 16:19:14 -434.921624 16.805597 BFGS: 55 16:19:14 -434.667808 16.566650 BFGS: 56 16:19:15 -434.383500 16.329548 BFGS: 57 16:19:15 -434.069000 16.094518 BFGS: 58 16:19:15 -433.725159 15.861782 BFGS: 59 16:19:15 -433.354792 15.631518 BFGS: 60 16:19:15 -432.958794 15.403866 BFGS: 61 16:19:15 -432.537953 15.178964 BFGS: 62 16:19:15 -432.093672 14.956911 BFGS: 63 16:19:15 -431.626698 14.323835 BFGS: 64 16:19:16 -431.205958 14.106148 BFGS: 65 16:19:16 -430.757201 13.892205 BFGS: 66 16:19:16 -430.283074 13.681977 BFGS: 67 16:19:16 -429.784951 13.475415 BFGS: 68 16:19:16 -429.264582 13.272478 BFGS: 69 16:19:16 -428.724023 13.073124 BFGS: 70 16:19:16 -428.162420 12.877291 BFGS: 71 16:19:16 -427.586091 12.684943 BFGS: 72 16:19:17 -426.993316 12.495991 BFGS: 73 16:19:17 -426.386489 12.310405 BFGS: 74 16:19:17 -425.766302 12.128100 BFGS: 75 16:19:17 -425.133384 11.949016 BFGS: 76 16:19:18 -424.489006 11.773089 BFGS: 77 16:19:18 -423.834268 11.600254 BFGS: 78 16:19:18 -423.169949 11.430453 BFGS: 79 16:19:18 -422.496682 11.263616 BFGS: 80 16:19:18 -421.815193 11.099679 BFGS: 81 16:19:18 -421.126098 10.938586 BFGS: 82 16:19:19 -420.428530 10.780258 BFGS: 83 16:19:19 -419.725484 10.624664 BFGS: 84 16:19:19 -419.017191 10.471739 BFGS: 85 16:19:19 -418.303511 10.321423 BFGS: 86 16:19:19 -417.584903 10.173655 BFGS: 87 16:19:20 -416.861811 10.028386 BFGS: 88 16:19:20 -416.134638 9.885565 BFGS: 89 16:19:20 -415.403103 9.745125 BFGS: 90 16:19:20 -414.668786 9.607060 BFGS: 91 16:19:20 -413.930387 9.471269 BFGS: 92 16:19:20 -413.189001 9.337752 BFGS: 93 16:19:20 -412.445764 9.206468 BFGS: 94 16:19:20 -411.700872 9.077363 BFGS: 95 16:19:21 -410.952790 8.950358 BFGS: 96 16:19:21 -410.202929 8.825482 BFGS: 97 16:19:21 -409.452117 8.702643 BFGS: 98 16:19:21 -408.699935 8.581813 BFGS: 99 16:19:21 -407.947157 8.462963 BFGS: 100 16:19:21 -407.193372 8.346043 BFGS: 101 16:19:21 -406.438178 8.231008 BFGS: 102 16:19:21 -405.682808 8.117844 BFGS: 103 16:19:21 -404.926890 8.006505 BFGS: 104 16:19:21 -404.170033 7.896940 BFGS: 105 16:19:22 -403.412789 7.789139 BFGS: 106 16:19:22 -402.656022 7.683065 BFGS: 107 16:19:22 -401.899170 7.578681 BFGS: 108 16:19:22 -401.142369 7.475951 BFGS: 109 16:19:22 -400.385701 7.374844 BFGS: 110 16:19:22 -399.628717 7.275317 BFGS: 111 16:19:22 -398.872662 7.177366 BFGS: 112 16:19:22 -398.115844 7.080938 BFGS: 113 16:19:22 -397.360755 6.986026 BFGS: 114 16:19:22 -396.606239 6.892591 BFGS: 115 16:19:22 -395.851834 6.800603 BFGS: 116 16:19:23 -395.098500 6.710028 BFGS: 117 16:19:23 -394.346286 6.620867 BFGS: 118 16:19:23 -393.594971 6.533082 BFGS: 119 16:19:23 -392.844638 6.446649 BFGS: 120 16:19:23 -392.095362 6.361546 BFGS: 121 16:19:23 -391.347257 6.277751 BFGS: 122 16:19:23 -390.600384 6.195259 BFGS: 123 16:19:23 -389.856276 6.114196 BFGS: 124 16:19:23 -389.114892 6.034532 BFGS: 125 16:19:23 -388.376215 5.956230 BFGS: 126 16:19:23 -387.640191 5.879262 BFGS: 127 16:19:23 -386.906847 5.803596 BFGS: 128 16:19:24 -386.176111 5.729204 BFGS: 129 16:19:24 -385.447959 5.656062 BFGS: 130 16:19:24 -384.722384 5.584140 BFGS: 131 16:19:24 -383.999383 5.513414 BFGS: 132 16:19:24 -383.276649 5.443728 BFGS: 133 16:19:24 -382.558660 5.375349 BFGS: 134 16:19:24 -381.842184 5.234058 BFGS: 135 16:19:24 -381.133773 5.242342 BFGS: 136 16:19:24 -380.423061 5.103953 BFGS: 137 16:19:24 -379.719150 4.752766 BFGS: 138 16:19:24 -379.036620 4.693694 BFGS: 139 16:19:24 -378.354511 4.635527 BFGS: 140 16:19:25 -377.673616 4.578266 BFGS: 141 16:19:25 -376.993726 4.521898 BFGS: 142 16:19:25 -376.315000 4.466410 BFGS: 143 16:19:25 -375.637561 4.411791 BFGS: 144 16:19:25 -374.961973 4.358075 BFGS: 145 16:19:25 -374.288868 4.305291 BFGS: 146 16:19:25 -373.618083 4.253421 BFGS: 147 16:19:25 -372.950033 4.202471 BFGS: 148 16:19:25 -372.285172 4.152421 BFGS: 149 16:19:25 -371.623226 4.103264 BFGS: 150 16:19:25 -370.964358 4.054986 BFGS: 151 16:19:25 -370.308663 4.007577 BFGS: 152 16:19:26 -369.656181 3.961027 BFGS: 153 16:19:26 -369.005883 3.915316 BFGS: 154 16:19:26 -368.360198 3.870447 BFGS: 155 16:19:26 -367.717596 3.965634 BFGS: 156 16:19:26 -367.074361 3.782685 BFGS: 157 16:19:26 -366.446814 3.741044 BFGS: 158 16:19:27 -365.822037 3.700137 BFGS: 159 16:19:27 -365.200756 3.659953 BFGS: 160 16:19:27 -364.583057 3.620487 BFGS: 161 16:19:27 -363.967233 3.581712 BFGS: 162 16:19:28 -363.357159 3.543639 BFGS: 163 16:19:28 -362.751136 3.506266 BFGS: 164 16:19:28 -362.148911 3.469565 BFGS: 165 16:19:28 -361.550513 3.447250 BFGS: 166 16:19:29 -360.956019 3.426986 BFGS: 167 16:19:29 -360.365407 3.406698 BFGS: 168 16:19:29 -359.778731 3.386374 BFGS: 169 16:19:29 -359.196008 3.365994 BFGS: 170 16:19:29 -358.616648 3.345545 BFGS: 171 16:19:29 -358.041847 3.325029 BFGS: 172 16:19:30 -357.470737 3.304441 BFGS: 173 16:19:30 -356.903872 3.283741 BFGS: 174 16:19:30 -356.340985 3.262941 BFGS: 175 16:19:30 -355.782052 3.242036 BFGS: 176 16:19:30 -355.226503 3.221022 BFGS: 177 16:19:31 -354.675467 3.199893 BFGS: 178 16:19:31 -354.128307 3.178651 BFGS: 179 16:19:31 -353.584497 3.157276 BFGS: 180 16:19:31 -353.045125 3.135809 BFGS: 181 16:19:31 -352.509574 3.114230 BFGS: 182 16:19:32 -351.977829 3.092541 BFGS: 183 16:19:32 -351.449834 3.070750 BFGS: 184 16:19:32 -350.925585 3.048856 BFGS: 185 16:19:32 -350.405018 3.026875 BFGS: 186 16:19:32 -349.888098 3.004810 BFGS: 187 16:19:33 -349.374671 2.982683 BFGS: 188 16:19:33 -348.880206 2.956736 BFGS: 189 16:19:33 -348.389057 2.930823 BFGS: 190 16:19:33 -347.901203 2.904967 BFGS: 191 16:19:33 -347.416611 2.879186 BFGS: 192 16:19:34 -346.935209 2.853505 BFGS: 193 16:19:34 -346.456965 2.827936 BFGS: 194 16:19:34 -345.981253 2.802494 BFGS: 195 16:19:34 -345.509142 2.777209 BFGS: 196 16:19:34 -345.040035 2.752907 BFGS: 197 16:19:34 -344.573319 2.731039 BFGS: 198 16:19:35 -344.109454 2.709346 BFGS: 199 16:19:35 -343.648720 2.687806 BFGS: 200 16:19:35 -343.190765 2.666437 BFGS: 201 16:19:35 -342.735805 2.645234 BFGS: 202 16:19:35 -342.282369 2.624196 BFGS: 203 16:19:35 -341.832697 2.603329 BFGS: 204 16:19:36 -341.385595 2.582640 BFGS: 205 16:19:36 -340.940997 2.562137 BFGS: 206 16:19:36 -340.498870 2.541823 BFGS: 207 16:19:36 -340.058589 2.521679 BFGS: 208 16:19:36 -339.621250 2.501778 BFGS: 209 16:19:36 -339.186248 2.482084 BFGS: 210 16:19:36 -338.753525 2.462604 BFGS: 211 16:19:37 -338.322488 2.443335 BFGS: 212 16:19:37 -337.894237 2.424305 BFGS: 213 16:19:37 -337.468154 2.405507 BFGS: 214 16:19:37 -337.044213 2.386949 BFGS: 215 16:19:38 -336.622384 2.368632 BFGS: 216 16:19:38 -336.202629 2.350560 BFGS: 217 16:19:38 -335.784931 2.332738 BFGS: 218 16:19:38 -335.368685 2.315169 BFGS: 219 16:19:38 -334.955009 2.297853 BFGS: 220 16:19:39 -334.543307 2.280794 BFGS: 221 16:19:39 -334.133579 2.263994 BFGS: 222 16:19:39 -333.725789 2.247451 BFGS: 223 16:19:39 -333.319906 2.231169 BFGS: 224 16:19:39 -332.915926 2.215144 BFGS: 225 16:19:39 -332.513851 2.199375 BFGS: 226 16:19:40 -332.113377 2.183872 BFGS: 227 16:19:40 -331.715044 2.168599 BFGS: 228 16:19:40 -331.318565 2.153581 BFGS: 229 16:19:40 -330.923950 2.138812 BFGS: 230 16:19:40 -330.531162 2.124284 BFGS: 231 16:19:40 -330.140220 2.109993 BFGS: 232 16:19:40 -329.751097 2.095938 BFGS: 233 16:19:41 -329.363804 2.082109 BFGS: 234 16:19:41 -328.978307 2.068504 BFGS: 235 16:19:41 -328.594083 2.055114 BFGS: 236 16:19:41 -328.212203 2.041934 BFGS: 237 16:19:41 -327.832142 2.028957 BFGS: 238 16:19:41 -327.453875 2.016177 BFGS: 239 16:19:42 -327.077401 2.003587 BFGS: 240 16:19:42 -326.702712 1.991179 BFGS: 241 16:19:42 -326.329823 1.978947 BFGS: 242 16:19:42 -325.958156 1.966843 BFGS: 243 16:19:42 -325.588829 1.954946 BFGS: 244 16:19:42 -325.221274 1.943201 BFGS: 245 16:19:42 -324.855491 1.931601 BFGS: 246 16:19:43 -324.491480 1.920140 BFGS: 247 16:19:43 -324.129235 1.908807 BFGS: 248 16:19:43 -323.768759 1.897599 BFGS: 249 16:19:43 -323.410027 1.886823 BFGS: 250 16:19:43 -323.053054 1.883915 BFGS: 251 16:19:43 -322.697821 1.881026 BFGS: 252 16:19:43 -322.344326 1.878144 BFGS: 253 16:19:44 -321.992564 1.875259 BFGS: 254 16:19:44 -321.642535 1.872357 BFGS: 255 16:19:44 -321.294222 1.869429 BFGS: 256 16:19:44 -320.947617 1.866466 BFGS: 257 16:19:44 -320.602714 1.863458 BFGS: 258 16:19:44 -320.259513 1.860394 BFGS: 259 16:19:45 -319.917983 1.857268 BFGS: 260 16:19:45 -319.578142 1.854071 BFGS: 261 16:19:45 -319.239962 1.850794 BFGS: 262 16:19:45 -318.903420 1.847435 BFGS: 263 16:19:45 -318.568559 1.843976 BFGS: 264 16:19:45 -318.235287 1.840423 BFGS: 265 16:19:45 -317.903673 1.836758 BFGS: 266 16:19:46 -317.573643 1.832985 BFGS: 267 16:19:46 -317.245226 1.829094 BFGS: 268 16:19:46 -316.918396 1.825080 BFGS: 269 16:19:46 -316.593121 1.820940 BFGS: 270 16:19:46 -316.269422 1.816667 BFGS: 271 16:19:46 -315.947246 1.812262 BFGS: 272 16:19:46 -315.626601 1.807712 BFGS: 273 16:19:47 -315.307468 1.803022 BFGS: 274 16:19:47 -314.989848 1.798187 BFGS: 275 16:19:47 -314.673712 1.793198 BFGS: 276 16:19:47 -314.359034 1.788062 BFGS: 277 16:19:47 -314.045829 1.782765 BFGS: 278 16:19:47 -313.733782 1.777323 BFGS: 279 16:19:48 -313.423424 1.771715 BFGS: 280 16:19:48 -313.114481 1.765940 BFGS: 281 16:19:48 -312.806912 1.759999 BFGS: 282 16:19:48 -312.500720 1.753893 BFGS: 283 16:19:48 -312.195885 1.747617 BFGS: 284 16:19:48 -311.892390 1.741171 BFGS: 285 16:19:48 -311.590218 1.734557 BFGS: 286 16:19:49 -311.289348 1.727767 BFGS: 287 16:19:49 -310.989772 1.720802 BFGS: 288 16:19:49 -310.691444 1.713665 BFGS: 289 16:19:49 -310.394403 1.706350 BFGS: 290 16:19:49 -310.098573 1.698859 BFGS: 291 16:19:49 -309.803968 1.691205 BFGS: 292 16:19:50 -309.517179 1.682752 BFGS: 293 16:19:50 -309.231599 1.674102 BFGS: 294 16:19:50 -308.946646 1.665263 BFGS: 295 16:19:50 -308.663390 1.656234 BFGS: 296 16:19:50 -308.381274 1.647018 BFGS: 297 16:19:50 -308.100264 1.637622 BFGS: 298 16:19:51 -307.820680 1.628031 BFGS: 299 16:19:51 -307.539228 1.618159 BFGS: 300 16:19:51 -307.265829 1.607463 BFGS: 301 16:19:51 -306.993404 1.596581 BFGS: 302 16:19:51 -306.721925 1.585519 BFGS: 303 16:19:51 -306.451370 1.574283 BFGS: 304 16:19:52 -306.181731 1.562876 BFGS: 305 16:19:52 -305.912984 1.551294 BFGS: 306 16:19:52 -305.645108 1.539538 BFGS: 307 16:19:52 -305.378089 1.527613 BFGS: 308 16:19:52 -305.111916 1.515514 BFGS: 309 16:19:53 -304.846558 1.503241 BFGS: 310 16:19:53 -304.581999 1.490793 BFGS: 311 16:19:53 -304.318658 1.478170 BFGS: 312 16:19:53 -304.052143 1.465282 BFGS: 313 16:19:53 -303.794186 1.451476 BFGS: 314 16:19:53 -303.536886 1.437488 BFGS: 315 16:19:54 -303.280212 1.423325 BFGS: 316 16:19:54 -303.024161 1.408982 BFGS: 317 16:19:54 -302.768455 1.394440 BFGS: 318 16:19:54 -302.513580 1.379739 BFGS: 319 16:19:54 -302.259284 1.364857 BFGS: 320 16:19:54 -302.005012 1.349813 BFGS: 321 16:19:55 -301.751794 1.334557 BFGS: 322 16:19:55 -301.499082 1.319121 BFGS: 323 16:19:55 -301.248272 1.303520 BFGS: 324 16:19:55 -300.992254 1.287664 BFGS: 325 16:19:55 -300.746569 1.270787 BFGS: 326 16:19:56 -300.495225 1.253693 BFGS: 327 16:19:56 -300.252811 1.235544 BFGS: 328 16:19:56 -300.010648 1.217217 BFGS: 329 16:19:56 -299.768747 1.198703 BFGS: 330 16:19:56 -299.527059 1.180009 BFGS: 331 16:19:56 -299.285539 1.161131 BFGS: 332 16:19:57 -299.054806 1.140635 BFGS: 333 16:19:57 -298.823630 1.119830 BFGS: 334 16:19:57 -298.593059 1.098875 BFGS: 335 16:19:57 -298.363334 1.077677 BFGS: 336 16:19:57 -298.133251 1.056227 BFGS: 337 16:19:58 -297.900946 1.035012 BFGS: 338 16:19:58 -297.685536 1.011025 BFGS: 339 16:19:58 -297.469594 0.986716 BFGS: 340 16:19:58 -297.255308 0.962067 BFGS: 341 16:19:59 -297.041103 0.937073 BFGS: 342 16:19:59 -296.828376 0.911705 BFGS: 343 16:19:59 -296.609822 0.885905 BFGS: 344 16:19:59 -296.409401 0.856962 BFGS: 345 16:19:59 -296.209537 0.827650 BFGS: 346 16:20:00 -296.010302 0.797959 BFGS: 347 16:20:00 -295.812061 0.767854 BFGS: 348 16:20:00 -295.605213 0.737947 BFGS: 349 16:20:00 -295.419513 0.704265 BFGS: 350 16:20:00 -295.234889 0.670136 BFGS: 351 16:20:01 -295.051821 0.635528 BFGS: 352 16:20:01 -294.855698 0.602155 BFGS: 353 16:20:02 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0.113324 BFGS: 4921 16:25:58 -300.882941 0.112613 BFGS: 4922 16:25:58 -301.214261 0.047637 BFGS: 4923 16:25:58 -301.144347 0.020597 BFGS: 4924 16:25:58 -301.040164 0.006780 BFGS: 4925 16:25:58 -300.979684 0.008346 BFGS: 4926 16:25:59 -300.881604 0.072235 BFGS: 4927 16:25:59 -300.744461 0.066955 BFGS: 4928 16:25:59 -300.491571 0.128235 BFGS: 4929 16:25:59 -300.675179 0.121345 BFGS: 4930 16:25:59 -301.079123 0.024609 BFGS: 4931 16:25:59 -301.018652 0.012440 BFGS: 4932 16:25:59 -300.930618 0.002999 BFGS: 4933 16:25:59 -300.913848 0.003060 BFGS: 4934 16:25:59 -300.866083 0.113334 BFGS: 4935 16:25:59 -300.912244 0.002078 BFGS: 4936 16:25:59 -300.910792 0.002049 BFGS: 4937 16:25:59 -300.868291 0.113462 BFGS: 4938 16:25:59 -300.909494 0.002025 BFGS: 4939 16:25:59 -300.908269 0.002002 BFGS: 4940 16:25:59 -300.864825 0.113458 BFGS: 4941 16:25:59 -300.907014 0.001979 BFGS: 4942 16:25:59 -300.905829 0.001957 BFGS: 4943 16:25:59 -300.864797 0.113450 BFGS: 4944 16:25:59 -300.904708 0.001936 BFGS: 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5018 16:26:01 -301.088823 0.015205 BFGS: 5019 16:26:01 -301.062357 0.008014 BFGS: 5020 16:26:01 -301.007105 0.004804 BFGS: 5021 16:26:01 -300.927648 0.004696 BFGS: 5022 16:26:01 -300.874052 0.113463 BFGS: 5023 16:26:01 -300.925349 0.002320 BFGS: 5024 16:26:01 -300.923312 0.002282 BFGS: 5025 16:26:01 -300.895405 0.111854 BFGS: 5026 16:26:01 -300.922216 0.002262 BFGS: 5027 16:26:01 -300.921184 0.002243 BFGS: 5028 16:26:01 -300.866331 0.004650 BFGS: 5029 16:26:01 -300.654094 0.124389 BFGS: 5030 16:26:01 -300.857163 0.113804 BFGS: 5031 16:26:01 -301.038851 0.008410 BFGS: 5032 16:26:01 -301.019095 0.006594 BFGS: 5033 16:26:01 -300.891709 0.003270 BFGS: 5034 16:26:01 -300.882837 0.002677 BFGS: 5035 16:26:01 -300.864931 0.113425 BFGS: 5036 16:26:01 -300.884117 0.111190 BFGS: 5037 16:26:01 -301.166473 0.029992 BFGS: 5038 16:26:01 -301.135177 0.018326 BFGS: 5039 16:26:01 -301.051908 0.006969 BFGS: 5040 16:26:01 -300.982568 0.075538 BFGS: 5041 16:26:01 -300.892456 0.073178 BFGS: 5042 16:26:01 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0.019423 BFGS: 5505 16:26:14 -300.910891 0.010992 BFGS: 5506 16:26:14 -300.901576 0.005972 BFGS: 5507 16:26:14 -300.899364 0.112121 BFGS: 5508 16:26:14 -300.901163 0.112069 BFGS: 5509 16:26:14 -300.922918 0.022646 BFGS: 5510 16:26:14 -300.912380 0.012684 BFGS: 5511 16:26:14 -300.901124 0.112036 BFGS: 5512 16:26:14 -300.908641 0.009414 BFGS: 5513 16:26:14 -300.906701 0.007755 BFGS: 5514 16:26:14 -300.900383 0.006023 BFGS: 5515 16:26:14 -300.897464 0.112130 BFGS: 5516 16:26:14 -300.899960 0.112078 BFGS: 5517 16:26:14 -300.928629 0.028937 BFGS: 5518 16:26:14 -300.914285 0.015081 BFGS: 5519 16:26:14 -300.899548 0.112066 BFGS: 5520 16:26:15 -300.909293 0.010296 BFGS: 5521 16:26:15 -300.906771 0.007864 BFGS: 5522 16:26:15 -300.899204 0.112128 BFGS: 5523 16:26:15 -300.905375 0.072961 BFGS: 5524 16:26:15 -300.902278 0.003429 BFGS: 5525 16:26:15 -300.901840 0.002934 BFGS: 5526 16:26:15 -300.899197 0.112209 BFGS: 5527 16:26:15 -300.901570 0.002597 BFGS: 5528 16:26:15 -300.901690 0.112090 BFGS: 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0.003596 BFGS: 5578 16:26:15 -300.902728 0.003620 BFGS: 5579 16:26:15 -300.902703 0.111999 BFGS: 5580 16:26:15 -300.902684 0.003609 BFGS: 5581 16:26:15 -300.902647 0.003589 BFGS: 5582 16:26:15 -300.901381 0.006168 BFGS: 5583 16:26:15 -300.896884 0.111775 BFGS: 5584 16:26:15 -300.900837 0.111950 BFGS: 5585 16:26:15 -300.922107 0.020271 BFGS: 5586 16:26:16 -300.911610 0.011566 BFGS: 5587 16:26:16 -300.900956 0.111739 BFGS: 5588 16:26:16 -300.908029 0.008651 BFGS: 5589 16:26:16 -300.906216 0.007127 BFGS: 5590 16:26:16 -300.900738 0.111770 BFGS: 5591 16:26:16 -300.905064 0.006105 BFGS: 5592 16:26:16 -300.904476 0.072999 BFGS: 5593 16:26:16 -300.902986 0.003493 BFGS: 5594 16:26:16 -300.902794 0.003332 BFGS: 5595 16:26:16 -300.901042 0.001981 BFGS: 5596 16:26:16 -300.900214 0.001820 BFGS: 5597 16:26:16 -300.898976 0.001822 BFGS: 5598 16:26:16 -300.899108 0.112298 BFGS: 5599 16:26:16 -300.899628 0.007360 BFGS: 5600 16:26:16 -300.899672 0.005816 BFGS: 5601 16:26:16 -300.899434 0.112162 BFGS: 5602 16:26:16 -300.899693 0.006212 BFGS: 5603 16:26:16 -300.899472 0.112156 BFGS: 5604 16:26:16 -300.899505 0.112339 BFGS: 5605 16:26:16 -300.899583 0.112476 BFGS: 5606 16:26:16 -300.899901 0.003527 BFGS: 5607 16:26:16 -300.900032 0.112626 BFGS: 5608 16:26:16 -300.900180 0.112339 BFGS: 5609 16:26:16 -300.901416 0.111181 BFGS: 5610 16:26:16 -300.903531 0.110253 BFGS: 5611 16:26:16 -300.910178 0.014930 BFGS: 5612 16:26:16 -300.907114 0.110377 BFGS: 5613 16:26:16 -300.908090 0.009069 BFGS: 5614 16:26:16 -300.907731 0.008698 BFGS: 5615 16:26:16 -300.907402 0.072806 BFGS: 5616 16:26:16 -300.906398 0.007017 BFGS: 5617 16:26:16 -300.906335 0.072988 BFGS: 5618 16:26:16 -300.905777 0.006397 BFGS: 5619 16:26:16 -300.905657 0.006429 BFGS: 5620 16:26:16 -300.904576 0.006393 BFGS: 5621 16:26:16 -300.904052 0.112074 BFGS: 5622 16:26:16 -300.904444 0.005889 BFGS: 5623 16:26:16 -300.904344 0.005589 BFGS: 5624 16:26:16 -300.903518 0.003941 BFGS: 5625 16:26:16 -300.902828 0.003104 BFGS: 5626 16:26:16 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0.004903 BFGS: 5651 16:26:17 -300.899186 0.112188 BFGS: 5652 16:26:17 -300.903444 0.072885 BFGS: 5653 16:26:17 -300.901866 0.005984 BFGS: 5654 16:26:17 -300.901255 0.112111 BFGS: 5655 16:26:17 -300.901601 0.112098 BFGS: 5656 16:26:17 -300.929405 0.031600 BFGS: 5657 16:26:17 -300.914857 0.016262 BFGS: 5658 16:26:17 -300.899138 0.112163 BFGS: 5659 16:26:17 -300.909388 0.010528 BFGS: 5660 16:26:17 -300.906699 0.007720 BFGS: 5661 16:26:17 -300.899180 0.112184 BFGS: 5662 16:26:18 -300.905303 0.072942 BFGS: 5663 16:26:18 -300.902229 0.003148 BFGS: 5664 16:26:18 -300.901997 0.072840 BFGS: 5665 16:26:18 -300.901294 0.001977 BFGS: 5666 16:26:18 -300.901581 0.112104 BFGS: 5667 16:26:18 -300.901640 0.112104 BFGS: 5668 16:26:18 -300.902343 0.112065 BFGS: 5669 16:26:18 -300.906645 0.111853 BFGS: 5670 16:26:18 -300.913987 0.111554 BFGS: 5671 16:26:18 -300.924342 0.031198 BFGS: 5672 16:26:18 -300.917993 0.021898 BFGS: 5673 16:26:18 -300.901987 0.072783 BFGS: 5674 16:26:18 -300.446055 0.481049 BFGS: 5675 16:26:18 -300.885048 0.018972 BFGS: 5676 16:26:18 -300.898927 0.002021 BFGS: 5677 16:26:18 -300.899693 0.001832 BFGS: 5678 16:26:18 -300.900003 0.072717 BFGS: 5679 16:26:18 -300.899181 0.114228 BFGS: 5680 16:26:18 -300.899981 0.112235 BFGS: 5681 16:26:18 -300.900447 0.006007 BFGS: 5682 16:26:19 -300.900205 0.112138 BFGS: 5683 16:26:19 -300.900263 0.112253 BFGS: 5684 16:26:19 -300.900319 0.112216 BFGS: 5685 16:26:19 -300.901496 0.002517 BFGS: 5686 16:26:19 -300.901190 0.001863 BFGS: 5687 16:26:19 -300.901491 0.005943 BFGS: 5688 16:26:19 -300.901147 0.005829 BFGS: 5689 16:26:19 -300.900733 0.112234 BFGS: 5690 16:26:19 -300.900911 0.112120 BFGS: 5691 16:26:19 -300.902268 0.003179 BFGS: 5692 16:26:19 -300.901844 0.002238 BFGS: 5693 16:26:19 -300.901767 0.112133 BFGS: 5694 16:26:19 -300.901783 0.002565 BFGS: 5695 16:26:19 -300.901943 0.072840 BFGS: 5696 16:26:19 -300.901707 0.002615 BFGS: 5697 16:26:19 -300.901701 0.002592 BFGS: 5698 16:26:19 -300.901757 0.072901 BFGS: 5699 16:26:19 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0.073098 BFGS: 5724 16:26:21 -300.910378 0.012031 BFGS: 5725 16:26:21 -300.905174 0.006025 BFGS: 5726 16:26:21 -300.899687 0.006019 BFGS: 5727 16:26:21 -300.896963 0.112163 BFGS: 5728 16:26:21 -300.899328 0.112110 BFGS: 5729 16:26:21 -300.929262 0.031972 BFGS: 5730 16:26:21 -300.914228 0.015695 BFGS: 5731 16:26:21 -300.899193 0.112088 BFGS: 5732 16:26:21 -300.909125 0.010252 BFGS: 5733 16:26:21 -300.906564 0.007551 BFGS: 5734 16:26:21 -300.899184 0.112153 BFGS: 5735 16:26:21 -300.905022 0.005956 BFGS: 5736 16:26:21 -300.903993 0.004897 BFGS: 5737 16:26:21 -300.899184 0.112189 BFGS: 5738 16:26:21 -300.903258 0.004152 BFGS: 5739 16:26:21 -300.902706 0.003596 BFGS: 5740 16:26:21 -300.899187 0.112195 BFGS: 5741 16:26:21 -300.902277 0.003168 BFGS: 5742 16:26:21 -300.901933 0.002829 BFGS: 5743 16:26:21 -300.899186 0.112192 BFGS: 5744 16:26:22 -300.901652 0.002554 BFGS: 5745 16:26:22 -300.901419 0.002328 BFGS: 5746 16:26:22 -300.899186 0.112189 BFGS: 5747 16:26:22 -300.901565 0.112103 BFGS: 5748 16:26:22 -300.929433 0.031655 BFGS: 5749 16:26:22 -300.914858 0.016260 BFGS: 5750 16:26:22 -300.899139 0.112178 BFGS: 5751 16:26:22 -300.909391 0.010528 BFGS: 5752 16:26:22 -300.906702 0.007722 BFGS: 5753 16:26:22 -300.899179 0.112183 BFGS: 5754 16:26:22 -300.905109 0.006067 BFGS: 5755 16:26:22 -300.904053 0.004976 BFGS: 5756 16:26:22 -300.899186 0.112187 BFGS: 5757 16:26:22 -300.903497 0.072886 BFGS: 5758 16:26:22 -300.901678 0.112097 BFGS: 5759 16:26:22 -300.902391 0.003302 BFGS: 5760 16:26:22 -300.902274 0.003171 BFGS: 5761 16:26:22 -300.899537 0.112202 BFGS: 5762 16:26:22 -300.901963 0.002853 BFGS: 5763 16:26:22 -300.901707 0.002599 BFGS: 5764 16:26:23 -300.899191 0.112194 BFGS: 5765 16:26:23 -300.901464 0.002367 BFGS: 5766 16:26:23 -300.901605 0.112102 BFGS: 5767 16:26:23 -300.901447 0.002352 BFGS: 5768 16:26:23 -300.901431 0.002338 BFGS: 5769 16:26:23 -300.899421 0.005900 BFGS: 5770 16:26:23 -300.894507 0.112337 BFGS: 5771 16:26:23 -300.898996 0.112188 BFGS: 5772 16:26:23 -300.929371 0.031326 BFGS: 5773 16:26:23 -300.914184 0.015509 BFGS: 5774 16:26:23 -300.899359 0.005914 BFGS: 5775 16:26:23 -300.897353 0.112238 BFGS: 5776 16:26:23 -300.899060 0.112180 BFGS: 5777 16:26:23 -300.929415 0.031576 BFGS: 5778 16:26:23 -300.914213 0.015582 BFGS: 5779 16:26:23 -300.899141 0.112169 BFGS: 5780 16:26:23 -300.909107 0.010234 BFGS: 5781 16:26:23 -300.906544 0.007559 BFGS: 5782 16:26:23 -300.899397 0.005890 BFGS: 5783 16:26:23 -300.897096 0.112259 BFGS: 5784 16:26:24 -300.899082 0.112189 BFGS: 5785 16:26:24 -300.929407 0.031582 BFGS: 5786 16:26:24 -300.914215 0.015582 BFGS: 5787 16:26:24 -300.899143 0.112173 BFGS: 5788 16:26:24 -300.909109 0.010233 BFGS: 5789 16:26:24 -300.906740 0.072987 BFGS: 5790 16:26:24 -300.901967 0.002191 BFGS: 5791 16:26:24 -300.901758 0.002077 BFGS: 5792 16:26:24 -300.901291 0.112038 BFGS: 5793 16:26:24 -300.902131 0.112020 BFGS: 5794 16:26:24 -300.917073 0.022755 BFGS: 5795 16:26:24 -300.910786 0.012804 BFGS: 5796 16:26:24 -300.901410 0.002523 BFGS: 5797 16:26:24 -300.900075 0.111997 BFGS: 5798 16:26:24 -300.901634 0.112015 BFGS: 5799 16:26:24 -300.919585 0.025143 BFGS: 5800 16:26:24 -300.911620 0.013506 BFGS: 5801 16:26:24 -300.900844 0.002418 BFGS: 5802 16:26:24 -300.899831 0.111971 BFGS: 5803 16:26:24 -300.901145 0.112106 BFGS: 5804 16:26:24 -300.913351 0.019141 BFGS: 5805 16:26:25 -300.908839 0.010737 BFGS: 5806 16:26:25 -300.902406 0.003343 BFGS: 5807 16:26:25 -300.900645 0.111886 BFGS: 5808 16:26:25 -300.902173 0.002951 BFGS: 5809 16:26:25 -300.901988 0.002862 BFGS: 5810 16:26:25 -300.900951 0.112284 BFGS: 5811 16:26:25 -300.901853 0.002747 BFGS: 5812 16:26:25 -300.901737 0.002643 BFGS: 5813 16:26:25 -300.899600 0.112320 BFGS: 5814 16:26:25 -300.901523 0.002434 BFGS: 5815 16:26:25 -300.901342 0.002261 BFGS: 5816 16:26:25 -300.899198 0.112207 BFGS: 5817 16:26:25 -300.901501 0.112112 BFGS: 5818 16:26:25 -300.929391 0.031631 BFGS: 5819 16:26:25 -300.914826 0.016226 BFGS: 5820 16:26:25 -300.899152 0.112205 BFGS: 5821 16:26:25 -300.909379 0.010514 BFGS: 5822 16:26:25 -300.906894 0.072987 BFGS: 5823 16:26:25 -300.902132 0.072775 BFGS: 5824 16:26:25 -300.886876 0.017295 BFGS: 5825 16:26:26 -300.892922 0.112419 BFGS: 5826 16:26:26 -300.902672 0.112073 BFGS: 5827 16:26:26 -300.917079 0.111523 BFGS: 5828 16:26:26 -300.926793 0.032428 BFGS: 5829 16:26:26 -300.920200 0.022927 BFGS: 5830 16:26:26 -300.901803 0.002277 BFGS: 5831 16:26:26 -300.899540 0.072737 BFGS: 5832 16:26:26 -300.897290 0.005796 BFGS: 5833 16:26:26 -300.897111 0.112260 BFGS: 5834 16:26:26 -300.897962 0.072313 BFGS: 5835 16:26:26 -300.897134 0.112254 BFGS: 5836 16:26:26 -300.897137 0.112256 BFGS: 5837 16:26:26 -300.897001 0.003760 BFGS: 5838 16:26:26 -300.897276 0.112362 BFGS: 5839 16:26:26 -300.897315 0.112349 BFGS: 5840 16:26:26 -300.897702 0.112251 BFGS: 5841 16:26:26 -300.898336 0.112149 BFGS: 5842 16:26:26 -300.900805 0.111856 BFGS: 5843 