element(s): ['H', 'N'] AFLOW prototype label: AB_oP32_53_2i_abegh Parameter names: ['a', 'b/a', 'c/a', 'x3', 'y4', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 3 Parameter values for parameter set 0: ['8.9942', '0.42477374', '0.96531098', '0.86806826', '0.45184389', '0.11761711', '0.62639135', '0.70819501', '0.29333249', '0.33788329', '0.66494069', '0.60870673', '0.20597574'] Parameter values for parameter set 1: ['9.7071', '0.40766037', '1.0167918', '0.87776534', '0.093025559', '0.11100877', '0.61177555', '0.70809198', '0.22747052', '0.3296366', '0.66950361', '0.95135091', '0.20782446'] Parameter values for parameter set 2: ['9.0713', '0.43012578', '0.93858653', '0.86922564', '0.43623501', '0.14458606', '0.62258857', '0.7086024', '0.2804313', '0.33974928', '0.6657556', '0.59030142', '0.20543721'] model name: Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'N', 'N', 'N', 'N', 'N'] representative atom coordinates = [[0.70819501 0.29333249 0.33788329] [0.66494069 0.60870673 0.20597574] [0. 0. 0. ] [0.5 0. 0. ] [0.86806826 0. 0. ] [0.25 0.45184389 0.25 ] [0. 0.11761711 0.62639135]] spacegroup = 53 cell = [[8.9942, 0, 0], [0, 3.8205, 0], [0, 0, 8.6822]] ========================================= Step Time Energy fmax BFGS: 0 10:41:47 -88.260573 18.253341 BFGS: 1 10:41:47 -95.691611 15.941171 BFGS: 2 10:41:47 -86.954930 37.159472 BFGS: 3 10:41:47 -100.282275 3.248876 BFGS: 4 10:41:48 -95.327774 42.154334 BFGS: 5 10:41:48 -84.754928 46.976212 BFGS: 6 10:41:48 -89.631459 22.026141 BFGS: 7 10:41:48 -99.907826 15.396651 BFGS: 8 10:41:48 -96.943101 43.985227 BFGS: 9 10:41:48 -100.675705 12.519806 BFGS: 10 10:41:48 -97.820962 60.292553 BFGS: 11 10:41:48 -101.194706 8.346599 BFGS: 12 10:41:48 -101.329902 5.505334 BFGS: 13 10:41:48 -101.463425 3.102527 BFGS: 14 10:41:48 -101.442052 9.055347 BFGS: 15 10:41:48 -101.493050 1.924252 BFGS: 16 10:41:48 -101.498793 0.735447 BFGS: 17 10:41:49 -101.503317 0.765546 BFGS: 18 10:41:49 -101.505178 1.208762 BFGS: 19 10:41:49 -101.507870 0.541084 BFGS: 20 10:41:49 -101.511132 0.303627 BFGS: 21 10:41:49 -101.513479 0.397625 BFGS: 22 10:41:49 -101.521817 0.914505 BFGS: 23 10:41:49 -101.534166 1.434855 BFGS: 24 10:41:49 -101.547371 1.784900 BFGS: 25 10:41:49 -101.561103 1.996978 BFGS: 26 10:41:49 -101.574954 2.093914 BFGS: 27 10:41:49 -101.588615 2.381040 BFGS: 28 10:41:49 -101.601967 3.094838 BFGS: 29 10:41:49 -101.615040 3.800269 BFGS: 30 10:41:49 -101.627986 4.454048 BFGS: 31 10:41:50 -101.641051 5.009658 BFGS: 32 10:41:50 -101.654510 5.426593 BFGS: 33 10:41:50 -101.668615 5.672999 BFGS: 34 10:41:50 -101.686352 5.747005 BFGS: 35 10:41:50 -101.702094 5.658495 BFGS: 36 10:41:50 -101.718573 5.421936 BFGS: 37 10:41:50 -101.735558 5.079983 BFGS: 38 10:41:50 -101.752501 4.655033 BFGS: 39 10:41:50 -101.769018 4.185454 BFGS: 40 10:41:50 -101.785011 3.705283 BFGS: 41 10:41:50 -101.800488 3.220134 BFGS: 42 10:41:50 -101.815134 2.785169 BFGS: 43 10:41:51 -101.829080 2.382316 BFGS: 44 10:41:51 -101.842356 2.030409 BFGS: 45 10:41:51 -101.855144 1.719835 BFGS: 46 10:41:51 -101.867589 1.449910 BFGS: 47 10:41:51 -101.879830 1.215082 BFGS: 48 10:41:51 -101.891971 1.063253 BFGS: 49 10:41:51 -101.904086 1.119987 BFGS: 50 10:41:51 -101.916226 1.162973 BFGS: 51 10:41:51 -101.928420 1.193823 BFGS: 52 10:41:51 -101.940682 1.213973 BFGS: 53 10:41:51 -101.953013 1.224454 BFGS: 54 10:41:51 -101.965404 1.226341 BFGS: 55 10:41:51 -101.977837 1.220342 BFGS: 56 10:41:51 -101.990290 1.207162 BFGS: 57 10:41:52 -102.002733 1.187301 BFGS: 58 10:41:52 -102.015135 1.161396 BFGS: 59 10:41:52 -102.027453 1.129573 BFGS: 60 10:41:52 -102.039658 1.092727 BFGS: 61 10:41:52 -102.051685 1.050086 BFGS: 62 10:41:52 -102.071697 0.997864 BFGS: 63 10:41:52 -102.085208 1.063729 BFGS: 64 10:41:52 -102.095487 0.947093 BFGS: 65 10:41:52 -102.105917 0.863195 BFGS: 66 10:41:52 -102.115746 0.779333 BFGS: 67 10:41:52 -102.125176 0.693692 BFGS: 68 10:41:52 -102.133982 0.600958 BFGS: 69 10:41:52 -102.142338 0.513848 BFGS: 70 10:41:53 -102.150058 0.423683 BFGS: 71 10:41:53 -102.157176 0.332964 BFGS: 72 10:41:53 -102.163682 0.282701 BFGS: 73 10:41:53 -102.169461 0.256935 BFGS: 74 10:41:53 -102.174698 0.258013 BFGS: 75 10:41:53 -102.179217 0.230316 BFGS: 76 10:41:53 -102.183185 0.238700 BFGS: 77 10:41:53 -102.188588 0.133036 BFGS: 78 10:41:53 -102.190286 0.677416 BFGS: 79 10:41:53 -102.190885 0.927351 BFGS: 80 10:41:53 -102.202233 0.868636 BFGS: 81 10:41:54 -102.219516 1.470159 BFGS: 82 10:41:54 -102.232332 1.850030 BFGS: 83 10:41:54 -102.237857 2.125766 BFGS: 84 10:41:54 -102.248908 2.139334 BFGS: 85 10:41:54 -102.261918 2.035454 BFGS: 86 10:41:54 -102.271448 1.825998 BFGS: 87 10:41:55 -102.287653 1.464958 BFGS: 88 10:41:55 -102.297541 0.545040 BFGS: 89 10:41:55 -102.297841 0.188466 BFGS: 90 10:41:55 -102.294413 0.144828 BFGS: 91 10:41:55 -102.298587 0.617267 BFGS: 92 10:41:55 -102.299548 0.221337 BFGS: 93 10:41:55 -102.297412 0.529494 BFGS: 94 10:41:55 -102.300120 0.894032 BFGS: 95 10:41:55 -102.306147 1.342690 BFGS: 96 10:41:56 -102.312155 1.594558 BFGS: 97 10:41:56 -102.318220 1.666612 BFGS: 98 10:41:56 -102.324246 1.698792 BFGS: 99 10:41:56 -102.330201 1.695984 BFGS: 100 10:41:56 -102.336059 1.644465 BFGS: 101 10:41:56 -102.333035 1.521533 BFGS: 102 10:41:56 -102.337160 1.162853 BFGS: 103 10:41:56 -102.341089 0.681093 BFGS: 104 10:41:56 -102.351884 0.393751 BFGS: 105 10:41:56 -102.343797 0.411596 BFGS: 106 10:41:57 -102.344316 0.304942 BFGS: 107 10:41:57 -102.345277 0.260657 BFGS: 108 10:41:57 -102.346259 0.183366 BFGS: 109 10:41:57 -102.347684 0.387866 BFGS: 110 10:41:57 -102.349628 0.589470 BFGS: 111 10:41:57 -102.351823 0.683987 BFGS: 112 10:41:57 -102.354667 0.730918 BFGS: 113 10:41:57 -102.357684 0.698664 BFGS: 114 10:41:57 -102.362091 0.636342 BFGS: 115 10:41:57 -102.365357 0.774849 BFGS: 116 10:41:58 -102.369734 0.600560 BFGS: 117 10:41:58 -102.373596 0.894657 BFGS: 118 10:41:58 -102.377363 0.557167 BFGS: 119 10:41:58 -102.380130 1.002473 BFGS: 120 10:41:58 -102.382454 0.369390 BFGS: 121 10:41:58 -102.383825 0.891430 BFGS: 122 10:41:58 -102.384936 0.321603 BFGS: 123 10:41:58 -102.385907 0.477501 BFGS: 124 10:41:58 -102.387401 0.418367 BFGS: 125 10:41:58 -102.388666 0.321760 BFGS: 126 10:41:58 -102.389267 0.218393 BFGS: 127 10:41:58 -102.389535 0.144064 BFGS: 128 10:41:59 -102.389315 0.031863 BFGS: 129 10:41:59 -102.389044 0.094779 BFGS: 130 10:41:59 -102.388876 0.080405 BFGS: 131 10:41:59 -102.388908 0.022958 BFGS: 132 10:41:59 -102.389096 0.086523 BFGS: 133 10:41:59 -102.389265 0.115466 BFGS: 134 10:41:59 -102.389643 0.154721 BFGS: 135 10:41:59 -102.390253 0.234083 BFGS: 136 10:41:59 -102.391433 0.343568 BFGS: 137 10:41:59 -102.400621 0.423621 BFGS: 138 10:41:59 -102.402010 0.454858 BFGS: 139 10:42:00 -102.403811 0.444206 BFGS: 140 10:42:00 -102.396929 0.384808 BFGS: 141 10:42:00 -102.397958 0.342019 BFGS: 142 10:42:00 -102.398550 0.263130 BFGS: 143 10:42:00 -102.398650 0.379641 BFGS: 144 10:42:00 -102.398412 0.113639 BFGS: 145 10:42:00 -102.405865 0.511716 BFGS: 146 10:42:00 -102.393112 0.668056 BFGS: 147 10:42:00 -102.394527 0.106478 BFGS: 148 10:42:00 -102.398073 0.126375 BFGS: 149 10:42:00 -102.398062 0.127039 BFGS: 150 10:42:00 -102.394934 0.171633 BFGS: 151 10:42:01 -102.403529 0.139061 BFGS: 152 10:42:01 -102.406901 0.056573 BFGS: 153 10:42:01 -102.398262 0.021458 BFGS: 154 10:42:01 -102.394860 0.177758 BFGS: 155 10:42:01 -102.398146 0.064045 BFGS: 156 10:42:01 -102.406577 0.057874 BFGS: 157 10:42:01 -102.403457 0.038944 BFGS: 158 10:42:01 -102.398045 0.017314 BFGS: 159 10:42:01 -102.398045 0.021789 BFGS: 160 10:42:01 -102.410747 0.182875 BFGS: 161 10:42:01 -102.411771 0.029227 BFGS: 162 10:42:02 -102.397250 0.389801 BFGS: 163 10:42:02 -102.397587 0.053542 BFGS: 164 10:42:02 -102.411587 0.043302 BFGS: 165 10:42:02 -102.397714 0.056939 BFGS: 166 10:42:02 -102.397768 0.038066 BFGS: 167 10:42:02 -102.408682 0.657315 BFGS: 168 10:42:02 -102.394937 0.021598 BFGS: 169 10:42:02 -102.411819 0.024170 BFGS: 170 10:42:02 -102.398045 0.025083 BFGS: 171 10:42:02 -102.398028 0.016205 BFGS: 172 10:42:03 -102.411610 0.025277 BFGS: 173 10:42:03 -102.403476 0.030494 BFGS: 174 10:42:03 -102.398090 0.085720 BFGS: 175 10:42:03 -102.398102 0.019203 BFGS: 176 10:42:03 -102.403158 0.030930 BFGS: 177 10:42:03 -102.398057 0.017893 BFGS: 178 10:42:03 -102.403476 0.034260 BFGS: 179 10:42:04 -102.406494 0.029674 BFGS: 180 10:42:04 -102.398061 0.017004 BFGS: 181 10:42:04 -102.398046 0.016256 BFGS: 182 10:42:04 -102.411476 0.035986 BFGS: 183 10:42:04 -102.411858 0.026628 BFGS: 184 10:42:05 -102.398067 0.117298 BFGS: 185 10:42:05 -102.398081 0.019241 BFGS: 186 10:42:05 -102.411189 0.053793 BFGS: 187 10:42:05 -102.398015 0.019658 BFGS: 188 10:42:05 -102.394995 0.016313 BFGS: 189 10:42:05 -102.403448 0.030441 BFGS: 190 10:42:05 -102.414916 0.013331 BFGS: 191 10:42:05 -102.398074 0.018442 BFGS: 192 10:42:06 -102.398058 0.016912 BFGS: 193 10:42:06 -102.411078 0.058014 BFGS: 194 10:42:06 -102.411841 0.026300 BFGS: 195 10:42:06 -102.398024 0.131333 BFGS: 196 10:42:06 -102.398080 0.019343 BFGS: 197 10:42:06 -102.411028 0.063258 BFGS: 198 10:42:06 -102.398039 0.022297 BFGS: 199 10:42:06 -102.403453 0.029198 BFGS: 200 10:42:06 -102.398029 0.017129 BFGS: 201 10:42:07 -102.398028 0.015709 BFGS: 202 10:42:07 -102.410768 0.160376 BFGS: 203 10:42:07 -102.411705 0.034419 BFGS: 204 10:42:07 -102.397192 0.381082 BFGS: 205 10:42:07 -102.397760 0.032238 BFGS: 206 10:42:07 -102.410610 0.156994 BFGS: 207 10:42:07 -102.397954 0.055303 BFGS: 208 10:42:07 -102.403475 0.028694 BFGS: 209 10:42:07 -102.397995 0.027193 BFGS: 210 10:42:08 -102.398015 0.018080 BFGS: 211 10:42:08 -102.408570 0.695878 BFGS: 212 10:42:08 -102.411455 0.042442 BFGS: 213 10:42:09 -102.396942 0.197888 BFGS: 214 10:42:09 -102.397627 0.024388 BFGS: 215 10:42:09 -102.410220 0.191681 BFGS: 216 10:42:10 -102.397962 0.053111 BFGS: 217 10:42:10 -102.411722 0.025663 BFGS: 218 10:42:10 -102.398014 0.033425 BFGS: 219 10:42:10 -102.403516 0.029810 BFGS: 220 10:42:11 -102.406501 0.027369 BFGS: 221 10:42:11 -102.398051 0.019331 BFGS: 222 10:42:11 -102.406470 0.040074 BFGS: 223 10:42:12 -102.398076 0.031834 BFGS: 224 10:42:12 -102.403566 0.031324 BFGS: 225 10:42:12 -102.414947 0.024684 BFGS: 226 10:42:12 -102.415029 0.082886 BFGS: 227 10:42:13 -102.406464 0.129202 BFGS: 228 10:42:13 -102.406263 0.117851 BFGS: 229 10:42:13 -102.406166 0.074966 BFGS: 230 10:42:13 -102.414467 0.027447 BFGS: 231 10:42:13 -102.414536 0.017197 BFGS: 232 10:42:14 -102.397805 0.041158 BFGS: 233 10:42:14 -102.397727 0.015311 BFGS: 234 10:42:14 -102.411322 0.054820 BFGS: 235 10:42:14 -102.414524 0.021894 BFGS: 236 10:42:15 -102.397786 0.052417 BFGS: 237 10:42:15 -102.397718 0.016966 BFGS: 238 10:42:15 -102.411136 0.080733 BFGS: 239 10:42:15 -102.403142 0.028242 BFGS: 240 10:42:15 -102.397804 0.120294 BFGS: 241 10:42:15 -102.397726 0.035233 BFGS: 242 10:42:15 -102.411002 0.115845 BFGS: 243 10:42:15 -102.411539 0.025154 BFGS: 244 10:42:15 -102.397798 0.236937 BFGS: 245 10:42:15 -102.397732 0.059806 BFGS: 246 10:42:15 -102.410919 0.120744 BFGS: 247 10:42:15 -102.397666 0.025236 BFGS: 248 10:42:16 -102.411460 0.042188 BFGS: 249 10:42:16 -102.397663 0.029325 BFGS: 250 10:42:16 -102.406099 0.030453 BFGS: 251 10:42:16 -102.406117 0.025935 BFGS: 252 10:42:16 -102.406096 0.042923 BFGS: 253 10:42:16 -102.397683 0.014392 BFGS: 254 10:42:16 -102.403000 0.076989 BFGS: 255 10:42:16 -102.403153 0.027254 BFGS: 256 10:42:16 -102.406129 0.151275 BFGS: 257 10:42:16 -102.406100 0.046327 BFGS: 258 10:42:16 -102.402665 0.180189 BFGS: 259 10:42:17 -102.403136 0.031247 BFGS: 260 10:42:17 -102.406096 0.254168 BFGS: 261 10:42:17 -102.406094 0.071235 BFGS: 262 10:42:17 -102.402599 0.187827 BFGS: 263 10:42:17 -102.397658 0.033552 BFGS: 264 10:42:17 -102.403047 0.055641 BFGS: 265 10:42:17 -102.406093 0.035870 BFGS: 266 10:42:17 -102.406066 0.109975 BFGS: 267 10:42:17 -102.397667 0.033295 BFGS: 268 10:42:18 -102.402741 0.131017 BFGS: 269 10:42:18 -102.403148 0.026803 BFGS: 270 10:42:18 -102.406012 0.183543 BFGS: 271 10:42:18 -102.406050 0.056628 BFGS: 272 10:42:18 -102.402384 0.209272 BFGS: 273 10:42:18 -102.406070 0.043396 BFGS: 274 10:42:18 -102.405873 0.285214 BFGS: 275 10:42:18 -102.406009 0.079269 BFGS: 276 10:42:18 -102.402348 0.212334 BFGS: 277 10:42:18 -102.397642 0.039481 BFGS: 278 10:42:19 -102.402979 0.067769 BFGS: 279 10:42:19 -102.403103 0.037614 BFGS: 280 10:42:19 -102.405899 0.211653 BFGS: 281 10:42:19 -102.406005 0.064248 BFGS: 282 10:42:19 -102.402149 0.232295 BFGS: 283 10:42:19 -102.403098 0.043521 BFGS: 284 10:42:19 -102.405566 0.419588 BFGS: 285 10:42:19 -102.405927 0.107894 BFGS: 286 10:42:19 -102.402239 0.217515 BFGS: 287 10:42:20 -102.397628 0.036152 BFGS: 288 10:42:20 -102.402982 0.070391 BFGS: 289 10:42:20 -102.406086 0.043717 BFGS: 290 10:42:20 -102.405940 0.081564 BFGS: 291 10:42:20 -102.397598 0.021522 BFGS: 292 10:42:20 -102.402515 0.145052 BFGS: 293 10:42:20 -102.406070 0.042520 BFGS: 294 10:42:20 -102.405628 0.257885 BFGS: 295 10:42:20 -102.405903 0.074293 BFGS: 296 10:42:20 -102.402164 0.196338 BFGS: 297 10:42:20 -102.397637 0.042573 BFGS: 298 10:42:20 -102.402931 0.070778 BFGS: 299 10:42:21 -102.403084 0.040957 BFGS: 300 10:42:21 -102.405626 0.236358 BFGS: 301 10:42:21 -102.405894 0.070116 BFGS: 302 10:42:21 -102.402020 0.206142 BFGS: 303 10:42:21 -102.406073 0.047146 BFGS: 304 10:42:21 -102.405380 0.313959 BFGS: 305 10:42:21 -102.405828 0.081115 BFGS: 306 10:42:21 -102.402160 0.184373 BFGS: 307 10:42:21 -102.397621 0.039839 BFGS: 308 10:42:22 -102.402947 0.067882 BFGS: 309 10:42:22 -102.403109 0.038764 BFGS: 310 10:42:22 -102.405669 0.164219 BFGS: 311 10:42:22 -102.397492 0.048241 BFGS: 312 10:42:22 -102.402252 0.154849 BFGS: 313 10:42:22 -102.397637 0.039391 BFGS: 314 10:42:23 -102.402949 0.062151 BFGS: 315 10:42:23 -102.403098 0.037955 BFGS: 316 10:42:23 -102.405551 0.203441 BFGS: 317 10:42:23 -102.405853 0.059523 BFGS: 318 10:42:23 -102.401810 0.185259 BFGS: 319 10:42:23 -102.403096 0.044832 BFGS: 320 10:42:23 -102.404987 0.396601 BFGS: 321 10:42:23 -102.405704 0.098117 BFGS: 322 10:42:24 -102.402146 0.162031 BFGS: 323 10:42:24 -102.397598 0.033305 BFGS: 324 10:42:24 -102.402991 0.061601 BFGS: 325 10:42:24 -102.397639 0.042218 BFGS: 326 10:42:24 -102.406070 0.044881 BFGS: 327 10:42:24 -102.397650 0.040043 BFGS: 328 10:42:24 -102.406091 0.037082 BFGS: 329 10:42:25 -102.406098 0.034211 BFGS: 330 10:42:25 -102.394655 0.033304 BFGS: 331 10:42:25 -102.394680 0.013299 BFGS: 332 10:42:25 -102.405406 0.264794 BFGS: 333 10:42:25 -102.406017 0.063617 BFGS: 334 10:42:25 -102.402470 0.301033 BFGS: 335 10:42:25 -102.402932 0.090366 BFGS: 336 10:42:26 -102.405477 0.234444 BFGS: 337 10:42:26 -102.406101 0.040047 BFGS: 338 10:42:26 -102.402451 0.273488 BFGS: 339 10:42:26 -102.402910 0.086231 BFGS: 340 