16:26:26 -300.906011 0.111412 BFGS: 5844 16:26:26 -300.915941 0.110835 BFGS: 5845 16:26:27 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0.002912 BFGS: 5870 16:26:28 -300.901987 0.002916 BFGS: 5871 16:26:28 -300.901694 0.002764 BFGS: 5872 16:26:28 -300.901317 0.002490 BFGS: 5873 16:26:28 -300.900649 0.112439 BFGS: 5874 16:26:28 -300.901246 0.002309 BFGS: 5875 16:26:28 -300.901530 0.112191 BFGS: 5876 16:26:28 -300.901586 0.112109 BFGS: 5877 16:26:28 -300.903124 0.007063 BFGS: 5878 16:26:28 -300.902488 0.111709 BFGS: 5879 16:26:28 -300.902437 0.003351 BFGS: 5880 16:26:28 -300.902406 0.003343 BFGS: 5881 16:26:28 -300.902357 0.003301 BFGS: 5882 16:26:28 -300.902045 0.003031 BFGS: 5883 16:26:28 -300.901412 0.002510 BFGS: 5884 16:26:28 -300.900191 0.001826 BFGS: 5885 16:26:28 -300.899425 0.112350 BFGS: 5886 16:26:28 -300.900482 0.112199 BFGS: 5887 16:26:29 -300.925712 0.074710 BFGS: 5888 16:26:29 -300.909920 0.011244 BFGS: 5889 16:26:29 -300.905060 0.006063 BFGS: 5890 16:26:29 -300.899342 0.112268 BFGS: 5891 16:26:29 -300.904035 0.005005 BFGS: 5892 16:26:29 -300.903303 0.004253 BFGS: 5893 16:26:29 -300.899222 0.112165 BFGS: 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6186 16:26:40 -300.900002 0.001834 BFGS: 6187 16:26:40 -300.899842 0.112227 BFGS: 6188 16:26:40 -300.900330 0.112183 BFGS: 6189 16:26:40 -300.910224 0.111303 BFGS: 6190 16:26:40 -300.920899 0.023534 BFGS: 6191 16:26:40 -300.915098 0.016620 BFGS: 6192 16:26:40 -300.902671 0.003562 BFGS: 6193 16:26:40 -300.900476 0.001840 BFGS: 6194 16:26:40 -300.899199 0.112218 BFGS: 6195 16:26:40 -300.900916 0.111960 BFGS: 6196 16:26:40 -300.918501 0.020429 BFGS: 6197 16:26:40 -300.911340 0.012430 BFGS: 6198 16:26:40 -300.900510 0.001841 BFGS: 6199 16:26:40 -300.899693 0.005835 BFGS: 6200 16:26:40 -300.885681 0.112232 BFGS: 6201 16:26:40 -300.898894 0.112215 BFGS: 6202 16:26:40 -300.926549 0.028502 BFGS: 6203 16:26:40 -300.913332 0.014522 BFGS: 6204 16:26:40 -300.899886 0.112027 BFGS: 6205 16:26:40 -300.908910 0.009871 BFGS: 6206 16:26:40 -300.906622 0.007489 BFGS: 6207 16:26:40 -300.899431 0.112118 BFGS: 6208 16:26:40 -300.905138 0.005955 BFGS: 6209 16:26:41 -300.904138 0.004929 BFGS: 6210 16:26:41 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0.006126 BFGS: 6235 16:26:41 -300.904248 0.005024 BFGS: 6236 16:26:42 -300.899252 0.112192 BFGS: 6237 16:26:42 -300.903479 0.004245 BFGS: 6238 16:26:42 -300.902904 0.003667 BFGS: 6239 16:26:42 -300.899255 0.112194 BFGS: 6240 16:26:42 -300.902457 0.003223 BFGS: 6241 16:26:42 -300.902101 0.002872 BFGS: 6242 16:26:42 -300.899255 0.112194 BFGS: 6243 16:26:42 -300.901809 0.002589 BFGS: 6244 16:26:42 -300.901567 0.002356 BFGS: 6245 16:26:42 -300.899257 0.112193 BFGS: 6246 16:26:42 -300.901362 0.002163 BFGS: 6247 16:26:42 -300.901531 0.112113 BFGS: 6248 16:26:42 -300.901348 0.002151 BFGS: 6249 16:26:42 -300.901336 0.002139 BFGS: 6250 16:26:42 -300.899247 0.112196 BFGS: 6251 16:26:42 -300.901508 0.112113 BFGS: 6252 16:26:42 -300.930260 0.032043 BFGS: 6253 16:26:42 -300.915276 0.016407 BFGS: 6254 16:26:42 -300.899209 0.112185 BFGS: 6255 16:26:42 -300.909701 0.010633 BFGS: 6256 16:26:42 -300.906955 0.007800 BFGS: 6257 16:26:42 -300.899250 0.112190 BFGS: 6258 16:26:42 -300.905328 0.006128 BFGS: 6259 16:26:42 -300.904248 0.005025 BFGS: 6260 16:26:42 -300.899257 0.112192 BFGS: 6261 16:26:42 -300.903479 0.004246 BFGS: 6262 16:26:42 -300.902904 0.003668 BFGS: 6263 16:26:42 -300.899259 0.112193 BFGS: 6264 16:26:43 -300.902458 0.003223 BFGS: 6265 16:26:43 -300.902102 0.002872 BFGS: 6266 16:26:43 -300.899260 0.112193 BFGS: 6267 16:26:43 -300.902006 0.072830 BFGS: 6268 16:26:43 -300.901142 0.005946 BFGS: 6269 16:26:43 -300.900719 0.112139 BFGS: 6270 16:26:43 -300.901122 0.005945 BFGS: 6271 16:26:43 -300.900887 0.112133 BFGS: 6272 16:26:43 -300.900904 0.112132 BFGS: 6273 16:26:43 -300.930066 0.031811 BFGS: 6274 16:26:43 -300.915044 0.016181 BFGS: 6275 16:26:43 -300.899251 0.112214 BFGS: 6276 16:26:43 -300.909603 0.010542 BFGS: 6277 16:26:43 -300.906906 0.007758 BFGS: 6278 16:26:43 -300.899264 0.112203 BFGS: 6279 16:26:43 -300.905297 0.006104 BFGS: 6280 16:26:43 -300.904228 0.005010 BFGS: 6281 16:26:43 -300.899264 0.112194 BFGS: 6282 16:26:43 -300.903465 0.004236 BFGS: 6283 16:26:43 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0.002465 BFGS: 6308 16:26:44 -300.901462 0.002256 BFGS: 6309 16:26:44 -300.899267 0.112196 BFGS: 6310 16:26:44 -300.901619 0.112110 BFGS: 6311 16:26:44 -300.930194 0.032017 BFGS: 6312 16:26:44 -300.915274 0.016425 BFGS: 6313 16:26:44 -300.899220 0.112186 BFGS: 6314 16:26:44 -300.909698 0.010640 BFGS: 6315 16:26:44 -300.906952 0.007804 BFGS: 6316 16:26:44 -300.899260 0.112191 BFGS: 6317 16:26:44 -300.905327 0.006131 BFGS: 6318 16:26:44 -300.904248 0.005028 BFGS: 6319 16:26:44 -300.899267 0.112193 BFGS: 6320 16:26:44 -300.903480 0.004248 BFGS: 6321 16:26:45 -300.902906 0.003670 BFGS: 6322 16:26:45 -300.899268 0.112194 BFGS: 6323 16:26:45 -300.902461 0.003226 BFGS: 6324 16:26:45 -300.902105 0.002875 BFGS: 6325 16:26:45 -300.899269 0.112194 BFGS: 6326 16:26:45 -300.901814 0.002591 BFGS: 6327 16:26:45 -300.901573 0.002359 BFGS: 6328 16:26:45 -300.899271 0.112194 BFGS: 6329 16:26:45 -300.901368 0.002166 BFGS: 6330 16:26:45 -300.901538 0.112112 BFGS: 6331 16:26:45 -300.901355 0.002153 BFGS: 6332 16:26:45 -300.901342 0.002142 BFGS: 6333 16:26:45 -300.899287 0.112200 BFGS: 6334 16:26:45 -300.901517 0.112113 BFGS: 6335 16:26:45 -300.930388 0.073715 BFGS: 6336 16:26:45 -300.911710 0.012744 BFGS: 6337 16:26:45 -300.905615 0.006411 BFGS: 6338 16:26:45 -300.899263 0.112194 BFGS: 6339 16:26:45 -300.904446 0.005227 BFGS: 6340 16:26:45 -300.903624 0.004393 BFGS: 6341 16:26:45 -300.899268 0.112193 BFGS: 6342 16:26:45 -300.903016 0.003779 BFGS: 6343 16:26:45 -300.902743 0.072853 BFGS: 6344 16:26:45 -300.901973 0.002494 BFGS: 6345 16:26:45 -300.901894 0.002621 BFGS: 6346 16:26:45 -300.901982 0.112101 BFGS: 6347 16:26:45 -300.901869 0.002636 BFGS: 6348 16:26:45 -300.901848 0.002628 BFGS: 6349 16:26:45 -300.900960 0.112101 BFGS: 6350 16:26:46 -300.901740 0.002539 BFGS: 6351 16:26:46 -300.901646 0.002456 BFGS: 6352 16:26:46 -300.899446 0.112159 BFGS: 6353 16:26:46 -300.901790 0.112100 BFGS: 6354 16:26:46 -300.929547 0.030642 BFGS: 6355 16:26:46 -300.915097 0.016038 BFGS: 6356 16:26:46 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0.072911 BFGS: 6381 16:26:47 -300.902536 0.003101 BFGS: 6382 16:26:47 -300.902428 0.003042 BFGS: 6383 16:26:47 -300.901162 0.002434 BFGS: 6384 16:26:47 -300.900704 0.072672 BFGS: 6385 16:26:47 -300.899741 0.001828 BFGS: 6386 16:26:47 -300.899919 0.072711 BFGS: 6387 16:26:47 -300.899966 0.111750 BFGS: 6388 16:26:47 -300.900330 0.005934 BFGS: 6389 16:26:47 -300.900113 0.112151 BFGS: 6390 16:26:47 -300.900117 0.112236 BFGS: 6391 16:26:47 -300.900118 0.112173 BFGS: 6392 16:26:47 -300.900122 0.112165 BFGS: 6393 16:26:47 -300.900164 0.112146 BFGS: 6394 16:26:47 -300.900215 0.112172 BFGS: 6395 16:26:47 -300.900266 0.112236 BFGS: 6396 16:26:47 -300.900278 0.112274 BFGS: 6397 16:26:47 -300.900277 0.112287 BFGS: 6398 16:26:47 -300.900276 0.112297 BFGS: 6399 16:26:47 -300.900275 0.112300 BFGS: 6400 16:26:47 -300.900273 0.112306 BFGS: 6401 16:26:47 -300.900272 0.112311 BFGS: 6402 16:26:47 -300.900271 0.112322 BFGS: 6403 16:26:47 -300.900272 0.112337 BFGS: 6404 16:26:47 -300.900280 0.112364 BFGS: 6405 16:26:47 -300.900309 0.112405 BFGS: 6406 16:26:48 -300.900399 0.112471 BFGS: 6407 16:26:48 -300.900655 0.112573 BFGS: 6408 16:26:48 -300.901009 0.006820 BFGS: 6409 16:26:48 -300.900930 0.072414 BFGS: 6410 16:26:48 -300.891421 0.103733 BFGS: 6411 16:26:48 -300.900809 0.111901 BFGS: 6412 16:26:48 -300.901423 0.112469 BFGS: 6413 16:26:48 -300.901591 0.112538 BFGS: 6414 16:26:48 -300.903315 0.112995 BFGS: 6415 16:26:48 -300.905321 0.011227 BFGS: 6416 16:26:48 -300.904316 0.007270 BFGS: 6417 16:26:48 -300.902078 0.002546 BFGS: 6418 16:26:48 -300.901941 0.002440 BFGS: 6419 16:26:48 -300.899119 0.112160 BFGS: 6420 16:26:48 -300.901721 0.002225 BFGS: 6421 16:26:48 -300.901874 0.112107 BFGS: 6422 16:26:48 -300.901707 0.002218 BFGS: 6423 16:26:48 -300.901695 0.002206 BFGS: 6424 16:26:48 -300.900073 0.112265 BFGS: 6425 16:26:48 -300.901911 0.112111 BFGS: 6426 16:26:48 -300.936451 0.034001 BFGS: 6427 16:26:48 -300.919328 0.017873 BFGS: 6428 16:26:48 -300.900242 0.112425 BFGS: 6429 16:26:48 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6478 16:26:50 -300.899204 0.005927 BFGS: 6479 16:26:50 -300.896504 0.112241 BFGS: 6480 16:26:50 -300.898873 0.112175 BFGS: 6481 16:26:50 -300.941759 0.037445 BFGS: 6482 16:26:50 -300.920359 0.018481 BFGS: 6483 16:26:50 -300.898980 0.112166 BFGS: 6484 16:26:50 -300.913167 0.012143 BFGS: 6485 16:26:50 -300.909751 0.073039 BFGS: 6486 16:26:50 -300.903415 0.072724 BFGS: 6487 16:26:50 -300.882265 0.113040 BFGS: 6488 16:26:50 -300.896457 0.112431 BFGS: 6489 16:26:50 -300.935164 0.036159 BFGS: 6490 16:26:50 -300.917519 0.016872 BFGS: 6491 16:26:50 -300.900413 0.002018 BFGS: 6492 16:26:50 -300.899514 0.002010 BFGS: 6493 16:26:51 -300.899020 0.112239 BFGS: 6494 16:26:51 -300.900339 0.111795 BFGS: 6495 16:26:51 -300.902142 0.111903 BFGS: 6496 16:26:51 -300.912887 0.010172 BFGS: 6497 16:26:51 -300.909680 0.008577 BFGS: 6498 16:26:51 -300.905482 0.111961 BFGS: 6499 16:26:51 -300.908627 0.008093 BFGS: 6500 16:26:51 -300.907906 0.007600 BFGS: 6501 16:26:51 -300.900138 0.112222 BFGS: 6502 16:26:51 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7135 16:27:07 -300.901479 0.001858 BFGS: 7136 16:27:07 -300.900807 0.001847 BFGS: 7137 16:27:07 -300.899392 0.006112 BFGS: 7138 16:27:07 -300.889317 0.111395 BFGS: 7139 16:27:07 -300.898783 0.111918 BFGS: 7140 16:27:07 -300.936364 0.030877 BFGS: 7141 16:27:08 -300.918257 0.016375 BFGS: 7142 16:27:08 -300.899914 0.111693 BFGS: 7143 16:27:08 -300.912414 0.072848 BFGS: 7144 16:27:08 -300.905967 0.006203 BFGS: 7145 16:27:08 -300.904641 0.004962 BFGS: 7146 16:27:08 -300.899326 0.111958 BFGS: 7147 16:27:08 -300.903954 0.004278 BFGS: 7148 16:27:08 -300.903761 0.111955 BFGS: 7149 16:27:08 -300.903890 0.004192 BFGS: 7150 16:27:08 -300.903834 0.004131 BFGS: 7151 16:27:08 -300.899951 0.112047 BFGS: 7152 16:27:08 -300.903727 0.111964 BFGS: 7153 16:27:09 -300.938159 0.073236 BFGS: 7154 16:27:09 -300.915781 0.015365 BFGS: 7155 16:27:09 -300.908133 0.007835 BFGS: 7156 16:27:09 -300.899530 0.112023 BFGS: 7157 16:27:09 -300.906506 0.006379 BFGS: 7158 16:27:09 -300.905375 0.005381 BFGS: 7159 16:27:09 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7208 16:27:13 -300.913293 0.012587 BFGS: 7209 16:27:13 -300.909595 0.009237 BFGS: 7210 16:27:13 -300.899282 0.111901 BFGS: 7211 16:27:14 -300.907422 0.007278 BFGS: 7212 16:27:14 -300.905986 0.005993 BFGS: 7213 16:27:14 -300.899295 0.111903 BFGS: 7214 16:27:14 -300.904967 0.005086 BFGS: 7215 16:27:14 -300.904206 0.004417 BFGS: 7216 16:27:14 -300.899300 0.111904 BFGS: 7217 16:27:14 -300.903617 0.003903 BFGS: 7218 16:27:14 -300.903491 0.111923 BFGS: 7219 16:27:14 -300.904125 0.006163 BFGS: 7220 16:27:14 -300.903845 0.111906 BFGS: 7221 16:27:14 -300.903900 0.111905 BFGS: 7222 16:27:14 -300.939337 0.036030 BFGS: 7223 16:27:14 -300.920565 0.019223 BFGS: 7224 16:27:14 -300.899406 0.111958 BFGS: 7225 16:27:14 -300.913194 0.012479 BFGS: 7226 16:27:14 -300.909574 0.009254 BFGS: 7227 16:27:14 -300.899315 0.111932 BFGS: 7228 16:27:14 -300.907611 0.072939 BFGS: 7229 16:27:14 -300.903881 0.111942 BFGS: 7230 16:27:14 -300.905716 0.072971 BFGS: 7231 16:27:14 -300.904578 0.004783 BFGS: 7232 16:27:14 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0.002766 BFGS: 7257 16:27:15 -300.902879 0.111968 BFGS: 7258 16:27:15 -300.902902 0.111980 BFGS: 7259 16:27:15 -300.903457 0.003642 BFGS: 7260 16:27:15 -300.902980 0.002740 BFGS: 7261 16:27:15 -300.902756 0.111888 BFGS: 7262 16:27:15 -300.902783 0.002694 BFGS: 7263 16:27:15 -300.902691 0.002757 BFGS: 7264 16:27:15 -300.902789 0.111896 BFGS: 7265 16:27:15 -300.902641 0.002824 BFGS: 7266 16:27:15 -300.903169 0.006108 BFGS: 7267 16:27:15 -300.902622 0.111860 BFGS: 7268 16:27:15 -300.902900 0.111958 BFGS: 7269 16:27:15 -300.903327 0.004095 