10:42:26 -102.405531 0.210802 BFGS: 341 10:42:26 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-102.402709 0.041690 BFGS: 8073 11:37:34 -102.406108 0.032003 BFGS: 8074 11:37:35 -102.401449 0.097880 BFGS: 8075 11:37:35 -102.405419 0.047611 BFGS: 8076 11:37:35 -102.402489 0.044771 BFGS: 8077 11:37:36 -102.397602 0.014795 BFGS: 8078 11:37:36 -102.406041 0.034750 BFGS: 8079 11:37:36 -102.397688 0.016568 BFGS: 8080 11:37:36 -102.406115 0.031521 BFGS: 8081 11:37:37 -102.406136 0.029247 BFGS: 8082 11:37:37 -102.405750 0.042846 BFGS: 8083 11:37:38 -102.397524 0.013898 BFGS: 8084 11:37:38 -102.405673 0.042036 BFGS: 8085 11:37:38 -102.406107 0.032029 BFGS: 8086 11:37:39 -102.401442 0.098797 BFGS: 8087 11:37:39 -102.405416 0.047611 BFGS: 8088 11:37:40 -102.402483 0.044926 BFGS: 8089 11:37:40 -102.397602 0.014791 BFGS: 8090 11:37:40 -102.406040 0.034772 BFGS: 8091 11:37:41 -102.397689 0.016618 BFGS: 8092 11:37:41 -102.406115 0.031534 BFGS: 8093 11:37:42 -102.406135 0.029280 BFGS: 8094 11:37:42 -102.405744 0.042953 BFGS: 8095 11:37:42 -102.397521 0.013875 BFGS: 8096 11:37:43 -102.402712 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-102.402491 0.044658 BFGS: 8511 11:40:03 -102.397602 0.015020 BFGS: 8512 11:40:04 -102.406040 0.034702 BFGS: 8513 11:40:04 -102.397688 0.016459 BFGS: 8514 11:40:04 -102.406115 0.031489 BFGS: 8515 11:40:05 -102.406135 0.029213 BFGS: 8516 11:40:05 -102.405754 0.042720 BFGS: 8517 11:40:06 -102.397525 0.014058 BFGS: 8518 11:40:06 -102.402722 0.041422 BFGS: 8519 11:40:06 -102.406107 0.031975 BFGS: 8520 11:40:06 -102.401465 0.086822 BFGS: 8521 11:40:06 -102.405422 0.047477 BFGS: 8522 11:40:07 -102.402491 0.044672 BFGS: 8523 11:40:07 -102.397602 0.014926 BFGS: 8524 11:40:07 -102.406041 0.034708 BFGS: 8525 11:40:07 -102.397688 0.016370 BFGS: 8526 11:40:08 -102.406115 0.031493 BFGS: 8527 11:40:08 -102.406135 0.029220 BFGS: 8528 11:40:08 -102.405752 0.042750 BFGS: 8529 11:40:08 -102.397525 0.014001 BFGS: 8530 11:40:09 -102.402721 0.041438 BFGS: 8531 11:40:09 -102.406108 0.031973 BFGS: 8532 11:40:09 -102.401461 0.087700 BFGS: 8533 11:40:10 -102.405421 0.047495 BFGS: 8534 11:40:10 -102.402492 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8632 11:40:45 -102.406041 0.034740 BFGS: 8633 11:40:46 -102.397689 0.016272 BFGS: 8634 11:40:46 -102.406115 0.031515 BFGS: 8635 11:40:47 -102.406136 0.029254 BFGS: 8636 11:40:47 -102.405747 0.042880 BFGS: 8637 11:40:47 -102.397523 0.013883 BFGS: 8638 11:40:48 -102.402719 0.041520 BFGS: 8639 11:40:48 -102.406108 0.031972 BFGS: 8640 11:40:48 -102.401447 0.092583 BFGS: 8641 11:40:49 -102.402461 0.048047 BFGS: 8642 11:40:49 -102.405461 0.044892 BFGS: 8643 11:40:49 -102.397600 0.014627 BFGS: 8644 11:40:50 -102.406045 0.034643 BFGS: 8645 11:40:50 -102.397686 0.015966 BFGS: 8646 11:40:51 -102.406118 0.031384 BFGS: 8647 11:40:51 -102.406138 0.028913 BFGS: 8648 11:40:52 -102.405789 0.042017 BFGS: 8649 11:40:52 -102.397542 0.014082 BFGS: 8650 11:40:52 -102.405712 0.041460 BFGS: 8651 11:40:53 -102.406107 0.032067 BFGS: 8652 11:40:53 -102.401452 0.092320 BFGS: 8653 11:40:54 -102.405419 0.047548 BFGS: 8654 11:40:54 -102.402486 0.044875 BFGS: 8655 11:40:54 -102.397603 0.014761 BFGS: 8656 11:40:55 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-102.397688 0.016433 BFGS: 8730 11:41:21 -102.406115 0.031501 BFGS: 8731 11:41:22 -102.406135 0.029231 BFGS: 8732 11:41:22 -102.405751 0.042789 BFGS: 8733 11:41:22 -102.397524 0.013980 BFGS: 8734 11:41:23 -102.402721 0.041450 BFGS: 8735 11:41:23 -102.406108 0.031966 BFGS: 8736 11:41:23 -102.401459 0.089686 BFGS: 8737 11:41:24 -102.405421 0.047520 BFGS: 8738 11:41:24 -102.402491 0.044701 BFGS: 8739 11:41:24 -102.397602 0.014844 BFGS: 8740 11:41:25 -102.406041 0.034721 BFGS: 8741 11:41:25 -102.397688 0.016359 BFGS: 8742 11:41:26 -102.406115 0.031502 BFGS: 8743 11:41:26 -102.406135 0.029232 BFGS: 8744 11:41:26 -102.405751 0.042799 BFGS: 8745 11:41:27 -102.397524 0.013944 BFGS: 8746 11:41:27 -102.402722 0.041451 BFGS: 8747 11:41:27 -102.406108 0.031968 BFGS: 8748 11:41:28 -102.401457 0.090049 BFGS: 8749 11:41:28 -102.405420 0.047554 BFGS: 8750 11:41:28 -102.402492 0.044685 BFGS: 8751 11:41:29 -102.397602 0.014776 BFGS: 8752 11:41:29 -102.406041 0.034720 BFGS: 8753 11:41:29 -102.397688 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8778 11:41:37 -102.406115 0.031559 BFGS: 8779 11:41:38 -102.406135 0.029338 BFGS: 8780 11:41:38 -102.405740 0.043035 BFGS: 8781 11:41:39 -102.397519 0.013948 BFGS: 8782 11:41:39 -102.402712 0.041640 BFGS: 8783 11:41:40 -102.406109 0.031959 BFGS: 8784 11:41:40 -102.401449 0.091446 BFGS: 8785 11:41:41 -102.405418 0.047586 BFGS: 8786 11:41:41 -102.402490 0.044751 BFGS: 8787 11:41:41 -102.397602 0.014783 BFGS: 8788 11:41:42 -102.406041 0.034736 BFGS: 8789 11:41:42 -102.397688 0.016333 BFGS: 8790 11:41:43 -102.406116 0.031507 BFGS: 8791 11:41:43 -102.406136 0.029223 BFGS: 8792 11:41:43 -102.405752 0.042789 BFGS: 8793 11:41:44 -102.397525 0.013930 BFGS: 8794 11:41:44 -102.402724 0.041443 BFGS: 8795 11:41:45 -102.406108 0.031978 BFGS: 8796 11:41:45 -102.401453 0.091291 BFGS: 8797 11:41:46 -102.402463 0.048031 BFGS: 8798 11:41:46 -102.405462 0.044872 BFGS: 8799 11:41:47 -102.397600 0.014676 BFGS: 8800 11:41:47 -102.406045 0.034638 BFGS: 8801 11:41:48 -102.397686 0.016017 BFGS: 8802 11:41:48 -102.406118 0.031381 BFGS: 8803 11:41:49 -102.406138 0.028908 BFGS: 8804 11:41:49 -102.405790 0.041996 BFGS: 8805 11:41:49 -102.397542 0.014107 BFGS: 8806 11:41:50 -102.405714 0.041437 BFGS: 8807 11:41:50 -102.406107 0.032062 BFGS: 8808 11:41:51 -102.401456 0.091313 BFGS: 8809 11:41:51 -102.405420 0.047545 BFGS: 8810 11:41:51 -102.405443 0.045353 BFGS: 8811 11:41:52 -102.397603 0.014789 BFGS: 8812 11:41:52 -102.406040 0.034808 BFGS: 8813 11:41:53 -102.397690 0.016422 BFGS: 8814 11:41:53 -102.406115 0.031572 BFGS: 8815 11:41:53 -102.406135 0.029363 BFGS: 8816 11:41:54 -102.405736 0.043100 BFGS: 8817 11:41:54 -102.405920 0.034234 BFGS: 8818 11:41:54 -102.401965 0.050451 BFGS: 8819 11:41:55 -102.405988 0.036160 BFGS: 8820 11:41:55 -102.401694 0.077610 BFGS: 8821 11:41:55 -102.405537 0.046086 BFGS: 8822 11:41:56 -102.402374 0.046429 BFGS: 8823 11:41:56 -102.397675 0.015995 BFGS: 8824 11:41:56 -102.405988 0.036164 BFGS: 8825 11:41:57 -102.406108 0.031980 BFGS: 8826 11:41:57 -102.404899 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-102.406133 0.029565 BFGS: 9898 11:47:42 -102.405714 0.043372 BFGS: 9899 11:47:42 -102.397508 0.014146 BFGS: 9900 11:47:42 -102.402693 0.041830 BFGS: 9901 11:47:43 -102.406110 0.031841 BFGS: 9902 11:47:43 -102.401466 0.083891 BFGS: 9903 11:47:43 -102.405424 0.047456 BFGS: 9904 11:47:44 -102.402492 0.044653 BFGS: 9905 11:47:44 -102.397601 0.015038 BFGS: 9906 11:47:44 -102.406041 0.034692 BFGS: 9907 11:47:45 -102.397687 0.016416 BFGS: 9908 11:47:45 -102.406115 0.031464 BFGS: 9909 11:47:45 -102.406136 0.029131 BFGS: 9910 11:47:46 -102.405766 0.042394 BFGS: 9911 11:47:46 -102.397530 0.014158 BFGS: 9912 11:47:46 -102.402738 0.041167 BFGS: 9913 11:47:47 -102.406108 0.031926 BFGS: 9914 11:47:47 -102.401465 0.084695 BFGS: 9915 11:47:47 -102.405423 0.047457 BFGS: 9916 11:47:48 -102.402492 0.044660 BFGS: 9917 11:47:48 -102.397602 0.014959 BFGS: 9918 11:47:48 -102.406041 0.034706 BFGS: 9919 11:47:49 -102.397688 0.016348 BFGS: 9920 11:47:49 -102.406115 0.031489 BFGS: 9921 11:47:49 -102.406135 0.029200 BFGS: 9922 11:47:50 -102.405757 0.042574 BFGS: 9923 11:47:50 -102.397526 0.014073 BFGS: 9924 11:47:51 -102.402732 0.041278 BFGS: 9925 11:47:51 -102.406109 0.031911 BFGS: 9926 11:47:51 -102.401461 0.085592 BFGS: 9927 11:47:52 -102.405422 0.047479 BFGS: 9928 11:47:52 -102.402492 0.044671 BFGS: 9929 11:47:52 -102.397602 0.014879 BFGS: 9930 11:47:52 -102.406041 0.034708 BFGS: 9931 11:47:53 -102.397688 0.016272 BFGS: 9932 11:47:53 -102.406115 0.031488 BFGS: 9933 11:47:53 -102.406135 0.029196 BFGS: 9934 11:47:54 -102.405757 0.042580 BFGS: 9935 11:47:54 -102.397526 0.014021 BFGS: 9936 11:47:54 -102.402733 0.041277 BFGS: 9937 11:47:55 -102.406109 0.031911 BFGS: 9938 11:47:55 -102.401458 0.086313 BFGS: 9939 11:47:55 -102.405421 0.047501 BFGS: 9940 11:47:56 -102.402493 0.044674 BFGS: 9941 11:47:56 -102.397602 0.014810 BFGS: 9942 11:47:57 -102.406041 0.034712 BFGS: 9943 11:47:57 -102.397688 0.016201 BFGS: 9944 11:47:57 -102.406115 0.031490 BFGS: 9945 11:47:58 -102.406136 0.029198 BFGS: 9946 11:47:58 -102.405756 0.042593 BFGS: 9947 11:47:58 -102.397526 0.013983 BFGS: 9948 11:47:59 -102.402733 0.041281 BFGS: 9949 11:47:59 -102.406109 0.031912 BFGS: 9950 11:47:59 -102.401456 0.086796 BFGS: 9951 11:48:00 -102.402464 0.047992 BFGS: 9952 11:48:00 -102.405463 0.044834 BFGS: 9953 11:48:00 -102.397599 0.014667 BFGS: 9954 11:48:01 -102.406045 0.034621 BFGS: 9955 11:48:01 -102.397685 0.015862 BFGS: 9956 11:48:01 -102.406118 0.031364 BFGS: 9957 11:48:02 -102.406137 0.028867 BFGS: 9958 11:48:02 -102.405795 0.041733 BFGS: 9959 11:48:03 -102.397544 0.014141 BFGS: 9960 11:48:03 -102.405723 0.041264 BFGS: 9961 11:48:03 -102.406108 0.032003 BFGS: 9962 11:48:04 -102.401477 0.086153 BFGS: 9963 11:48:04 -102.405427 0.047431 BFGS: 9964 11:48:04 -102.402482 0.044893 BFGS: 9965 11:48:04 -102.397606 0.014816 BFGS: 9966 11:48:05 -102.406038 0.034847 BFGS: 9967 11:48:05 -102.397692 0.016239 BFGS: 9968 11:48:06 -102.406113 0.031690 BFGS: 9969 11:48:06 -102.406134 0.029635 BFGS: 9970 11:48:06 -102.405704 0.043580 BFGS: 9971 11:48:06 -102.405905 0.035680 BFGS: 9972 11:48:07 -102.401992 0.050190 BFGS: 9973 11:48:07 -102.405997 0.035972 BFGS: 9974 11:48:08 -102.401687 0.073718 BFGS: 9975 11:48:08 -102.405532 0.046112 BFGS: 9976 11:48:08 -102.402386 0.046219 BFGS: 9977 11:48:08 -102.397670 0.015806 BFGS: 9978 11:48:08 -102.405992 0.036076 BFGS: 9979 11:48:09 -102.406111 0.031807 BFGS: 9980 11:48:09 -102.401983 0.056958 BFGS: 9981 11:48:10 -102.405595 0.045267 BFGS: 9982 11:48:10 -102.402316 0.047006 BFGS: 9983 11:48:10 -102.406135 0.029381 BFGS: 9984 11:48:11 -102.404540 0.070223 BFGS: 9985 11:48:11 -102.405474 0.046824 BFGS: 9986 11:48:11 -102.402443 0.045285 BFGS: 9987 11:48:11 -102.397633 0.015439 BFGS: 9988 11:48:12 -102.406019 0.035342 BFGS: 9989 11:48:12 -102.406132 0.029967 BFGS: 9990 11:48:13 -102.405293 0.049075 BFGS: 9991 11:48:13 -102.405729 0.043111 BFGS: 9992 11:48:13 -102.402191 0.048157 BFGS: 9993 11:48:14 -102.406084 0.033209 BFGS: 9994 11:48:14 -102.401525 0.081610 BFGS: 9995 11:48:15 -102.405447 0.047196 BFGS: 9996 11:48:15 -102.402468 0.045020 BFGS: 9997 11:48:15 -102.397616 0.015328 BFGS: 9998 11:48:16 -102.406031 0.034995 BFGS: 9999 11:48:16 -102.406140 0.028029 BFGS: 10000 11:48:17 -102.405558 0.045781 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.052502500695608384 eV/Angstrom Maximum stress component: 0.0006959185184433526 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[6.84820857e-01 3.55520778e-01 3.16422794e-01] [8.15179143e-01 6.44479222e-01 8.16422794e-01] [8.15179143e-01 3.55520778e-01 1.83577206e-01] [6.84820857e-01 6.44479222e-01 6.83577206e-01] [3.15179143e-01 6.44479222e-01 6.83577206e-01] [1.84820857e-01 3.55520778e-01 1.83577206e-01] [1.84820857e-01 6.44479222e-01 8.16422794e-01] [3.15179143e-01 3.55520778e-01 3.16422794e-01] [6.84108216e-01 6.77163722e-01 1.84166888e-01] [8.15891784e-01 3.22836278e-01 6.84166888e-01] [8.15891784e-01 6.77163722e-01 3.15833112e-01] [6.84108216e-01 3.22836278e-01 8.15833112e-01] [3.15891784e-01 3.22836278e-01 8.15833112e-01] [1.84108216e-01 6.77163722e-01 3.15833112e-01] [1.84108216e-01 3.22836278e-01 6.84166888e-01] [3.15891784e-01 6.77163722e-01 1.84166888e-01] [1.97143109e-65 1.00000000e+00 1.02298774e-16] [5.00000000e-01 1.00000000e+00 5.00000000e-01] [5.00000000e-01 1.00000000e+00 1.02298774e-16] [1.97143109e-65 1.00000000e+00 5.00000000e-01] [8.46894241e-01 1.00000000e+00 1.02298774e-16] [6.53105759e-01 1.00000000e+00 5.00000000e-01] [1.53105759e-01 1.00000000e+00 1.02298774e-16] [3.46894241e-01 1.00000000e+00 5.00000000e-01] [2.50000000e-01 5.16470543e-01 2.50000000e-01] [2.50000000e-01 4.83529457e-01 7.50000000e-01] [7.50000000e-01 4.83529457e-01 7.50000000e-01] [7.50000000e-01 5.16470543e-01 2.50000000e-01] [1.56846338e-33 9.63536397e-01 6.53767664e-01] [5.00000000e-01 3.64636032e-02 1.53767664e-01] [5.00000000e-01 9.63536397e-01 8.46232336e-01] [0.00000000e+00 3.64636032e-02 3.46232336e-01]] cellpar = Cell([[8.188196495001506, 2.321172761612491e-34, 0.0], [1.8828317605915324e-34, 3.3314049834933535, 0.0], [0.0, 0.0, 8.114650199644093]]) forces = [[ 1.94918412e-04 -4.29877084e-04 -2.13026892e-04] [-1.94918412e-04 4.29877084e-04 -2.13026892e-04] [-1.94918412e-04 -4.29877084e-04 2.13026892e-04] [ 1.94918412e-04 4.29877084e-04 2.13026892e-04] [-1.94918412e-04 4.29877084e-04 2.13026892e-04] [ 1.94918412e-04 -4.29877084e-04 2.13026892e-04] [ 1.94918412e-04 4.29877084e-04 -2.13026892e-04] [-1.94918412e-04 -4.29877084e-04 -2.13026892e-04] [-1.44123539e-03 7.15431319e-04 -6.58067121e-04] [ 1.44123539e-03 -7.15431319e-04 -6.58067121e-04] [ 1.44123539e-03 7.15431319e-04 6.58067121e-04] [-1.44123539e-03 -7.15431319e-04 6.58067121e-04] [ 1.44123539e-03 -7.15431319e-04 6.58067121e-04] [-1.44123539e-03 7.15431319e-04 6.58067121e-04] [-1.44123539e-03 -7.15431319e-04 -6.58067121e-04] [ 1.44123539e-03 7.15431319e-04 -6.58067121e-04] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 6.75284707e-04 1.91428292e-38 0.00000000e+00] [-6.75284707e-04 -1.91428292e-38 0.00000000e+00] [-6.75284707e-04 -1.91428292e-38 0.00000000e+00] [ 6.75284707e-04 1.91428292e-38 0.00000000e+00] [-5.29149796e-26 -5.25025007e-02 0.00000000e+00] [ 5.29149796e-26 5.25025007e-02 0.00000000e+00] [ 5.29149796e-26 5.25025007e-02 0.00000000e+00] [-5.29149796e-26 -5.25025007e-02 0.00000000e+00] [-9.57080490e-37 -1.69341881e-02 -1.40273817e-02] [ 9.57080490e-37 1.69341881e-02 -1.40273817e-02] [-9.57080490e-37 -1.69341881e-02 1.40273817e-02] [ 9.57080490e-37 1.69341881e-02 1.40273817e-02]] stress = [ 4.71614133e-04 -2.48462350e-04 -6.95918518e-04 0.00000000e+00 0.00000000e+00 -2.89789869e-38] energy per atom = -3.1561245500192183 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'N', 'N', 'N', 'N', 'N'] representative atom coordinates = [[0.70809198 0.22747052 0.3296366 ] [0.66950361 0.95135091 0.20782446] [0. 0. 0. ] [0.5 0. 0. ] [0.87776534 0. 0. ] [0.25 0.09302556 0.25 ] [0. 