BFGS: 7270 16:27:15 -300.902949 0.002865 BFGS: 7271 16:27:15 -300.902866 0.111940 BFGS: 7272 16:27:15 -300.902809 0.002775 BFGS: 7273 16:27:15 -300.902742 0.002835 BFGS: 7274 16:27:15 -300.902894 0.111941 BFGS: 7275 16:27:15 -300.902705 0.002903 BFGS: 7276 16:27:15 -300.902680 0.002955 BFGS: 7277 16:27:15 -300.902902 0.111933 BFGS: 7278 16:27:15 -300.903007 0.111979 BFGS: 7279 16:27:16 -300.903385 0.003697 BFGS: 7280 16:27:16 -300.903018 0.002805 BFGS: 7281 16:27:16 -300.902932 0.111935 BFGS: 7282 16:27:16 -300.902873 0.002810 BFGS: 7283 16:27:16 -300.902804 0.002896 BFGS: 7284 16:27:16 -300.902956 0.111934 BFGS: 7285 16:27:16 -300.902765 0.002973 BFGS: 7286 16:27:16 -300.902740 0.003027 BFGS: 7287 16:27:16 -300.902966 0.111928 BFGS: 7288 16:27:16 -300.903068 0.111980 BFGS: 7289 16:27:16 -300.903409 0.003277 BFGS: 7290 16:27:16 -300.903056 0.002772 BFGS: 7291 16:27:16 -300.902992 0.111927 BFGS: 7292 16:27:16 -300.902917 0.002865 BFGS: 7293 16:27:16 -300.902851 0.002964 BFGS: 7294 16:27:16 -300.903232 0.006159 BFGS: 7295 16:27:16 -300.902904 0.111871 BFGS: 7296 16:27:16 -300.903007 0.111924 BFGS: 7297 16:27:16 -300.903686 0.072541 BFGS: 7298 16:27:16 -300.902978 0.002869 BFGS: 7299 16:27:16 -300.902837 0.003070 BFGS: 7300 16:27:17 -300.903031 0.111923 BFGS: 7301 16:27:17 -300.903158 0.111987 BFGS: 7302 16:27:17 -300.903591 0.003229 BFGS: 7303 16:27:17 -300.903186 0.002827 BFGS: 7304 16:27:17 -300.903059 0.111922 BFGS: 7305 16:27:17 -300.903024 0.002934 BFGS: 7306 16:27:17 -300.902948 0.003034 BFGS: 7307 16:27:17 -300.903087 0.111924 BFGS: 7308 16:27:17 -300.902907 0.003110 BFGS: 7309 16:27:17 -300.903076 0.072936 BFGS: 7310 16:27:17 -300.902457 0.002951 BFGS: 7311 16:27:17 -300.902412 0.002896 BFGS: 7312 16:27:17 -300.901693 0.006078 BFGS: 7313 16:27:17 -300.878828 0.111903 BFGS: 7314 16:27:17 -300.900420 0.112007 BFGS: 7315 16:27:17 -300.926004 0.027104 BFGS: 7316 16:27:17 -300.913846 0.014131 BFGS: 7317 16:27:17 -300.901783 0.111937 BFGS: 7318 16:27:17 -300.909918 0.009949 BFGS: 7319 16:27:17 -300.907922 0.007938 BFGS: 7320 16:27:17 -300.902002 0.111924 BFGS: 7321 16:27:17 -300.906728 0.006769 BFGS: 7322 16:27:17 -300.905900 0.005975 BFGS: 7323 16:27:17 -300.901023 0.111949 BFGS: 7324 16:27:17 -300.905154 0.005263 BFGS: 7325 16:27:17 -300.904584 0.004716 BFGS: 7326 16:27:17 -300.899820 0.112001 BFGS: 7327 16:27:17 -300.903982 0.004136 BFGS: 7328 16:27:18 -300.903505 0.003681 BFGS: 7329 16:27:18 -300.899416 0.112047 BFGS: 7330 16:27:18 -300.903411 0.111976 BFGS: 7331 16:27:18 -300.939321 0.038899 BFGS: 7332 16:27:18 -300.920402 0.020044 BFGS: 7333 16:27:18 -300.899429 0.112051 BFGS: 7334 16:27:18 -300.913099 0.012821 BFGS: 7335 16:27:18 -300.909526 0.009334 BFGS: 7336 16:27:18 -300.899460 0.112048 BFGS: 7337 16:27:18 -300.907410 0.007299 BFGS: 7338 16:27:18 -300.906009 0.005971 BFGS: 7339 16:27:18 -300.899398 0.112048 BFGS: 7340 16:27:18 -300.905002 0.005036 BFGS: 7341 16:27:18 -300.904249 0.004347 BFGS: 7342 16:27:18 -300.899361 0.112050 BFGS: 7343 16:27:18 -300.903660 0.003819 BFGS: 7344 16:27:18 -300.903190 0.003402 BFGS: 7345 16:27:18 -300.899368 0.112052 BFGS: 7346 16:27:18 -300.903152 0.111985 BFGS: 7347 16:27:18 -300.939718 0.037737 BFGS: 7348 16:27:18 -300.920496 0.019549 BFGS: 7349 16:27:18 -300.899343 0.112052 BFGS: 7350 16:27:18 -300.913140 0.012656 BFGS: 7351 16:27:18 -300.909536 0.009290 BFGS: 7352 16:27:18 -300.899379 0.112050 BFGS: 7353 16:27:18 -300.907404 0.007303 BFGS: 7354 16:27:18 -300.905992 0.005992 BFGS: 7355 16:27:18 -300.899594 0.006034 BFGS: 7356 16:27:19 -300.896316 0.112104 BFGS: 7357 16:27:19 -300.899237 0.112052 BFGS: 7358 16:27:19 -300.939789 0.038090 BFGS: 7359 16:27:19 -300.919519 0.018742 BFGS: 7360 16:27:19 -300.899337 0.112049 BFGS: 7361 16:27:19 -300.912715 0.012303 BFGS: 7362 16:27:19 -300.909301 0.009086 BFGS: 7363 16:27:19 -300.899373 0.112044 BFGS: 7364 16:27:19 -300.907254 0.007163 BFGS: 7365 16:27:19 -300.905887 0.005888 BFGS: 7366 16:27:19 -300.899377 0.112041 BFGS: 7367 16:27:19 -300.904911 0.004980 BFGS: 7368 16:27:19 -300.904178 0.004305 BFGS: 7369 16:27:19 -300.899376 0.112040 BFGS: 7370 16:27:19 -300.903608 0.003783 BFGS: 7371 16:27:19 -300.903151 0.003371 BFGS: 7372 16:27:19 -300.899372 0.112041 BFGS: 7373 16:27:19 -300.902972 0.072951 BFGS: 7374 16:27:19 -300.901531 0.112005 BFGS: 7375 16:27:19 -300.902426 0.111990 BFGS: 7376 16:27:19 -300.939844 0.038305 BFGS: 7377 16:27:19 -300.920355 0.019584 BFGS: 7378 16:27:19 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0.111980 BFGS: 7403 16:27:20 -300.903986 0.004429 BFGS: 7404 16:27:20 -300.903733 0.004048 BFGS: 7405 16:27:20 -300.902674 0.111968 BFGS: 7406 16:27:20 -300.903565 0.003809 BFGS: 7407 16:27:20 -300.903431 0.003638 BFGS: 7408 16:27:20 -300.902686 0.006113 BFGS: 7409 16:27:20 -300.899857 0.111966 BFGS: 7410 16:27:20 -300.902511 0.006108 BFGS: 7411 16:27:21 -300.902148 0.111977 BFGS: 7412 16:27:21 -300.902278 0.111981 BFGS: 7413 16:27:21 -300.908625 0.014891 BFGS: 7414 16:27:21 -300.905918 0.072854 BFGS: 7415 16:27:21 -300.900356 0.006250 BFGS: 7416 16:27:21 -300.900273 0.002706 BFGS: 7417 16:27:21 -300.900394 0.112075 BFGS: 7418 16:27:21 -300.901208 0.111746 BFGS: 7419 16:27:21 -300.901013 0.111996 BFGS: 7420 16:27:21 -300.901492 0.112018 BFGS: 7421 16:27:21 -300.907699 0.011823 BFGS: 7422 16:27:21 -300.905844 0.006907 BFGS: 7423 16:27:21 -300.904161 0.111937 BFGS: 7424 16:27:21 -300.905433 0.005713 BFGS: 7425 16:27:21 -300.905176 0.005314 BFGS: 7426 16:27:21 -300.903954 0.111955 BFGS: 7427 16:27:21 -300.904946 0.005033 BFGS: 7428 16:27:21 -300.904764 0.004836 BFGS: 7429 16:27:21 -300.901931 0.112053 BFGS: 7430 16:27:21 -300.904365 0.004461 BFGS: 7431 16:27:21 -300.904047 0.004175 BFGS: 7432 16:27:21 -300.900483 0.112098 BFGS: 7433 16:27:21 -300.903628 0.003817 BFGS: 7434 16:27:21 -300.903285 0.003526 BFGS: 7435 16:27:21 -300.899539 0.112097 BFGS: 7436 16:27:21 -300.902905 0.003196 BFGS: 7437 16:27:21 -300.902934 0.112009 BFGS: 7438 16:27:22 -300.902876 0.003162 BFGS: 7439 16:27:22 -300.902849 0.003134 BFGS: 7440 16:27:22 -300.902334 0.111994 BFGS: 7441 16:27:22 -300.903124 0.112001 BFGS: 7442 16:27:22 -300.913417 0.015637 BFGS: 7443 16:27:22 -300.908455 0.009087 BFGS: 7444 16:27:22 -300.902922 0.003569 BFGS: 7445 16:27:22 -300.902692 0.003325 BFGS: 7446 16:27:22 -300.899376 0.112105 BFGS: 7447 16:27:22 -300.902767 0.112041 BFGS: 7448 16:27:22 -300.939834 0.038923 BFGS: 7449 16:27:22 -300.920377 0.019754 BFGS: 7450 16:27:22 -300.899302 0.112091 BFGS: 7451 16:27:22 -300.913056 0.012748 BFGS: 7452 16:27:22 -300.909469 0.009327 BFGS: 7453 16:27:22 -300.899370 0.112088 BFGS: 7454 16:27:22 -300.907352 0.007318 BFGS: 7455 16:27:22 -300.905948 0.005994 BFGS: 7456 16:27:22 -300.899375 0.112086 BFGS: 7457 16:27:22 -300.904951 0.005059 BFGS: 7458 16:27:22 -300.904400 0.072944 BFGS: 7459 16:27:22 -300.903254 0.003659 BFGS: 7460 16:27:22 -300.903117 0.003461 BFGS: 7461 16:27:22 -300.902076 0.111995 BFGS: 7462 16:27:22 -300.902979 0.003269 BFGS: 7463 16:27:22 -300.902863 0.003137 BFGS: 7464 16:27:23 -300.900927 0.112027 BFGS: 7465 16:27:23 -300.903010 0.112016 BFGS: 7466 16:27:23 -300.931054 0.033745 BFGS: 7467 16:27:23 -300.917124 0.017715 BFGS: 7468 16:27:23 -300.901493 0.111958 BFGS: 7469 16:27:23 -300.911874 0.011875 BFGS: 7470 16:27:23 -300.909205 0.009103 BFGS: 7471 16:27:23 -300.900610 0.111998 BFGS: 7472 16:27:23 -300.907403 0.007329 BFGS: 7473 16:27:23 -300.906188 0.006155 BFGS: 7474 16:27:23 -300.899537 0.112069 BFGS: 7475 16:27:23 -300.905149 0.005186 BFGS: 7476 16:27:23 -300.904379 0.004472 BFGS: 7477 16:27:23 -300.899426 0.112103 BFGS: 7478 16:27:23 -300.903766 0.003924 BFGS: 7479 16:27:23 -300.903281 0.003494 BFGS: 7480 16:27:23 -300.899491 0.112110 BFGS: 7481 16:27:23 -300.903238 0.112013 BFGS: 7482 16:27:23 -300.938930 0.037654 BFGS: 7483 16:27:23 -300.920184 0.019558 BFGS: 7484 16:27:23 -300.899721 0.005960 BFGS: 7485 16:27:23 -300.897179 0.112167 BFGS: 7486 16:27:23 -300.899606 0.005967 BFGS: 7487 16:27:23 -300.899292 0.112108 BFGS: 7488 16:27:23 -300.899385 0.112101 BFGS: 7489 16:27:24 -300.910958 0.111459 BFGS: 7490 16:27:24 -300.919414 0.111236 BFGS: 7491 16:27:24 -300.935738 0.035070 BFGS: 7492 16:27:24 -300.925511 0.024750 BFGS: 7493 16:27:24 -300.901101 0.003823 BFGS: 7494 16:27:24 -300.899939 0.112129 BFGS: 7495 16:27:24 -300.901532 0.111961 BFGS: 7496 16:27:24 -300.910687 0.111652 BFGS: 7497 16:27:24 -300.934787 0.033754 BFGS: 7498 16:27:24 -300.921423 0.020722 BFGS: 7499 16:27:24 -300.899859 0.002835 BFGS: 7500 16:27:24 -300.899561 0.112109 BFGS: 7501 16:27:24 -300.900565 0.006105 BFGS: 7502 16:27:24 -300.900231 0.002409 BFGS: 7503 16:27:24 -300.900487 0.112080 BFGS: 7504 16:27:24 -300.900734 0.111999 BFGS: 7505 16:27:24 -300.900949 0.112021 BFGS: 7506 16:27:24 -300.903997 0.007075 BFGS: 7507 16:27:24 -300.903326 0.004094 BFGS: 7508 16:27:24 -300.903065 0.112006 BFGS: 7509 16:27:24 -300.903253 0.003530 BFGS: 7510 16:27:24 -300.903198 0.003443 BFGS: 7511 16:27:24 -300.902784 0.112006 BFGS: 7512 16:27:24 -300.903125 0.003364 BFGS: 7513 16:27:25 -300.903060 0.003300 BFGS: 7514 16:27:25 -300.899698 0.112096 BFGS: 7515 16:27:25 -300.903073 0.112019 BFGS: 7516 16:27:25 -300.938708 0.038242 BFGS: 7517 16:27:25 -300.920115 0.019715 BFGS: 7518 16:27:25 -300.899556 0.112094 BFGS: 7519 16:27:25 -300.912996 0.012736 BFGS: 7520 16:27:25 -300.909488 0.009342 BFGS: 7521 16:27:25 -300.899429 0.112097 BFGS: 7522 16:27:25 -300.907376 0.007329 BFGS: 7523 16:27:25 -300.905976 0.006003 BFGS: 7524 16:27:25 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7573 16:27:27 -300.920348 0.073350 BFGS: 7574 16:27:27 -300.721194 0.165792 BFGS: 7575 16:27:27 -300.887127 0.016048 BFGS: 7576 16:27:27 -300.897544 0.005314 BFGS: 7577 16:27:27 -300.900114 0.112136 BFGS: 7578 16:27:27 -300.902169 0.002685 BFGS: 7579 16:27:27 -300.902348 0.112058 BFGS: 7580 16:27:27 -300.902500 0.112055 BFGS: 7581 16:27:27 -300.923199 0.111409 BFGS: 7582 16:27:27 -300.932131 0.030709 BFGS: 7583 16:27:27 -300.926071 0.025323 BFGS: 7584 16:27:27 -300.906799 0.009802 BFGS: 7585 16:27:27 -300.901689 0.004783 BFGS: 7586 16:27:27 -300.899292 0.112156 BFGS: 7587 16:27:27 -300.902275 0.112006 BFGS: 7588 16:27:27 -300.923240 0.022126 BFGS: 7589 16:27:27 -300.914153 0.013833 BFGS: 7590 16:27:27 -300.903534 0.004555 BFGS: 7591 16:27:27 -300.899892 0.112133 BFGS: 7592 16:27:27 -300.903127 0.003469 BFGS: 7593 16:27:27 -300.902999 0.072905 BFGS: 7594 16:27:28 -300.902415 0.002785 BFGS: 7595 16:27:28 -300.902712 0.112032 BFGS: 7596 16:27:28 -300.902756 0.112029 BFGS: 7597 16:27:28 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7646 16:27:30 -300.876209 0.112934 BFGS: 7647 16:27:30 -300.898962 0.112166 BFGS: 7648 16:27:30 -300.934819 0.037544 BFGS: 7649 16:27:30 -300.916988 0.018371 BFGS: 7650 16:27:30 -300.899587 0.112134 BFGS: 7651 16:27:30 -300.911130 0.012136 BFGS: 7652 16:27:30 -300.908526 0.111826 BFGS: 7653 16:27:30 -300.910228 0.011178 BFGS: 7654 16:27:30 -300.909636 0.010550 BFGS: 7655 16:27:30 -300.899603 0.112130 BFGS: 7656 16:27:30 -300.907657 0.111855 BFGS: 7657 16:27:30 -300.934770 0.037420 BFGS: 7658 16:27:30 -300.919369 0.020879 BFGS: 7659 16:27:30 -300.899610 0.112131 BFGS: 7660 16:27:30 -300.912158 0.013206 BFGS: 7661 16:27:30 -300.908756 0.009609 BFGS: 7662 16:27:30 -300.899611 0.112131 BFGS: 7663 16:27:30 -300.907119 0.111871 BFGS: 7664 16:27:30 -300.934769 0.037383 BFGS: 7665 16:27:30 -300.919203 0.020686 BFGS: 7666 16:27:30 -300.899621 0.112131 BFGS: 7667 16:27:30 -300.912094 0.013129 BFGS: 7668 16:27:30 -300.908725 0.009569 BFGS: 7669 16:27:30 -300.899621 0.112128 BFGS: 7670 16:27:31 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7719 16:27:32 -300.919194 0.020595 BFGS: 7720 16:27:32 -300.899689 0.112108 BFGS: 7721 16:27:32 -300.912129 0.013087 BFGS: 7722 16:27:32 -300.908774 0.009542 BFGS: 7723 16:27:32 -300.899689 0.112105 BFGS: 7724 16:27:33 -300.907159 0.111844 BFGS: 7725 16:27:33 -300.934824 0.037351 BFGS: 7726 16:27:33 -300.919258 0.020657 BFGS: 7727 16:27:33 -300.899700 0.112104 BFGS: 7728 16:27:33 -300.912160 0.013111 BFGS: 7729 16:27:33 -300.908795 