0.11100877 0.61177555]] spacegroup = 53 cell = [[9.7071, 0, 0], [0, 3.9572, 0], [0, 0, 9.8701]] ========================================= Step Time Energy fmax BFGS: 0 11:48:22 -86.705940 18.340419 BFGS: 1 11:48:23 -94.152828 15.822101 BFGS: 2 11:48:23 -85.640243 37.898349 BFGS: 3 11:48:24 -98.538895 18.354869 BFGS: 4 11:48:24 -93.590725 57.488269 BFGS: 5 11:48:24 -97.868133 16.084644 BFGS: 6 11:48:24 -99.739175 9.605918 BFGS: 7 11:48:25 -99.834510 3.638528 BFGS: 8 11:48:25 -99.837206 9.400056 BFGS: 9 11:48:25 -99.748710 5.867772 BFGS: 10 11:48:25 -99.820520 4.452930 BFGS: 11 11:48:26 -99.897244 1.469485 BFGS: 12 11:48:26 -99.901355 2.649453 BFGS: 13 11:48:26 -99.906220 0.310532 BFGS: 14 11:48:26 -99.906651 0.381443 BFGS: 15 11:48:26 -99.907867 0.138418 BFGS: 16 11:48:27 -99.912445 1.352412 BFGS: 17 11:48:27 -99.916947 3.301909 BFGS: 18 11:48:27 -99.924195 2.871315 BFGS: 19 11:48:27 -99.943861 1.677282 BFGS: 20 11:48:28 -99.955403 2.204809 BFGS: 21 11:48:28 -99.962177 2.720494 BFGS: 22 11:48:28 -99.974816 3.183757 BFGS: 23 11:48:28 -99.979094 1.516625 BFGS: 24 11:48:29 -99.984736 0.384090 BFGS: 25 11:48:29 -99.982209 3.983436 BFGS: 26 11:48:29 -99.987407 0.729716 BFGS: 27 11:48:29 -99.988838 0.679239 BFGS: 28 11:48:30 -99.993539 2.214307 BFGS: 29 11:48:30 -99.997351 0.611016 BFGS: 30 11:48:30 -100.001801 0.824958 BFGS: 31 11:48:30 -100.005059 0.528850 BFGS: 32 11:48:30 -100.007737 0.859862 BFGS: 33 11:48:30 -100.008737 0.529232 BFGS: 34 11:48:30 -100.010044 0.102167 BFGS: 35 11:48:30 -100.011593 0.094170 BFGS: 36 11:48:31 -100.013583 0.514613 BFGS: 37 11:48:31 -100.014813 0.177524 BFGS: 38 11:48:31 -100.016691 0.278408 BFGS: 39 11:48:31 -100.020077 0.376537 BFGS: 40 11:48:31 -100.018278 2.424065 BFGS: 41 11:48:32 -100.022544 1.899958 BFGS: 42 11:48:32 -100.020297 0.174829 BFGS: 43 11:48:32 -100.025557 0.744016 BFGS: 44 11:48:32 -100.031523 1.835360 BFGS: 45 11:48:33 -100.044684 2.180916 BFGS: 46 11:48:33 -100.050426 2.274267 BFGS: 47 11:48:33 -100.056218 2.357192 BFGS: 48 11:48:34 -100.062073 2.427245 BFGS: 49 11:48:34 -100.067987 2.487271 BFGS: 50 11:48:34 -100.073955 2.539584 BFGS: 51 11:48:34 -100.079977 2.586020 BFGS: 52 11:48:35 -100.086052 2.628039 BFGS: 53 11:48:35 -100.092180 2.666807 BFGS: 54 11:48:35 -100.098362 2.703184 BFGS: 55 11:48:35 -100.104593 2.737241 BFGS: 56 11:48:36 -100.110882 2.770446 BFGS: 57 11:48:36 -100.117231 2.803179 BFGS: 58 11:48:36 -100.123644 2.835724 BFGS: 59 11:48:36 -100.130121 2.868278 BFGS: 60 11:48:36 -100.136667 2.900970 BFGS: 61 11:48:36 -100.143282 2.933866 BFGS: 62 11:48:36 -100.149969 2.966993 BFGS: 63 11:48:36 -100.156729 3.000337 BFGS: 64 11:48:36 -100.163566 3.033861 BFGS: 65 11:48:36 -100.170479 3.067505 BFGS: 66 11:48:36 -100.177471 3.101066 BFGS: 67 11:48:36 -100.184559 3.135557 BFGS: 68 11:48:36 -100.191730 3.169701 BFGS: 69 11:48:37 -100.198984 3.203443 BFGS: 70 11:48:37 -100.206323 3.236712 BFGS: 71 11:48:37 -100.213748 3.269423 BFGS: 72 11:48:37 -100.221260 3.301482 BFGS: 73 11:48:37 -100.228860 3.332783 BFGS: 74 11:48:37 -100.236549 3.363214 BFGS: 75 11:48:37 -100.244327 3.392656 BFGS: 76 11:48:37 -100.252195 3.420985 BFGS: 77 11:48:37 -100.260152 3.448076 BFGS: 78 11:48:37 -100.268198 3.473795 BFGS: 79 11:48:38 -100.276332 3.498013 BFGS: 80 11:48:38 -100.284554 3.520598 BFGS: 81 11:48:38 -100.292889 3.541418 BFGS: 82 11:48:38 -100.301190 3.561358 BFGS: 83 11:48:38 -100.309577 3.579162 BFGS: 84 11:48:39 -100.318044 3.595177 BFGS: 85 11:48:39 -100.326590 3.609271 BFGS: 86 11:48:39 -100.335210 3.621309 BFGS: 87 11:48:39 -100.343901 3.631174 BFGS: 88 11:48:39 -100.352660 3.638765 BFGS: 89 11:48:40 -100.361482 3.643996 BFGS: 90 11:48:40 -100.370363 3.646799 BFGS: 91 11:48:40 -100.379298 3.647125 BFGS: 92 11:48:41 -100.388281 3.644943 BFGS: 93 11:48:41 -100.397307 3.640240 BFGS: 94 11:48:41 -100.406370 3.633028 BFGS: 95 11:48:41 -100.415464 3.623337 BFGS: 96 11:48:42 -100.424584 3.611221 BFGS: 97 11:48:42 -100.433722 3.596748 BFGS: 98 11:48:42 -100.442868 3.580090 BFGS: 99 11:48:42 -100.452037 3.560410 BFGS: 100 11:48:42 -100.461206 3.538660 BFGS: 101 11:48:43 -100.470368 3.514977 BFGS: 102 11:48:43 -100.479504 3.489609 BFGS: 103 11:48:43 -100.488601 3.462862 BFGS: 104 11:48:43 -100.497492 3.434913 BFGS: 105 11:48:43 -100.506520 3.405432 BFGS: 106 11:48:44 -100.515512 3.375146 BFGS: 107 11:48:44 -100.524471 3.344108 BFGS: 108 11:48:44 -100.533399 3.312366 BFGS: 109 11:48:44 -100.542323 3.279997 BFGS: 110 11:48:45 -100.551172 3.249745 BFGS: 111 11:48:45 -100.560006 3.218244 BFGS: 112 11:48:45 -100.568826 3.185740 BFGS: 113 11:48:46 -100.577633 3.152298 BFGS: 114 11:48:46 -100.586428 3.117960 BFGS: 115 11:48:46 -100.595210 3.082760 BFGS: 116 11:48:46 -100.603982 3.046720 BFGS: 117 11:48:47 -100.612745 3.009855 BFGS: 118 11:48:47 -100.621499 2.972195 BFGS: 119 11:48:47 -100.630245 2.933745 BFGS: 120 11:48:47 -100.638986 2.894531 BFGS: 121 11:48:48 -100.647722 2.854603 BFGS: 122 11:48:48 -100.656454 2.814038 BFGS: 123 11:48:48 -100.665181 2.772952 BFGS: 124 11:48:48 -100.673905 2.731531 BFGS: 125 11:48:49 -100.685395 2.700628 BFGS: 126 11:48:49 -100.693891 2.669866 BFGS: 127 11:48:49 -100.702491 2.634443 BFGS: 128 11:48:49 -100.711114 2.598950 BFGS: 129 11:48:50 -100.717402 2.555387 BFGS: 130 11:48:50 -100.725436 2.580010 BFGS: 131 11:48:50 -100.735890 2.606813 BFGS: 132 11:48:50 -100.742254 2.570395 BFGS: 133 11:48:50 -100.750821 2.564965 BFGS: 134 