0.009554 BFGS: 7730 16:27:33 -300.899700 0.112101 BFGS: 7731 16:27:33 -300.906830 0.007487 BFGS: 7732 16:27:33 -300.905887 0.111885 BFGS: 7733 16:27:33 -300.906916 0.111849 BFGS: 7734 16:27:33 -300.934882 0.037387 BFGS: 7735 16:27:33 -300.919213 0.020587 BFGS: 7736 16:27:33 -300.899703 0.112101 BFGS: 7737 16:27:33 -300.912150 0.013081 BFGS: 7738 16:27:33 -300.908794 0.009537 BFGS: 7739 16:27:33 -300.899705 0.112098 BFGS: 7740 16:27:33 -300.906834 0.007476 BFGS: 7741 16:27:33 -300.905892 0.111881 BFGS: 7742 16:27:33 -300.906575 0.007205 BFGS: 7743 16:27:33 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7792 16:27:35 -300.903854 0.004075 BFGS: 7793 16:27:35 -300.900576 0.003279 BFGS: 7794 16:27:35 -300.900367 0.003007 BFGS: 7795 16:27:35 -300.899957 0.111960 BFGS: 7796 16:27:35 -300.900827 0.111943 BFGS: 7797 16:27:35 -300.905357 0.073276 BFGS: 7798 16:27:36 -300.902537 0.003033 BFGS: 7799 16:27:36 -300.901750 0.001903 BFGS: 7800 16:27:36 -300.900201 0.111938 BFGS: 7801 16:27:36 -300.901437 0.001874 BFGS: 7802 16:27:36 -300.901208 0.001869 BFGS: 7803 16:27:36 -300.900012 0.111968 BFGS: 7804 16:27:36 -300.901015 0.001864 BFGS: 7805 16:27:36 -300.901209 0.111872 BFGS: 7806 16:27:36 -300.900999 0.001864 BFGS: 7807 16:27:36 -300.900983 0.001863 BFGS: 7808 16:27:36 -300.899974 0.111966 BFGS: 7809 16:27:36 -300.901186 0.111874 BFGS: 7810 16:27:36 -300.911130 0.010249 BFGS: 7811 16:27:36 -300.905694 0.005298 BFGS: 7812 16:27:36 -300.899932 0.111968 BFGS: 7813 16:27:36 -300.903587 0.003436 BFGS: 7814 16:27:36 -300.902562 0.002570 BFGS: 7815 16:27:36 -300.899951 0.111970 BFGS: 7816 16:27:36 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7938 16:27:40 -300.914828 0.010205 BFGS: 7939 16:27:41 -300.899548 0.111974 BFGS: 7940 16:27:41 -300.909739 0.006598 BFGS: 7941 16:27:41 -300.907121 0.004898 BFGS: 7942 16:27:41 -300.898969 0.112036 BFGS: 7943 16:27:41 -300.905428 0.003886 BFGS: 7944 16:27:41 -300.904296 0.003213 BFGS: 7945 16:27:41 -300.898949 0.112043 BFGS: 7946 16:27:41 -300.903486 0.002745 BFGS: 7947 16:27:41 -300.902877 0.002397 BFGS: 7948 16:27:41 -300.898951 0.112043 BFGS: 7949 16:27:41 -300.902405 0.002133 BFGS: 7950 16:27:41 -300.902026 0.001928 BFGS: 7951 16:27:41 -300.898950 0.112043 BFGS: 7952 16:27:41 -300.901717 0.001878 BFGS: 7953 16:27:41 -300.901655 0.073099 BFGS: 7954 16:27:41 -300.901149 0.001868 BFGS: 7955 16:27:41 -300.901123 0.001867 BFGS: 7956 16:27:41 -300.901378 0.111869 BFGS: 7957 16:27:41 -300.901118 0.001866 BFGS: 7958 16:27:41 -300.901456 0.111850 BFGS: 7959 16:27:41 -300.901464 0.111850 BFGS: 7960 16:27:41 -300.952406 0.035231 BFGS: 7961 16:27:41 -300.926456 0.017997 BFGS: 7962 16:27:41 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8011 16:27:43 -300.906122 0.004507 BFGS: 8012 16:27:43 -300.905119 0.003849 BFGS: 8013 16:27:43 -300.898416 0.112030 BFGS: 8014 16:27:43 -300.904340 0.003344 BFGS: 8015 16:27:43 -300.903715 0.002946 BFGS: 8016 16:27:43 -300.898417 0.112032 BFGS: 8017 16:27:43 -300.903205 0.002628 BFGS: 8018 16:27:43 -300.902778 0.002369 BFGS: 8019 16:27:43 -300.898415 0.112035 BFGS: 8020 16:27:43 -300.902418 0.002156 BFGS: 8021 16:27:44 -300.902109 0.001979 BFGS: 8022 16:27:44 -300.898415 0.112036 BFGS: 8023 16:27:44 -300.901841 0.001880 BFGS: 8024 16:27:44 -300.901802 0.073109 BFGS: 8025 16:27:44 -300.901342 0.001871 BFGS: 8026 16:27:44 -300.901321 0.001871 BFGS: 8027 16:27:44 -300.901521 0.111852 BFGS: 8028 16:27:44 -300.901312 0.001870 BFGS: 8029 16:27:44 -300.901305 0.001870 BFGS: 8030 16:27:44 -300.901573 0.111851 BFGS: 8031 16:27:44 -300.901302 0.001870 BFGS: 8032 16:27:44 -300.901297 0.001869 BFGS: 8033 16:27:44 -300.901408 0.111872 BFGS: 8034 16:27:44 -300.901286 0.001869 BFGS: 8035 16:27:44 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0.002192 BFGS: 8060 16:27:45 -300.902143 0.002015 BFGS: 8061 16:27:45 -300.899008 0.006108 BFGS: 8062 16:27:45 -300.885360 0.112684 BFGS: 8063 16:27:45 -300.898219 0.112015 BFGS: 8064 16:27:45 -300.954093 0.038010 BFGS: 8065 16:27:45 -300.926505 0.018669 BFGS: 8066 16:27:45 -300.898816 0.111943 BFGS: 8067 16:27:45 -300.917288 0.012230 BFGS: 8068 16:27:45 -300.912838 0.073741 BFGS: 8069 16:27:45 -300.903353 0.005865 BFGS: 8070 16:27:46 -300.903537 0.004748 BFGS: 8071 16:27:46 -300.903515 0.003248 BFGS: 8072 16:27:46 -300.902975 0.003285 BFGS: 8073 16:27:46 -300.900880 0.111952 BFGS: 8074 16:27:46 -300.902745 0.002268 BFGS: 8075 16:27:46 -300.902775 0.073145 BFGS: 8076 16:27:46 -300.902592 0.073134 BFGS: 8077 16:27:46 -300.898775 0.111915 BFGS: 8078 16:27:46 -300.900890 0.002196 BFGS: 8079 16:27:46 -300.900882 0.001862 BFGS: 8080 16:27:46 -300.901119 0.111871 BFGS: 8081 16:27:46 -300.901248 0.111893 BFGS: 8082 16:27:46 -300.902327 0.111889 BFGS: 8083 16:27:46 -300.913402 0.073403 BFGS: 8084 16:27:46 -300.907213 0.073290 BFGS: 8085 16:27:46 -300.890283 0.112139 BFGS: 8086 16:27:46 -300.900686 0.111859 BFGS: 8087 16:27:46 -300.925947 0.025046 BFGS: 8088 16:27:46 -300.915181 0.012642 BFGS: 8089 16:27:46 -300.903674 0.004801 BFGS: 8090 16:27:46 -300.902516 0.004199 BFGS: 8091 16:27:46 -300.898310 0.112034 BFGS: 8092 16:27:46 -300.902275 0.002075 BFGS: 8093 16:27:46 -300.902004 0.001996 BFGS: 8094 16:27:46 -300.901569 0.001875 BFGS: 8095 16:27:46 -300.898583 0.112018 BFGS: 8096 16:27:46 -300.901386 0.001871 BFGS: 8097 16:27:46 -300.901221 0.001868 BFGS: 8098 16:27:47 -300.898649 0.112034 BFGS: 8099 16:27:47 -300.901422 0.111855 BFGS: 8100 16:27:47 -300.957276 0.076467 BFGS: 8101 16:27:47 -300.921757 0.015331 BFGS: 8102 16:27:47 -300.910454 0.007520 BFGS: 8103 16:27:47 -300.898400 0.112042 BFGS: 8104 16:27:47 -300.908341 0.006065 BFGS: 8105 16:27:47 -300.906843 0.005043 BFGS: 8106 16:27:47 -300.898413 0.112037 BFGS: 8107 16:27:47 -300.905727 0.004291 BFGS: 8108 16:27:47 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8157 16:27:49 -300.932486 0.024430 BFGS: 8158 16:27:49 -300.920503 0.014560 BFGS: 8159 16:27:49 -300.904601 0.111816 BFGS: 8160 16:27:49 -300.915754 0.011211 BFGS: 8161 16:27:49 -300.912983 0.009304 BFGS: 8162 16:27:49 -300.898770 0.112070 BFGS: 8163 16:27:49 -300.910099 0.007297 BFGS: 8164 16:27:49 -300.908159 0.005958 BFGS: 8165 16:27:49 -300.898438 0.112048 BFGS: 8166 16:27:49 -300.906722 0.004969 BFGS: 8167 16:27:49 -300.905643 0.004236 BFGS: 8168 16:27:49 -300.898666 0.006037 BFGS: 8169 16:27:49 -300.892995 0.112377 BFGS: 8170 16:27:49 -300.898200 0.112063 BFGS: 8171 16:27:49 -300.957717 0.040692 BFGS: 8172 16:27:49 -300.928110 0.019862 BFGS: 8173 16:27:49 -300.898265 0.112061 BFGS: 8174 16:27:49 -300.918121 0.012865 BFGS: 8175 16:27:49 -300.913105 0.009369 BFGS: 8176 16:27:49 -300.898414 0.112053 BFGS: 8177 16:27:49 -300.910116 0.007296 BFGS: 8178 16:27:49 -300.908118 0.005919 BFGS: 8179 16:27:50 -300.898434 0.112052 BFGS: 8180 16:27:50 -300.906692 0.004944 BFGS: 8181 16:27:50 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0.001881 BFGS: 8206 16:27:51 -300.898453 0.112050 BFGS: 8207 16:27:51 -300.901899 0.073091 BFGS: 8208 16:27:51 -300.900560 0.111922 BFGS: 8209 16:27:51 -300.901076 0.001864 BFGS: 8210 16:27:51 -300.901230 0.073051 BFGS: 8211 16:27:51 -300.900990 0.001863 BFGS: 8212 16:27:51 -300.900987 0.001862 BFGS: 8213 16:27:51 -300.901233 0.111900 BFGS: 8214 16:27:51 -300.901544 0.006219 BFGS: 8215 16:27:51 -300.901319 0.111876 BFGS: 8216 16:27:51 -300.901328 0.111874 BFGS: 8217 16:27:51 -300.906584 0.111115 BFGS: 8218 16:27:51 -300.913286 0.110467 BFGS: 8219 16:27:51 -300.931950 0.109128 BFGS: 8220 16:27:51 -300.951597 0.040069 BFGS: 8221 16:27:51 -300.939487 0.030006 BFGS: 8222 16:27:51 -300.906561 0.007450 BFGS: 8223 16:27:51 -300.901667 0.004781 BFGS: 8224 16:27:51 -300.898644 0.112057 BFGS: 8225 16:27:51 -300.902342 0.111545 BFGS: 8226 16:27:51 -300.933065 0.025540 BFGS: 8227 16:27:51 -300.921755 0.074210 BFGS: 8228 16:27:51 -300.887374 0.027203 BFGS: 8229 16:27:51 -300.902631 0.011744 BFGS: 8230 16:27:51 -300.909961 0.009440 BFGS: 8231 16:27:51 -300.909984 0.009081 BFGS: 8232 16:27:51 -300.906425 0.005021 BFGS: 8233 16:27:51 -300.902397 0.111988 BFGS: 8234 16:27:52 -300.906111 0.073249 BFGS: 8235 16:27:52 -300.904192 0.003343 BFGS: 8236 16:27:52 -300.903959 0.003176 BFGS: 8237 16:27:52 -300.900486 0.002286 BFGS: 8238 16:27:52 -300.899456 0.111880 BFGS: 8239 16:27:52 -300.901000 0.006206 BFGS: 8240 16:27:52 -300.900682 0.111915 BFGS: 8241 16:27:52 -300.900777 0.111917 BFGS: 8242 16:27:52 -300.937909 0.031409 BFGS: 8243 16:27:52 -300.922615 0.017119 BFGS: 8244 16:27:52 -300.903412 0.004383 BFGS: 8245 16:27:52 -300.900096 0.003714 BFGS: 8246 16:27:52 -300.898639 0.112004 BFGS: 8247 16:27:52 -300.900696 0.112397 BFGS: 8248 16:27:52 -300.916852 0.112068 BFGS: 8249 16:27:52 -300.958291 0.044110 BFGS: 8250 16:27:52 -300.934977 0.074554 BFGS: 8251 16:27:52 -300.779137 0.120106 BFGS: 8252 16:27:52 -300.881590 0.022081 BFGS: 8253 16:27:52 -300.900498 0.073004 BFGS: 8254 16:27:52 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0.006167 BFGS: 8279 16:27:53 -300.899515 0.112037 BFGS: 8280 16:27:53 -300.900776 0.111928 BFGS: 8281 16:27:53 -300.903572 0.008092 BFGS: 8282 16:27:53 -300.902012 0.004335 BFGS: 8283 16:27:53 -300.900827 0.111925 BFGS: 8284 16:27:53 -300.901721 0.073066 BFGS: 8285 16:27:53 -300.900992 0.001969 BFGS: 8286 16:27:53 -300.900886 0.001862 BFGS: 8287 16:27:53 -300.900779 0.111929 BFGS: 8288 16:27:53 -300.900856 0.001861 BFGS: 8289 16:27:53 -300.900814 0.001860 BFGS: 8290 16:27:53 -300.900754 0.111931 BFGS: 8291 16:27:53 -300.900800 0.001860 BFGS: 8292 16:27:53 -300.900964 0.073019 BFGS: 8293 16:27:53 -300.900927 0.073019 BFGS: 8294 16:27:54 -300.900443 0.111896 BFGS: 8295 16:27:54 -300.901085 0.006189 BFGS: 8296 16:27:54 -300.900857 0.111910 BFGS: 8297 16:27:54 -300.900987 0.111963 BFGS: 8298 16:27:54 -300.901225 0.111938 BFGS: 8299 16:27:54 -300.904192 0.008113 BFGS: 8300 16:27:54 -300.903703 0.073157 BFGS: 8301 16:27:54 -300.799284 0.483708 BFGS: 8302 16:27:54 -300.902639 0.111847 BFGS: 8303 16:27:54 -300.903770 0.007202 BFGS: 8304 16:27:54 -300.903199 0.002996 BFGS: 8305 16:27:54 -300.902781 0.002381 BFGS: 8306 16:27:54 -300.902780 0.002381 BFGS: 8307 16:27:54 -300.902447 0.002274 BFGS: 8308 16:27:54 -300.901856 0.002092 BFGS: 8309 16:27:54 -300.900718 0.111741 BFGS: 8310 16:27:54 -300.901829 0.001960 BFGS: 8311 16:27:54 -300.901756 0.001878 BFGS: 8312 16:27:54 -300.901628 0.111946 BFGS: 8313 16:27:54 -300.901769 0.001877 BFGS: 8314 16:27:54 -300.901740 0.001876 BFGS: 8315 16:27:54 -300.901426 0.001867 BFGS: 8316 16:27:54 -300.901501 0.111976 BFGS: 8317 16:27:54 -300.901445 0.001868 BFGS: 8318 16:27:54 -300.901433 0.001869 BFGS: 8319 16:27:54 -300.901371 0.001870 BFGS: 8320 16:27:54 -300.901326 0.001869 BFGS: 8321 16:27:54 -300.901313 0.111809 BFGS: 8322 16:27:54 -300.901328 0.001869 BFGS: 8323 16:27:55 -300.901508 0.073067 BFGS: 8324 16:27:55 -300.901296 0.001868 BFGS: 8325 16:27:55 -300.901295 0.001868 BFGS: 8326 16:27:55 -300.901290 0.001867 BFGS: 8327 16:27:55 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0.010937 BFGS: 8352 16:27:56 -300.911412 0.008626 BFGS: 8353 16:27:56 -300.900779 0.003652 BFGS: 8354 16:27:56 -300.900333 0.112201 BFGS: 8355 16:27:56 -300.901123 0.111717 BFGS: 8356 16:27:56 -300.904444 0.007112 BFGS: 8357 16:27:56 -300.903842 0.003533 BFGS: 8358 16:27:56 -300.903217 0.002715 BFGS: 8359 16:27:56 -300.902859 0.002467 BFGS: 8360 16:27:56 -300.900620 0.006019 BFGS: 8361 16:27:56 -300.629558 0.187461 BFGS: 8362 16:27:56 -300.897166 0.112233 BFGS: 8363 16:27:56 -300.954176 0.040235 BFGS: 8364 16:27:56 -300.926282 0.019598 BFGS: 8365 16:27:56 -300.899361 0.112170 BFGS: 8366 16:27:56 -300.917364 0.013049 BFGS: 8367 16:27:56 -300.913034 0.073625 BFGS: 8368 16:27:56 -300.905574 0.004410 BFGS: 8369 16:27:56 -300.904483 0.003625 BFGS: 8370 16:27:56 -300.901595 0.072890 BFGS: 8371 16:27:56 -300.897867 0.111984 BFGS: 8372 16:27:56 -300.900174 0.111982 BFGS: 8373 16:27:56 -300.946176 0.034608 BFGS: 8374 16:27:56 -300.924415 0.018278 BFGS: 8375 16:27:56 -300.901138 0.006468 BFGS: 8376 16:27:56 -300.896490 0.111965 BFGS: 8377 16:27:56 -300.900574 0.111867 BFGS: 8378 16:27:56 -300.952910 0.039559 BFGS: 8379 16:27:57 -300.926877 0.020121 BFGS: 8380 16:27:57 -300.899485 0.111903 BFGS: 8381 16:27:57 -300.917695 0.013320 BFGS: 8382 16:27:57 -300.913256 0.073652 BFGS: 8383 16:27:57 -300.905606 0.004411 BFGS: 8384 16:27:57 -300.904499 0.003608 BFGS: 8385 16:27:57 -300.900454 0.001846 BFGS: 8386 16:27:57 -300.899712 0.112067 BFGS: 8387 16:27:57 -300.900981 0.006161 BFGS: 8388 16:27:57 -300.900686 0.111922 BFGS: 8389 16:27:57 -300.900760 0.111918 BFGS: 8390 16:27:57 -300.956301 0.075915 BFGS: 8391 16:27:57 -300.921241 0.015984 BFGS: 8392 16:27:57 -300.910323 0.007861 BFGS: 8393 16:27:57 -300.899031 0.112004 BFGS: 8394 16:27:57 -300.908386 0.006435 BFGS: 8395 16:27:57 -300.907001 0.005421 BFGS: 8396 16:27:57 -300.899035 0.111993 BFGS: 8397 16:27:57 -300.905963 0.004665 BFGS: 8398 16:27:57 -300.905156 0.004082 BFGS: 8399 16:27:57 -300.899038 0.111985 BFGS: 8400 16:27:57 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0.110724 BFGS: 8425 16:27:58 -300.906296 0.004920 BFGS: 8426 16:27:58 -300.906099 0.004818 BFGS: 8427 16:27:58 -300.902319 0.110786 BFGS: 8428 16:27:58 -300.906062 0.110757 BFGS: 8429 16:27:58 -300.946843 0.036560 BFGS: 8430 16:27:58 -300.926162 0.019696 BFGS: 8431 16:27:58 -300.902828 0.110718 BFGS: 8432 16:27:58 -300.918278 0.013558 BFGS: 8433 16:27:59 -300.914302 0.010596 BFGS: 8434 16:27:59 -300.901943 0.110773 BFGS: 8435 16:27:59 -300.911733 0.008743 BFGS: 8436 16:27:59 -300.909994 0.007521 BFGS: 8437 16:27:59 -300.900599 0.110874 BFGS: 8438 16:27:59 -300.908545 0.006501 BFGS: 8439 16:27:59 -300.907460 0.005760 BFGS: 8440 16:27:59 -300.900244 0.110937 BFGS: 8441 16:27:59 -300.906772 0.074205 BFGS: 8442 16:27:59 -300.904027 0.110832 BFGS: 8443 16:27:59 -300.905621 0.110786 BFGS: 8444 16:27:59 -300.956455 0.042665 BFGS: 8445 16:27:59 -300.929715 0.022166 BFGS: 8446 16:27:59 -300.900135 0.110948 BFGS: 8447 16:27:59 -300.919456 0.014429 BFGS: 8448 16:27:59 -300.914433 0.010694 BFGS: 8449 16:27:59 -300.900122 0.110954 BFGS: 8450 16:27:59 -300.911452 0.008516 BFGS: 8451 16:27:59 -300.909670 0.074285 BFGS: 8452 16:27:59 -300.906788 0.005130 BFGS: 8453 16:27:59 -300.906332 0.004837 BFGS: 8454 16:27:59 -300.900857 0.110931 BFGS: 8455 16:27:59 -300.905705 0.004473 BFGS: 8456 16:27:59 -300.905541 0.110809 BFGS: 8457 16:27:59 -300.905650 0.004461 BFGS: 8458 16:27:59 -300.905602 0.004447 BFGS: 8459 16:27:59 -300.904544 0.110780 BFGS: 8460 16:27:59 -300.905452 0.004397 BFGS: 8461 16:28:00 -300.905325 0.004344 BFGS: 8462 16:28:00 -300.903010 0.110825 BFGS: 8463 16:28:00 -300.905068 0.004221 BFGS: 8464 16:28:00 -300.905192 0.110806 BFGS: 8465 16:28:00 -300.905049 0.004199 BFGS: 8466 16:28:00 -300.905591 0.007347 BFGS: 8467 16:28:00 -300.905300 0.110808 BFGS: 8468 16:28:00 -300.905025 0.004165 BFGS: 8469 16:28:00 -300.905364 0.110811 BFGS: 8470 16:28:00 -300.905370 0.110813 BFGS: 8471 16:28:00 -300.906155 0.007191 BFGS: 8472 16:28:00 -300.905926 0.007268 BFGS: 8473 16:28:00 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0.007035 BFGS: 8498 16:28:01 -300.896988 0.111108 BFGS: 8499 16:28:01 -300.896983 0.111368 BFGS: 8500 16:28:01 -300.896992 0.111130 BFGS: 8501 16:28:01 -300.897212 0.007012 BFGS: 8502 16:28:01 -300.896999 0.111133 BFGS: 8503 16:28:01 -300.897007 0.111132 BFGS: 8504 16:28:01 -300.897786 0.006848 BFGS: 8505 16:28:01 -300.897597 0.111355 BFGS: 8506 16:28:01 -300.898926 0.114313 BFGS: 8507 16:28:01 -300.897828 0.111621 BFGS: 8508 16:28:01 -300.897880 0.111643 BFGS: 8509 16:28:01 -300.899456 0.112365 BFGS: 8510 16:28:01 -300.899460 0.112367 BFGS: 8511 16:28:01 -300.900174 0.112627 BFGS: 8512 16:28:01 -300.901226 0.112904 BFGS: 8513 16:28:01 -300.904107 0.113477 BFGS: 8514 16:28:02 -300.908824 0.114156 BFGS: 8515 16:28:02 -300.914257 0.114618 BFGS: 8516 16:28:02 -300.916435 0.114494 BFGS: 8517 16:28:02 -300.915937 0.114228 BFGS: 8518 16:28:02 -300.915511 0.114146 BFGS: 8519 16:28:02 -300.915404 0.114131 BFGS: 8520 16:28:02 -300.915189 0.114101 BFGS: 8521 16:28:02 -300.914786 0.114044 BFGS: 8522 16:28:02 -300.914287 0.113971 BFGS: 8523 16:28:02 -300.913532 0.113851 BFGS: 8524 16:28:02 -300.912633 0.113683 BFGS: 8525 16:28:02 -300.911949 0.113470 BFGS: 8526 16:28:02 -300.912807 0.113300 BFGS: 8527 16:28:02 -300.918026 0.113439 BFGS: 8528 16:28:02 -300.929459 0.114221 BFGS: 8529 16:28:02 -300.940992 0.115300 BFGS: 8530 16:28:02 -300.944951 0.115818 BFGS: 8531 16:28:02 -300.944828 0.115871 BFGS: 8532 16:28:02 -300.944631 0.115861 BFGS: 8533 16:28:02 -300.944581 0.115857 BFGS: 8534 16:28:02 -300.944435 0.115847 BFGS: 8535 16:28:02 -300.944233 0.115833 BFGS: 8536 16:28:02 -300.943944 0.115813 BFGS: 8537 16:28:02 -300.943471 0.115780 BFGS: 8538 16:28:02 -300.942751 0.115729 BFGS: 8539 16:28:02 -300.941677 0.115650 BFGS: 8540 16:28:03 -300.940204 0.115534 BFGS: 8541 16:28:03 -300.938538 0.115383 BFGS: 8542 16:28:03 -300.937747 0.115235 BFGS: 8543 16:28:03 -300.940939 0.115246 BFGS: 8544 16:28:03 -300.952689 0.018886 BFGS: 8545 16:28:03 -300.945442 0.017990 BFGS: 8546 16:28:03 -300.922119 0.113065 BFGS: 8547 16:28:03 -300.935543 0.016996 BFGS: 8548 16:28:03 -300.931279 0.015450 BFGS: 8549 16:28:03 -300.861724 0.109300 BFGS: 8550 16:28:03 -300.914230 0.112805 BFGS: 8551 16:28:03 -300.981935 0.067688 BFGS: 8552 16:28:03 -300.936721 0.070666 BFGS: 8553 16:28:03 -300.867985 0.109780 BFGS: 8554 16:28:03 -300.905492 0.005797 BFGS: 8555 16:28:03 -300.901096 0.112000 BFGS: 8556 16:28:03 -300.904652 0.112236 BFGS: 8557 16:28:03 -300.972546 0.029672 BFGS: 8558 16:28:03 -300.939586 0.070470 BFGS: 8559 16:28:03 -300.865141 0.031660 BFGS: 8560 16:28:03 -300.880907 0.111092 BFGS: 8561 16:28:03 -300.934937 0.147977 BFGS: 8562 16:28:03 -300.889348 0.022089 BFGS: 8563 16:28:03 -300.882207 0.110471 BFGS: 8564 16:28:03 -300.893011 0.110757 BFGS: 8565 16:28:03 -300.953259 0.053977 BFGS: 8566 16:28:03 -300.921023 0.026270 BFGS: 8567 16:28:04 -300.891563 0.111294 BFGS: 8568 16:28:04 -300.910980 0.017706 BFGS: 8569 16:28:04 -300.905631 0.011881 BFGS: 8570 16:28:04 -300.893980 0.111549 BFGS: 8571 16:28:04 -300.903181 0.073413 BFGS: 8572 16:28:04 -300.898997 0.111553 BFGS: 8573 16:28:04 -300.901175 0.111547 BFGS: 8574 16:28:04 -300.933296 0.044989 BFGS: 8575 16:28:04 -300.915509 0.022179 BFGS: 8576 16:28:04 -300.896586 0.111844 BFGS: 8577 16:28:04 -300.908632 0.013025 BFGS: 8578 16:28:04 -300.905425 0.008444 BFGS: 8579 16:28:04 -300.897773 0.111928 BFGS: 8580 16:28:04 -300.904122 0.111800 BFGS: 8581 16:28:04 -300.927195 0.039528 BFGS: 8582 16:28:04 -300.914310 0.020010 BFGS: 8583 16:28:04 -300.899132 0.112071 BFGS: 8584 16:28:04 -300.908778 0.011120 BFGS: 8585 16:28:04 -300.906219 0.007089 BFGS: 8586 16:28:04 -300.899708 0.112110 BFGS: 8587 16:28:04 -300.905240 0.111966 BFGS: 8588 16:28:04 -300.926640 0.037704 BFGS: 8589 16:28:04 -300.914755 0.018813 BFGS: 8590 16:28:04 -300.900657 0.112216 BFGS: 8591 16:28:04 -300.909669 0.010212 BFGS: 8592 16:28:04 -300.907626 0.112018 BFGS: 8593 16:28:04 -300.909013 0.008606 BFGS: 8594 16:28:05 -300.908556 0.007835 BFGS: 8595 16:28:05 -300.901493 0.112273 BFGS: 8596 16:28:05 -300.907279 0.112099 BFGS: 8597 16:28:05 -300.927111 0.036666 BFGS: 8598 16:28:05 -300.915934 0.018442 BFGS: 8599 16:28:05 -300.901905 0.112338 BFGS: 8600 16:28:05 -300.910832 0.009833 BFGS: 8601 16:28:05 -300.908777 0.112131 BFGS: 8602 16:28:05 -300.910144 0.008318 BFGS: 8603 16:28:05 -300.909676 0.007563 BFGS: 8604 16:28:05 -300.902126 0.112352 BFGS: 8605 16:28:05 -300.908259 0.112187 BFGS: 8606 16:28:05 -300.929017 0.036984 BFGS: 8607 16:28:05 -300.917282 0.018416 BFGS: 8608 16:28:05 -300.902564 0.112415 BFGS: 8609 16:28:05 -300.912098 0.072800 BFGS: 8610 16:28:05 -300.907388 0.112268 BFGS: 8611 16:28:05 -300.909635 0.112227 BFGS: 8612 16:28:05 -300.933057 0.073090 BFGS: 8613 16:28:05 -300.916796 0.015533 BFGS: 8614 16:28:05 -300.910522 0.112267 BFGS: 8615 16:28:05 -300.914206 0.011512 BFGS: 8616 16:28:05 -300.913035 0.072717 BFGS: 8617 16:28:05 -300.910858 0.112314 BFGS: 8618 16:28:05 -300.911543 0.007241 BFGS: 8619 16:28:05 -300.911264 0.006780 BFGS: 8620 16:28:05 -300.903870 0.112514 BFGS: 8621 16:28:06 -300.909868 0.112353 BFGS: 8622 16:28:06 -300.930346 0.036093 BFGS: 8623 16:28:06 -300.918725 0.017688 BFGS: 8624 16:28:06 -300.904100 0.112570 BFGS: 8625 16:28:06 -300.913365 0.009102 BFGS: 8626 16:28:06 -300.911194 0.112367 BFGS: 8627 16:28:06 -300.912595 0.007658 BFGS: 8628 16:28:06 -300.912089 0.006874 BFGS: 8629 16:28:06 -300.903986 0.112562 BFGS: 8630 16:28:06 -300.910718 0.005935 BFGS: 8631 16:28:06 -300.909073 0.112435 BFGS: 8632 16:28:06 -300.910159 0.112420 BFGS: 8633 16:28:06 -300.936110 0.038746 BFGS: 8634 16:28:06 -300.921728 0.072642 BFGS: 8635 16:28:06 -300.827288 0.113855 BFGS: 8636 16:28:06 -300.897122 0.112607 BFGS: 8637 16:28:06 -300.933711 0.037805 BFGS: 8638 16:28:06 -300.916941 0.013689 BFGS: 8639 16:28:06 -300.903599 0.112548 BFGS: 8640 16:28:06 -300.912662 0.007493 BFGS: 8641 16:28:06 -300.910780 0.112398 BFGS: 8642 16:28:06 -300.912384 0.112373 BFGS: 8643 16:28:06 -300.935158 0.038094 BFGS: 8644 16:28:06 -300.921772 0.019279 BFGS: 8645 16:28:06 -300.903871 0.112593 BFGS: 8646 16:28:06 -300.915065 0.009799 BFGS: 8647 16:28:07 -300.912326 0.112439 BFGS: 8648 16:28:07 -300.914050 0.008197 BFGS: 8649 16:28:07 -300.913419 0.007279 BFGS: 8650 16:28:07 -300.904345 0.112624 BFGS: 8651 16:28:07 -300.911524 0.112472 BFGS: 8652 16:28:07 -300.933589 0.036585 BFGS: 8653 16:28:07 -300.920956 0.017803 BFGS: 8654 16:28:07 -300.904945 0.112679 BFGS: 8655 16:28:07 -300.915050 0.008956 BFGS: 8656 16:28:07 -300.912640 0.112499 BFGS: 8657 16:28:07 -300.914173 0.007503 BFGS: 8658 16:28:07 -300.913612 0.007262 BFGS: 8659 16:28:07 -300.905207 0.006623 BFGS: 8660 16:28:07 -300.903229 0.112714 BFGS: 8661 16:28:07 -300.904908 0.112683 BFGS: 8662 16:28:07 -300.935274 0.037019 BFGS: 8663 16:28:07 -300.920019 0.014834 BFGS: 8664 16:28:07 -300.905369 0.112737 BFGS: 8665 16:28:07 -300.915040 0.007822 BFGS: 8666 16:28:07 -300.912899 0.112580 BFGS: 8667 16:28:07 -300.914296 0.007498 BFGS: 8668 16:28:07 -300.914149 0.112561 BFGS: 8669 16:28:07 -300.914505 0.112561 BFGS: 8670 16:28:07 -300.944602 0.040608 BFGS: 8671 16:28:07 -300.926986 0.019909 BFGS: 8672 16:28:07 -300.903489 0.112656 BFGS: 8673 16:28:07 -300.918293 0.009844 BFGS: 8674 16:28:08 -300.914566 0.112634 BFGS: 8675 16:28:08 -300.916913 0.008457 BFGS: 8676 16:28:08 -300.916061 0.008106 BFGS: 8677 16:28:08 -300.905066 0.112752 BFGS: 8678 16:28:08 -300.913647 0.112655 BFGS: 8679 16:28:08 -300.938790 0.037021 BFGS: 8680 16:28:08 -300.924315 0.017709 BFGS: 8681 16:28:08 -300.905950 0.112823 BFGS: 8682 16:28:08 -300.917534 0.008735 BFGS: 8683 16:28:08 -300.914713 0.112695 BFGS: 8684 16:28:08 -300.916490 0.008298 BFGS: 8685 16:28:08 -300.916182 0.112678 BFGS: 8686 16:28:08 -300.916287 0.008213 BFGS: 8687 16:28:08 -300.916148 0.008154 BFGS: 8688 16:28:08 -300.907783 0.112930 BFGS: 8689 16:28:08 -300.914347 0.112747 BFGS: 8690 16:28:08 -300.934090 0.034353 BFGS: 8691 16:28:08 -300.922726 0.016333 BFGS: 8692 16:28:08 -300.907877 0.112955 BFGS: 8693 16:28:08 -300.917242 0.008560 BFGS: 8694 16:28:08 -300.915014 0.112755 BFGS: 8695 16:28:08 -300.916420 0.008251 BFGS: 8696 16:28:08 -300.916234 0.112727 BFGS: 8697 16:28:08 -300.916608 0.112725 BFGS: 8698 16:28:08 -300.942547 0.038543 BFGS: 8699 16:28:08 -300.927204 0.018973 BFGS: 8700 16:28:09 -300.905626 0.112848 BFGS: 8701 16:28:09 -300.919143 0.009287 BFGS: 8702 16:28:09 -300.915748 0.112776 BFGS: 8703 16:28:09 -300.918073 0.072204 BFGS: 8704 16:28:09 -300.917019 0.008241 BFGS: 8705 16:28:09 -300.916019 0.112776 BFGS: 8706 16:28:09 -300.916549 0.112774 BFGS: 8707 16:28:09 -300.942920 0.037952 BFGS: 8708 16:28:09 -300.927341 0.018423 BFGS: 8709 16:28:09 -300.906171 0.112900 BFGS: 8710 16:28:09 -300.919438 0.009395 BFGS: 8711 16:28:09 -300.916122 0.112824 BFGS: 8712 16:28:09 -300.918203 0.008900 BFGS: 8713 16:28:09 -300.917783 0.112813 BFGS: 8714 16:28:09 -300.917953 0.008805 BFGS: 8715 16:28:09 -300.917788 0.008745 BFGS: 8716 16:28:09 -300.908043 0.113012 BFGS: 8717 16:28:09 -300.915831 0.007990 BFGS: 8718 16:28:09 -300.913867 0.112895 BFGS: 8719 16:28:09 -300.915148 0.112875 BFGS: 8720 16:28:09 -300.938962 0.035671 BFGS: 8721 16:28:09 -300.925556 0.072226 BFGS: 8722 16:28:09 -300.840759 0.114241 BFGS: 8723 16:28:09 -300.902377 0.113086 BFGS: 8724 16:28:09 -300.937617 0.035004 BFGS: 8725 16:28:10 -300.921370 0.011647 BFGS: 8726 16:28:10 -300.908076 0.113008 BFGS: 8727 16:28:10 -300.917435 0.112816 BFGS: 8728 16:28:10 -300.936950 0.034382 BFGS: 8729 16:28:10 -300.925225 0.017145 BFGS: 8730 16:28:10 -300.908524 0.113039 BFGS: 8731 16:28:10 -300.918896 0.009159 BFGS: 8732 16:28:10 -300.916346 0.112867 BFGS: 8733 16:28:10 -300.917932 0.008817 BFGS: 8734 16:28:10 -300.917672 0.112841 BFGS: 8735 16:28:10 -300.918303 0.008748 BFGS: 8736 16:28:10 -300.917945 0.112840 BFGS: 8737 16:28:10 -300.918040 0.112841 BFGS: 8738 16:28:10 -300.954675 0.040620 BFGS: 8739 16:28:10 -300.933106 0.019697 BFGS: 8740 16:28:10 -300.902910 0.112678 BFGS: 8741 16:28:10 -300.921959 0.010301 BFGS: 8742 16:28:10 -300.917054 0.112879 BFGS: 8743 16:28:10 -300.920189 0.009584 BFGS: 8744 16:28:10 -300.919067 0.009166 BFGS: 8745 16:28:10 -300.904708 0.112803 BFGS: 8746 16:28:10 -300.915857 0.112873 BFGS: 8747 16:28:10 -300.948726 0.071879 BFGS: 8748 16:28:10 -300.925898 0.013639 BFGS: 8749 16:28:11 -300.916905 0.112923 BFGS: 8750 16:28:11 -300.922215 0.010353 BFGS: 8751 16:28:11 -300.920234 0.009647 BFGS: 8752 16:28:11 -300.906391 0.112943 BFGS: 8753 16:28:11 -300.917122 0.008516 BFGS: 8754 16:28:11 -300.914417 0.112936 BFGS: 8755 16:28:11 -300.916208 0.112931 BFGS: 8756 16:28:11 -300.944386 0.036667 BFGS: 8757 16:28:11 -300.928173 0.016949 BFGS: 8758 16:28:11 -300.907371 0.113014 BFGS: 8759 16:28:11 -300.920533 0.009760 BFGS: 8760 16:28:11 -300.917286 0.112964 BFGS: 8761 16:28:11 -300.919337 0.009340 BFGS: 8762 16:28:11 -300.918935 0.112955 BFGS: 8763 16:28:11 -300.919439 0.112953 BFGS: 8764 16:28:11 -300.944154 0.036573 BFGS: 8765 16:28:11 -300.929433 0.072028 BFGS: 8766 16:28:11 -300.846135 0.113522 BFGS: 8767 16:28:11 -300.903492 0.113047 BFGS: 8768 16:28:11 -300.942615 0.036070 BFGS: 8769 16:28:11 -300.924022 0.012285 BFGS: 8770 16:28:11 -300.907900 0.113047 BFGS: 8771 16:28:11 -300.919100 0.112940 BFGS: 8772 16:28:11 -300.941667 0.035555 BFGS: 8773 16:28:12 -300.928054 0.017566 BFGS: 8774 16:28:12 -300.908486 0.113089 BFGS: 8775 16:28:12 -300.920838 0.072024 BFGS: 8776 16:28:12 -300.914703 0.113018 BFGS: 8777 16:28:12 -300.917500 0.112985 BFGS: 8778 16:28:12 -300.940991 0.035043 BFGS: 8779 16:28:12 -300.927473 0.072078 BFGS: 8780 16:28:12 -300.845779 0.114057 BFGS: 8781 16:28:12 -300.903912 0.113167 BFGS: 8782 16:28:12 -300.939727 0.034598 BFGS: 8783 16:28:12 -300.923030 0.011410 BFGS: 8784 16:28:12 -300.909038 0.113115 BFGS: 8785 16:28:12 -300.918843 0.112951 BFGS: 8786 16:28:12 -300.939079 0.034232 BFGS: 8787 16:28:12 -300.926902 0.016861 BFGS: 8788 16:28:12 -300.909461 0.113144 BFGS: 8789 16:28:12 -300.920293 0.009655 BFGS: 8790 16:28:12 -300.917613 0.112995 BFGS: 8791 16:28:12 -300.919622 0.112961 BFGS: 8792 16:28:12 -300.939438 0.072310 BFGS: 8793 16:28:12 -300.925058 0.013981 BFGS: 8794 16:28:12 -300.918687 0.112993 BFGS: 8795 16:28:12 -300.922177 0.010348 BFGS: 8796 16:28:13 -300.920722 0.009807 BFGS: 8797 16:28:13 -300.909621 0.113166 BFGS: 8798 16:28:13 -300.917916 0.113011 BFGS: 8799 16:28:13 -300.938859 0.034000 BFGS: 8800 16:28:13 -300.926569 0.016023 BFGS: 8801 16:28:13 -300.909974 0.113192 BFGS: 8802 16:28:13 -300.920373 0.009696 BFGS: 8803 16:28:13 -300.917843 0.113033 BFGS: 8804 16:28:13 -300.919767 0.112998 BFGS: 8805 16:28:13 -300.939196 0.034024 BFGS: 8806 16:28:13 -300.927396 0.016826 BFGS: 8807 16:28:13 -300.910097 0.113208 BFGS: 8808 16:28:13 -300.920807 0.009856 BFGS: 8809 16:28:13 -300.918150 0.113051 BFGS: 8810 16:28:13 -300.920141 0.113015 BFGS: 8811 16:28:13 -300.939469 0.033984 BFGS: 8812 16:28:13 -300.927685 0.016858 BFGS: 8813 16:28:13 -300.910251 0.113226 BFGS: 8814 16:28:13 -300.921031 0.009941 BFGS: 8815 16:28:13 -300.918349 0.113070 BFGS: 8816 16:28:13 -300.920353 0.113035 BFGS: 8817 16:28:13 -300.939709 0.033925 BFGS: 8818 16:28:13 -300.927903 0.016799 BFGS: 8819 16:28:13 -300.910417 0.113245 BFGS: 8820 16:28:14 -300.921227 0.010016 BFGS: 8821 16:28:14 -300.918536 0.113090 BFGS: 8822 16:28:14 -300.920546 0.113055 BFGS: 8823 16:28:14 -300.939925 0.033854 BFGS: 8824 16:28:14 -300.928103 0.016726 BFGS: 8825 16:28:14 -300.910590 0.113264 BFGS: 8826 16:28:14 -300.921417 0.010090 BFGS: 8827 16:28:14 -300.918721 0.113110 BFGS: 8828 16:28:14 -300.920734 0.113074 BFGS: 8829 16:28:14 -300.940127 0.033779 BFGS: 8830 16:28:14 -300.928296 0.016649 BFGS: 8831 16:28:14 -300.910768 0.113283 BFGS: 8832 16:28:14 -300.921603 0.010163 BFGS: 8833 16:28:14 -300.918905 0.113130 BFGS: 8834 16:28:14 -300.920919 0.113094 BFGS: 8835 16:28:14 -300.940315 0.033698 BFGS: 8836 16:28:14 -300.928481 0.016569 BFGS: 8837 16:28:14 -300.910948 0.113302 BFGS: 8838 16:28:14 -300.921982 0.071879 BFGS: 8839 16:28:14 -300.916496 0.113196 BFGS: 8840 16:28:14 -300.919005 0.113151 BFGS: 8841 16:28:14 -300.940434 0.033576 BFGS: 8842 16:28:14 -300.927910 0.015429 BFGS: 8843 16:28:14 -300.911157 0.113322 BFGS: 8844 16:28:14 -300.921672 0.010213 BFGS: 8845 16:28:15 -300.919116 0.113171 BFGS: 8846 16:28:15 -300.921057 0.113137 BFGS: 8847 16:28:15 -300.940648 0.033526 BFGS: 8848 16:28:15 -300.928749 0.016290 BFGS: 8849 16:28:15 -300.911317 0.113341 BFGS: 8850 16:28:15 -300.922111 0.010366 BFGS: 8851 16:28:15 -300.919430 0.113188 BFGS: 8852 16:28:15 -300.921434 0.113153 BFGS: 8853 16:28:15 -300.940826 0.033445 BFGS: 8854 16:28:15 -300.928999 0.016313 BFGS: 8855 16:28:15 -300.911710 0.009799 BFGS: 8856 16:28:15 -300.909968 0.113385 BFGS: 8857 16:28:15 -300.911418 0.113361 BFGS: 8858 16:28:15 -300.941482 0.033586 BFGS: 8859 16:28:15 -300.926560 0.071847 BFGS: 8860 16:28:15 -300.823465 0.129316 BFGS: 8861 16:28:15 -300.897346 0.113594 BFGS: 8862 16:28:15 -300.973144 0.082235 BFGS: 8863 16:28:15 -300.928630 0.071931 BFGS: 8864 16:28:15 -300.867328 0.114191 BFGS: 8865 16:28:15 -300.908940 0.013324 BFGS: 8866 16:28:15 -300.909495 0.113380 BFGS: 8867 16:28:15 -300.910328 0.113343 BFGS: 8868 16:28:15 -300.928031 0.022346 BFGS: 8869 16:28:16 -300.921000 0.112994 BFGS: 8870 16:28:16 -300.924104 0.072055 BFGS: 8871 16:28:16 -300.922015 0.071982 BFGS: 8872 16:28:16 -300.897780 0.113747 BFGS: 8873 16:28:16 -300.912305 0.113279 BFGS: 8874 16:28:16 -300.935747 0.030334 BFGS: 8875 16:28:16 -300.923942 0.011662 BFGS: 8876 16:28:16 -300.911991 0.009120 BFGS: 8877 16:28:16 -300.910183 0.113341 BFGS: 8878 16:28:16 -300.911689 0.113298 BFGS: 8879 16:28:16 -300.937436 0.032239 BFGS: 8880 16:28:16 -300.924673 0.071994 BFGS: 8881 16:28:16 -300.820598 0.142189 BFGS: 8882 16:28:16 -300.903514 0.113497 BFGS: 8883 16:28:16 -300.937259 0.032491 BFGS: 8884 16:28:16 -300.922520 0.010453 BFGS: 8885 16:28:16 -300.911445 0.113294 BFGS: 8886 16:28:16 -300.919414 0.113082 BFGS: 8887 16:28:16 -300.937123 0.032258 BFGS: 8888 16:28:16 -300.926532 0.015488 BFGS: 8889 16:28:16 -300.911548 0.113300 BFGS: 8890 16:28:16 -300.920876 0.009845 BFGS: 8891 16:28:16 -300.918612 0.113112 BFGS: 8892 16:28:16 -300.920355 0.113069 BFGS: 8893 16:28:17 -300.937761 0.032616 BFGS: 8894 16:28:17 -300.927151 0.016084 BFGS: 8895 16:28:17 -300.911415 0.113299 BFGS: 8896 16:28:17 -300.921146 0.009939 BFGS: 8897 16:28:17 -300.918751 0.113117 BFGS: 8898 16:28:17 -300.920570 0.113076 BFGS: 8899 16:28:17 -300.938488 0.072264 BFGS: 8900 16:28:17 -300.925639 0.071999 BFGS: 8901 16:28:17 -300.893298 0.113692 BFGS: 8902 16:28:17 -300.912581 0.009100 BFGS: 8903 16:28:17 -300.911372 0.113283 BFGS: 8904 16:28:17 -300.912281 0.113265 BFGS: 8905 16:28:17 -300.939600 0.033574 BFGS: 8906 16:28:17 -300.925545 0.012634 BFGS: 8907 16:28:17 -300.911135 0.113303 BFGS: 8908 16:28:17 -300.921136 0.009831 BFGS: 8909 16:28:17 -300.918190 0.113161 BFGS: 8910 16:28:17 -300.920000 0.113128 BFGS: 8911 16:28:17 -300.939903 0.033473 BFGS: 8912 16:28:17 -300.928010 0.015939 BFGS: 8913 16:28:17 -300.911143 0.113308 BFGS: 8914 16:28:17 -300.921651 0.010135 BFGS: 8915 16:28:17 -300.919283 0.009415 BFGS: 8916 16:28:17 -300.900364 0.113501 BFGS: 8917 16:28:18 -300.915537 0.113222 BFGS: 8918 16:28:18 -300.939540 0.033157 BFGS: 8919 16:28:18 -300.926450 0.013696 BFGS: 8920 16:28:18 -300.911348 0.113318 BFGS: 8921 16:28:18 -300.921397 0.113115 BFGS: 8922 16:28:18 -300.939325 0.032907 BFGS: 8923 16:28:18 -300.928290 0.016376 BFGS: 8924 16:28:18 -300.911524 0.113331 BFGS: 8925 16:28:18 -300.921859 0.010207 BFGS: 8926 16:28:18 -300.919285 0.113168 BFGS: 8927 16:28:18 -300.921213 0.113130 BFGS: 8928 16:28:18 -300.939627 0.033043 BFGS: 8929 16:28:18 -300.928369 0.016252 BFGS: 8930 16:28:18 -300.911527 0.113337 BFGS: 8931 16:28:18 -300.921934 0.010239 BFGS: 8932 16:28:18 -300.919349 0.113178 BFGS: 8933 16:28:18 -300.921287 0.113141 BFGS: 8934 16:28:18 -300.939900 0.033120 BFGS: 8935 16:28:18 -300.928529 0.016248 BFGS: 8936 16:28:18 -300.911545 0.113343 BFGS: 8937 16:28:18 -300.922043 0.010281 BFGS: 8938 16:28:18 -300.919650 0.009569 BFGS: 8939 16:28:18 -300.901240 0.113535 BFGS: 8940 16:28:18 -300.915954 0.113254 BFGS: 8941 16:28:19 -300.939565 0.032873 BFGS: 8942 16:28:19 -300.926667 0.013546 BFGS: 8943 16:28:19 -300.911957 0.009733 BFGS: 8944 16:28:19 -300.910215 0.113382 BFGS: 8945 16:28:19 -300.911669 0.113355 BFGS: 8946 16:28:19 -300.940205 0.033137 BFGS: 8947 16:28:19 -300.925850 0.011860 BFGS: 8948 16:28:19 -300.911778 0.113368 BFGS: 8949 16:28:19 -300.921408 0.113179 BFGS: 8950 16:28:19 -300.939999 0.032841 BFGS: 8951 16:28:19 -300.928684 0.015958 BFGS: 8952 16:28:19 -300.911946 0.113380 BFGS: 8953 16:28:19 -300.922305 0.010393 BFGS: 8954 16:28:19 -300.919739 0.113222 BFGS: 8955 16:28:19 -300.921666 0.113185 BFGS: 8956 16:28:19 -300.940249 0.032916 BFGS: 8957 16:28:19 -300.928900 0.016055 BFGS: 8958 16:28:19 -300.911959 0.113385 BFGS: 8959 16:28:19 -300.922432 0.010438 BFGS: 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9033 16:28:22 -300.909805 0.113386 BFGS: 9034 16:28:22 -300.925637 0.011633 BFGS: 9035 16:28:22 -300.921592 0.113464 BFGS: 9036 16:28:23 -300.924493 0.113484 BFGS: 9037 16:28:23 -300.952470 0.035694 BFGS: 9038 16:28:23 -300.935483 0.016666 BFGS: 9039 16:28:23 -300.909761 0.113378 BFGS: 9040 16:28:23 -300.925733 0.011667 BFGS: 9041 16:28:23 -300.921633 0.113464 BFGS: 9042 16:28:23 -300.924564 0.113485 BFGS: 9043 16:28:23 -300.952715 0.071253 BFGS: 9044 16:28:23 -300.932373 0.013903 BFGS: 9045 16:28:23 -300.923053 0.113475 BFGS: 9046 16:28:23 -300.928198 0.012432 BFGS: 9047 16:28:23 -300.926092 0.011783 BFGS: 9048 16:28:23 -300.909742 0.113372 BFGS: 9049 16:28:23 -300.921820 0.113464 BFGS: 9050 16:28:23 -300.952533 0.035503 BFGS: 9051 16:28:23 -300.934580 0.015589 BFGS: 9052 16:28:23 -300.909749 0.113371 BFGS: 9053 16:28:23 -300.925720 0.113494 BFGS: 9054 16:28:23 -300.952548 0.035479 BFGS: 9055 16:28:23 -300.936161 0.071388 BFGS: 9056 16:28:23 -300.852125 0.113087 BFGS: 9057 16:28:23 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0.016624 BFGS: 9082 16:28:25 -300.909738 0.113369 BFGS: 9083 16:28:25 -300.925789 0.011710 BFGS: 9084 16:28:25 -300.921667 0.113465 BFGS: 9085 16:28:25 -300.924612 0.113489 BFGS: 9086 16:28:25 -300.952663 0.035461 BFGS: 9087 16:28:25 -300.935612 0.016620 BFGS: 9088 16:28:25 -300.909735 0.113368 BFGS: 9089 16:28:25 -300.925797 0.011714 BFGS: 9090 16:28:25 -300.921672 0.113466 BFGS: 9091 16:28:25 -300.924619 0.113489 BFGS: 9092 16:28:25 -300.952689 0.035457 BFGS: 9093 16:28:25 -300.935822 0.071383 BFGS: 9094 16:28:25 -300.846553 0.113004 BFGS: 9095 16:28:25 -300.906058 0.113353 BFGS: 9096 16:28:25 -300.952832 0.071258 BFGS: 9097 16:28:25 -300.924866 0.113492 BFGS: 9098 16:28:25 -300.932573 0.014046 BFGS: 9099 16:28:25 -300.928963 0.012702 BFGS: 9100 16:28:25 -300.909728 0.113373 BFGS: 9101 16:28:25 -300.923266 0.113480 BFGS: 9102 16:28:25 -300.952696 0.035522 BFGS: 9103 16:28:25 -300.935151 0.016104 BFGS: 9104 16:28:25 -300.909737 0.113370 BFGS: 9105 16:28:26 -300.925620 0.011657 BFGS: 9106 16:28:26 -300.921581 0.113466 BFGS: 9107 16:28:26 -300.924486 0.113490 BFGS: 9108 16:28:26 -300.952720 0.035493 BFGS: 9109 16:28:26 -300.935594 0.016564 BFGS: 9110 16:28:26 -300.909733 0.113368 BFGS: 9111 16:28:26 -300.925797 0.011711 BFGS: 9112 16:28:26 -300.921675 0.113467 BFGS: 9113 16:28:26 -300.924621 0.113491 BFGS: 9114 16:28:26 -300.952748 0.035475 BFGS: 9115 16:28:26 -300.935655 0.016608 BFGS: 9116 16:28:26 -300.909729 0.113367 BFGS: 9117 16:28:26 -300.925823 0.011722 BFGS: 9118 16:28:26 -300.921689 0.113468 BFGS: 9119 16:28:26 -300.924642 0.113492 BFGS: 9120 16:28:26 -300.952968 0.071217 BFGS: 9121 16:28:26 -300.932695 0.071409 BFGS: 9122 16:28:26 -300.881222 0.113109 BFGS: 9123 16:28:26 -300.911527 0.113381 BFGS: 9124 16:28:26 -300.952805 0.035488 BFGS: 9125 16:28:26 -300.931876 0.071416 BFGS: 9126 16:28:26 -300.836168 0.112794 BFGS: 9127 16:28:26 -300.903396 0.113318 BFGS: 9128 16:28:27 -300.952808 0.035512 BFGS: 9129 16:28:27 -300.929768 0.013001 BFGS: 9130 16:28:27 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0.113098 BFGS: 9666 16:28:50 -300.931599 0.030383 BFGS: 9667 16:28:50 -300.921066 0.011602 BFGS: 9668 16:28:50 -300.910968 0.008620 BFGS: 9669 16:28:50 -300.909491 0.113132 BFGS: 9670 16:28:50 -300.910689 0.113099 BFGS: 9671 16:28:50 -300.931796 0.030489 BFGS: 9672 16:28:50 -300.921160 0.011632 BFGS: 9673 16:28:50 -300.910741 0.113103 BFGS: 9674 16:28:50 -300.918154 0.008558 BFGS: 9675 16:28:50 -300.915947 0.112961 BFGS: 9676 16:28:50 -300.917271 0.112925 BFGS: 9677 16:28:50 -300.932161 0.030668 BFGS: 9678 16:28:50 -300.923260 0.015045 BFGS: 9679 16:28:51 -300.910706 0.113105 BFGS: 9680 16:28:51 -300.918513 0.008820 BFGS: 9681 16:28:51 -300.916664 0.112951 BFGS: 9682 16:28:51 -300.918122 0.112914 BFGS: 9683 16:28:51 -300.932565 0.030892 BFGS: 9684 16:28:51 -300.923748 0.015600 BFGS: 9685 16:28:51 -300.910662 0.113106 BFGS: 9686 16:28:51 -300.918742 0.008896 BFGS: 9687 16:28:51 -300.916799 0.112956 BFGS: 9688 16:28:51 -300.918312 0.112919 BFGS: 9689 16:28:51 -300.933173 0.072350 BFGS: 9690 16:28:51 -300.922315 0.012902 BFGS: 9691 16:28:51 -300.917592 0.112943 BFGS: 9692 16:28:51 -300.920138 0.009365 BFGS: 9693 16:28:51 -300.919039 0.008992 BFGS: 9694 16:28:51 -300.910729 0.113115 BFGS: 9695 16:28:51 -300.916997 0.112963 BFGS: 9696 16:28:51 -300.932968 0.031010 BFGS: 9697 16:28:51 -300.923568 0.014847 BFGS: 9698 16:28:51 -300.910752 0.113118 BFGS: 9699 16:28:51 -300.918766 0.008917 BFGS: 9700 16:28:51 -300.916876 0.112974 BFGS: 9701 16:28:51 -300.918367 0.112939 BFGS: 9702 16:28:51 -300.933369 0.031216 BFGS: 9703 16:28:51 -300.924231 0.015684 BFGS: 9704 16:28:52 -300.910706 0.113119 BFGS: 9705 16:28:52 -300.919066 0.009013 BFGS: 9706 16:28:52 -300.917048 0.112978 BFGS: 9707 16:28:52 -300.918611 0.112944 BFGS: 9708 16:28:52 -300.933784 0.031431 BFGS: 9709 16:28:52 -300.924511 0.015859 BFGS: 9710 16:28:52 -300.910658 0.113121 BFGS: 9711 16:28:52 -300.919213 0.009064 BFGS: 9712 16:28:52 -300.917138 0.112984 BFGS: 9713 16:28:52 -300.918736 0.112952 BFGS: 9714 16:28:52 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0.113011 BFGS: 9739 16:28:53 -300.935635 0.032306 BFGS: 9740 16:28:53 -300.924952 0.015262 BFGS: 9741 16:28:53 -300.910477 0.113128 BFGS: 9742 16:28:53 -300.919559 0.009202 BFGS: 9743 16:28:53 -300.917388 0.113019 BFGS: 9744 16:28:53 -300.919067 0.112993 BFGS: 9745 16:28:53 -300.936055 0.032494 BFGS: 9746 16:28:53 -300.925735 0.016211 BFGS: 9747 16:28:54 -300.910427 0.113129 BFGS: 9748 16:28:54 -300.919907 0.009313 BFGS: 9749 16:28:54 -300.917800 0.008673 BFGS: 9750 16:28:54 -300.900480 0.113258 BFGS: 9751 16:28:54 -300.914344 0.113069 BFGS: 9752 16:28:54 -300.936349 0.032649 BFGS: 9753 16:28:54 -300.924549 0.072024 BFGS: 9754 16:28:54 -300.844916 0.114184 BFGS: 9755 16:28:54 -300.904455 0.113219 BFGS: 9756 16:28:54 -300.936517 0.032775 BFGS: 9757 16:28:54 -300.922030 0.010273 BFGS: 9758 16:28:54 -300.910322 0.113131 BFGS: 9759 16:28:54 -300.918645 0.113013 BFGS: 9760 16:28:54 -300.936715 0.032822 BFGS: 9761 16:28:54 -300.925890 0.016031 BFGS: 9762 16:28:54 -300.910330 0.113131 BFGS: 9763 16:28:54 -300.920209 0.071966 BFGS: 9764 16:28:54 -300.915313 0.113064 BFGS: 9765 16:28:54 -300.917563 0.113035 BFGS: 9766 16:28:55 -300.937053 0.032941 BFGS: 9767 16:28:55 -300.925879 0.072014 BFGS: 9768 16:28:55 -300.861345 0.113901 BFGS: 9769 16:28:55 -300.906423 0.113189 BFGS: 9770 16:28:55 -300.937170 0.032991 BFGS: 9771 16:28:55 -300.922754 0.011016 BFGS: 9772 16:28:55 -300.910225 0.113135 BFGS: 9773 16:28:55 -300.919017 0.113023 BFGS: 9774 16:28:55 -300.937640 0.072116 BFGS: 9775 16:28:55 -300.924226 0.013090 BFGS: 9776 16:28:55 -300.918455 0.113036 BFGS: 9777 16:28:55 -300.921840 0.071964 BFGS: 9778 16:28:55 -300.919519 0.009230 BFGS: 9779 16:28:55 -300.918843 0.113035 BFGS: 9780 16:28:55 -300.919738 0.009140 BFGS: 9781 16:28:55 -300.919281 0.113030 BFGS: 9782 16:28:55 -300.919435 0.113029 BFGS: 9783 16:28:55 -300.939370 0.072025 BFGS: 9784 16:28:55 -300.924986 0.013584 BFGS: 9785 16:28:55 -300.918696 0.113042 BFGS: 9786 16:28:56 -300.922167 0.010077 BFGS: 9787 16:28:56 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9836 16:28:58 -300.908476 0.112359 BFGS: 9837 16:28:58 -300.908488 0.112352 BFGS: 9838 16:28:58 -300.908785 0.112246 BFGS: 9839 16:28:58 -300.908975 0.007386 BFGS: 9840 16:28:58 -300.909078 0.112284 BFGS: 9841 16:28:58 -300.909185 0.112391 BFGS: 9842 16:28:58 -300.909952 0.112785 BFGS: 9843 16:28:58 -300.911091 0.113085 BFGS: 9844 16:28:58 -300.916077 0.113982 BFGS: 9845 16:28:58 -300.926811 0.115385 BFGS: 9846 16:28:58 -300.949495 0.117640 BFGS: 9847 16:28:59 -300.977780 0.119635 BFGS: 9848 16:28:59 -300.993197 0.038365 BFGS: 9849 16:28:59 -300.977478 0.027735 BFGS: 9850 16:28:59 -300.931096 0.023144 BFGS: 9851 16:28:59 -300.896544 0.111109 BFGS: 9852 16:28:59 -300.921428 0.113432 BFGS: 9853 16:28:59 -300.989792 0.034523 BFGS: 9854 16:28:59 -300.949924 0.020125 BFGS: 9855 16:28:59 -300.894541 0.111333 BFGS: 9856 16:28:59 -300.929800 0.114186 BFGS: 9857 16:28:59 -300.990249 0.034301 BFGS: 9858 16:28:59 -300.953019 0.021208 BFGS: 9859 16:28:59 -300.894519 0.111349 BFGS: 9860 16:28:59 -300.931010 0.114284 BFGS: 9861 16:28:59 -300.990240 0.034312 BFGS: 9862 16:28:59 -300.953474 0.021370 BFGS: 9863 16:28:59 -300.894523 0.111351 BFGS: 9864 16:28:59 -300.931401 0.013461 BFGS: 9865 16:28:59 -300.920403 0.009665 BFGS: 9866 16:28:59 -300.889423 0.110942 BFGS: 9867 16:28:59 -300.913094 0.112846 BFGS: 9868 16:28:59 -300.987530 0.033381 BFGS: 9869 16:28:59 -300.946673 0.018994 BFGS: 9870 16:28:59 -300.894506 0.111349 BFGS: 9871 16:28:59 -300.928675 0.012508 BFGS: 9872 16:28:59 -300.918751 0.113301 BFGS: 9873 16:29:00 -300.925074 0.113811 BFGS: 9874 16:29:00 -300.990194 0.034340 BFGS: 9875 16:29:00 -300.951283 0.020608 BFGS: 9876 16:29:00 -300.894525 0.111351 BFGS: 9877 16:29:00 -300.930335 0.114230 BFGS: 9878 16:29:00 -300.990225 0.034342 BFGS: 9879 16:29:00 -300.953211 0.021282 BFGS: 9880 16:29:00 -300.894531 0.111351 BFGS: 9881 16:29:00 -300.931086 0.114290 BFGS: 9882 16:29:00 -300.990219 0.034337 BFGS: 9883 16:29:00 -300.953494 0.021381 BFGS: 9884 16:29:00 -300.894534 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-300.969018 0.026837 BFGS: 9934 16:29:02 -300.936183 0.015325 BFGS: 9935 16:29:02 -300.894703 0.006782 BFGS: 9936 16:29:02 -300.888837 0.110888 BFGS: 9937 16:29:02 -300.894223 0.111322 BFGS: 9938 16:29:02 -300.968938 0.026814 BFGS: 9939 16:29:02 -300.936137 0.015309 BFGS: 9940 16:29:02 -300.894489 0.111341 BFGS: 9941 16:29:02 -300.923926 0.010851 BFGS: 9942 16:29:02 -300.916110 0.113087 BFGS: 9943 16:29:02 -300.921338 0.113509 BFGS: 9944 16:29:02 -300.990090 0.034316 BFGS: 9945 16:29:03 -300.949949 0.020141 BFGS: 9946 16:29:03 -300.894562 0.111350 BFGS: 9947 16:29:03 -300.929809 0.114188 BFGS: 9948 16:29:03 -300.990322 0.065966 BFGS: 9949 16:29:03 -300.946399 0.018895 BFGS: 9950 16:29:03 -300.924905 0.113795 BFGS: 9951 16:29:03 -300.936720 0.015505 BFGS: 9952 16:29:03 -300.932280 0.114389 BFGS: 9953 16:29:03 -300.935045 0.114612 BFGS: 9954 16:29:03 -300.990033 0.034290 BFGS: 9955 16:29:03 -300.954981 0.021903 BFGS: 9956 16:29:03 -300.894578 0.111351 BFGS: 9957 16:29:03 -300.931762 0.114345 BFGS: 9958 16:29:03 -300.990113 0.034303 BFGS: 9959 16:29:03 -300.953709 0.021455 BFGS: 9960 16:29:03 -300.894577 0.111350 BFGS: 9961 16:29:03 -300.931281 0.114306 BFGS: 9962 16:29:03 -300.990111 0.034302 BFGS: 9963 16:29:03 -300.953524 0.021389 BFGS: 9964 16:29:03 -300.894794 0.006772 BFGS: 9965 16:29:03 -300.889062 0.110905 BFGS: 9966 16:29:03 -300.894533 0.006796 BFGS: 9967 16:29:03 -300.894080 0.111309 BFGS: 9968 16:29:03 -300.894522 0.006797 BFGS: 9969 16:29:03 -300.894295 0.111326 BFGS: 9970 16:29:03 -300.894306 0.111327 BFGS: 9971 16:29:04 -300.966607 0.025797 BFGS: 9972 16:29:04 -300.935414 0.114815 BFGS: 9973 16:29:04 -300.948435 0.019426 BFGS: 9974 16:29:04 -300.941693 0.017099 BFGS: 9975 16:29:04 -300.894591 0.111348 BFGS: 9976 16:29:04 -300.926127 0.114026 BFGS: 9977 16:29:04 -300.988287 0.033370 BFGS: 9978 16:29:04 -300.950735 0.020268 BFGS: 9979 16:29:04 -300.894686 0.111358 BFGS: 9980 16:29:04 -300.929904 0.114346 BFGS: 9981 16:29:04 -300.988276 0.033416 BFGS: 9982 16:29:04 -300.952129 0.020765 BFGS: 9983 16:29:04 -300.894692 0.111359 BFGS: 9984 16:29:04 -300.930444 0.114392 BFGS: 9985 16:29:04 -300.988272 0.033435 BFGS: 9986 16:29:04 -300.952333 0.020840 BFGS: 9987 16:29:04 -300.894695 0.111360 BFGS: 9988 16:29:04 -300.930523 0.114399 BFGS: 9989 16:29:04 -300.988269 0.033444 BFGS: 9990 16:29:04 -300.952362 0.020852 BFGS: 9991 16:29:04 -300.894698 0.111360 BFGS: 9992 16:29:04 -300.930535 0.114400 BFGS: 9993 16:29:04 -300.988265 0.033447 BFGS: 9994 16:29:04 -300.952364 0.020853 BFGS: 9995 16:29:04 -300.894700 0.111360 BFGS: 9996 16:29:04 -300.930536 0.114400 BFGS: 9997 16:29:05 -300.988262 0.033448 BFGS: 9998 16:29:05 -300.952364 0.020853 BFGS: 9999 16:29:05 -300.894918 0.006761 BFGS: 10000 16:29:05 -300.889284 0.110900 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0012303142980804147 eV/Angstrom Maximum stress component: 0.0017306030760643931 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[6.25018679e-01 0.00000000e+00 5.00006437e-01] [3.74981321e-01 1.00000000e+00 4.99993563e-01] [1.25018679e-01 5.00000000e-01 5.00006437e-01] [8.74981321e-01 5.00000000e-01 4.99993563e-01] [8.74961192e-01 4.14887310e-18 4.99913049e-01] [1.25038808e-01 1.00000000e+00 5.00086951e-01] [3.74961192e-01 5.00000000e-01 4.99913049e-01] [6.25038808e-01 5.00000000e-01 5.00086951e-01] [8.75023088e-01 7.50022879e-01 4.54145725e-05] [1.24976912e-01 7.50022879e-01 9.99954585e-01] [3.75023088e-01 2.50022879e-01 4.54145725e-05] [6.24976912e-01 2.50022879e-01 9.99954585e-01] [1.24976912e-01 2.49977121e-01 9.99954585e-01] [8.75023088e-01 2.49977121e-01 4.54145725e-05] [6.24976912e-01 7.49977121e-01 9.99954585e-01] [3.75023088e-01 7.49977121e-01 4.54145725e-05]] cellpar = Cell([[19.770070381671058, -2.0101683587361774e-15, 1.5824135565878266], [1.2282502214808339e-15, 13.970075545631335, -7.802272978437128e-15], [-5.334793291222679, 2.181946231631714e-17, 4.545414262112431]]) forces = [[-1.23031430e-03 1.72943057e-19 -5.55479285e-04] [ 1.23031430e-03 -1.72943057e-19 5.55479285e-04] [-1.23031430e-03 1.72943057e-19 -5.55479285e-04] [ 1.23031430e-03 -1.72943057e-19 5.55479285e-04] [ 1.94320462e-04 -4.07327318e-20 2.15886847e-04] [-1.94320462e-04 4.07327318e-20 -2.15886847e-04] [ 1.94320462e-04 -4.07327318e-20 2.15886847e-04] [-1.94320462e-04 4.07327318e-20 -2.15886847e-04] [-3.26918065e-04 -6.63574013e-04 -9.06879142e-05] [ 3.26918065e-04 -6.63574013e-04 9.06879142e-05] [-3.26918065e-04 -6.63574013e-04 -9.06879142e-05] [ 3.26918065e-04 -6.63574013e-04 9.06879142e-05] [ 3.26918065e-04 6.63574013e-04 9.06879142e-05] [-3.26918065e-04 6.63574013e-04 -9.06879142e-05] [ 3.26918065e-04 6.63574013e-04 9.06879142e-05] [-3.26918065e-04 6.63574013e-04 -9.06879142e-05]] stress = [ 1.73060308e-03 1.67458330e-03 1.69818658e-03 -4.78576170e-17 6.56659287e-06 8.27160091e-19] energy per atom = -18.805580237003646 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_mC16_12_2ij, while relaxed is A_cF4_225_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.