11:48:50 -100.759478 2.590201 BFGS: 135 11:48:50 -100.768299 2.608960 BFGS: 136 11:48:51 -100.777267 2.622312 BFGS: 137 11:48:51 -100.786370 2.631025 BFGS: 138 11:48:51 -100.795596 2.635675 BFGS: 139 11:48:51 -100.807114 2.636694 BFGS: 140 11:48:51 -100.814403 2.631936 BFGS: 141 11:48:51 -100.823880 2.629146 BFGS: 142 11:48:51 -100.833465 2.622858 BFGS: 143 11:48:51 -100.846434 2.544736 BFGS: 144 11:48:51 -100.859536 2.255836 BFGS: 145 11:48:51 -100.871509 2.012821 BFGS: 146 11:48:52 -100.884408 1.820349 BFGS: 147 11:48:52 -100.894297 1.662000 BFGS: 148 11:48:52 -100.903670 1.532835 BFGS: 149 11:48:52 -100.912797 1.422218 BFGS: 150 11:48:52 -100.921828 1.324125 BFGS: 151 11:48:53 -100.930862 1.234325 BFGS: 152 11:48:53 -100.939972 1.149800 BFGS: 153 11:48:53 -100.949210 1.068425 BFGS: 154 11:48:54 -100.958334 0.987583 BFGS: 155 11:48:54 -100.967981 0.906364 BFGS: 156 11:48:55 -100.977842 0.754515 BFGS: 157 11:48:55 -100.987705 0.628493 BFGS: 158 11:48:55 -101.002769 0.506522 BFGS: 159 11:48:55 -101.020689 1.445341 BFGS: 160 11:48:56 -101.052652 4.225077 BFGS: 161 11:48:56 -101.082867 5.774328 BFGS: 162 11:48:56 -101.115238 6.657889 BFGS: 163 11:48:56 -101.150018 7.156912 BFGS: 164 11:48:56 -101.187473 7.405596 BFGS: 165 11:48:56 -101.223907 7.484871 BFGS: 166 11:48:57 -101.266719 7.376404 BFGS: 167 11:48:57 -101.318110 7.169424 BFGS: 168 11:48:57 -101.405582 6.170765 BFGS: 169 11:48:58 -101.475463 5.334334 BFGS: 170 11:48:58 -101.525081 4.689569 BFGS: 171 11:48:58 -101.564015 4.135980 BFGS: 172 11:48:59 -101.596788 3.635280 BFGS: 173 11:48:59 -101.625307 3.162477 BFGS: 174 11:49:00 -101.637137 3.081562 BFGS: 175 11:49:00 -101.662999 2.685755 BFGS: 176 11:49:00 -101.682600 2.337780 BFGS: 177 11:49:00 -101.698579 2.040326 BFGS: 178 11:49:01 -101.712197 1.785414 BFGS: 179 11:49:01 -101.724146 1.564479 BFGS: 180 11:49:01 -101.734842 1.370722 BFGS: 181 11:49:02 -101.744556 1.199295 BFGS: 182 11:49:02 -101.753477 1.046980 BFGS: 183 11:49:03 -101.761746 1.066715 BFGS: 184 11:49:03 -101.769473 1.227789 BFGS: 185 11:49:03 -101.776751 1.342931 BFGS: 186 11:49:03 -101.783654 1.405999 BFGS: 187 11:49:04 -101.790228 1.464493 BFGS: 188 11:49:04 -101.796524 1.517992 BFGS: 189 11:49:04 -101.796673 1.617222 BFGS: 190 11:49:05 -101.804626 1.531832 BFGS: 191 11:49:05 -101.812492 1.384180 BFGS: 192 11:49:05 -101.820341 1.148914 BFGS: 193 11:49:05 -101.828132 0.918823 BFGS: 194 11:49:06 -101.835893 0.699646 BFGS: 195 11:49:06 -101.843649 0.492274 BFGS: 196 11:49:06 -101.851406 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0.035264 BFGS: 1946 11:57:07 -102.404612 0.059908 BFGS: 1947 11:57:08 -102.405533 0.041880 BFGS: 1948 11:57:08 -102.402282 0.045314 BFGS: 1949 11:57:08 -102.397672 0.016042 BFGS: 1950 11:57:09 -102.405972 0.035253 BFGS: 1951 11:57:09 -102.406103 0.031117 BFGS: 1952 11:57:09 -102.404870 0.050465 BFGS: 1953 11:57:10 -102.405569 0.040878 BFGS: 1954 11:57:10 -102.402250 0.045594 BFGS: 1955 11:57:10 -102.406141 0.024856 BFGS: 1956 11:57:11 -102.405107 0.047920 BFGS: 1957 11:57:11 -102.397296 0.014704 BFGS: 1958 11:57:11 -102.402118 0.047048 BFGS: 1959 11:57:12 -102.406107 0.031006 BFGS: 1960 11:57:12 -102.404314 0.065842 BFGS: 1961 11:57:12 -102.405388 0.044257 BFGS: 1962 11:57:12 -102.402434 0.043553 BFGS: 1963 11:57:13 -102.397583 0.015924 BFGS: 1964 11:57:13 -102.406038 0.033621 BFGS: 1965 11:57:13 -102.397678 0.016690 BFGS: 1966 11:57:14 -102.406117 0.030267 BFGS: 1967 11:57:14 -102.406138 0.027333 BFGS: 1968 11:57:14 -102.397440 0.013850 BFGS: 1969 11:57:14 -102.397556 0.014145 BFGS: 1970 11:57:15 -102.401766 0.050171 BFGS: 1971 11:57:15 -102.403007 0.034914 BFGS: 1972 11:57:15 -102.404579 0.063513 BFGS: 1973 11:57:16 -102.405516 0.042311 BFGS: 1974 11:57:16 -102.402295 0.045169 BFGS: 1975 11:57:16 -102.397662 0.016040 BFGS: 1976 11:57:17 -102.405978 0.035086 BFGS: 1977 11:57:17 -102.406108 0.030803 BFGS: 1978 11:57:17 -102.404938 0.049801 BFGS: 1979 11:57:18 -102.405593 0.040163 BFGS: 1980 11:57:18 -102.402223 0.045881 BFGS: 1981 11:57:18 -102.406134 0.028495 BFGS: 1982 11:57:19 -102.404532 0.057936 BFGS: 1983 11:57:19 -102.405471 0.043002 BFGS: 1984 11:57:19 -102.402350 0.044476 BFGS: 1985 11:57:20 -102.397635 0.016406 BFGS: 1986 11:57:20 -102.406001 0.034548 BFGS: 1987 11:57:20 -102.406125 0.029580 BFGS: 1988 11:57:20 -102.405187 0.047087 BFGS: 1989 11:57:21 -102.397282 0.014727 BFGS: 1990 11:57:21 -102.402143 0.046817 BFGS: 1991 11:57:21 -102.406114 0.030544 BFGS: 1992 11:57:21 -102.404293 0.066249 BFGS: 1993 11:57:21 -102.405383 0.044360 BFGS: 1994 11:57:22 -102.402436 0.043529 BFGS: 1995 11:57:22 -102.397581 0.016022 BFGS: 1996 11:57:22 -102.406039 0.033567 BFGS: 1997 11:57:23 -102.397677 0.016771 BFGS: 1998 11:57:23 -102.406118 0.030176 BFGS: 1999 11:57:23 -102.406139 0.026956 BFGS: 2000 11:57:23 -102.397468 0.013806 BFGS: 2001 11:57:24 -102.397570 0.014280 BFGS: 2002 11:57:24 -102.401742 0.050353 BFGS: 2003 11:57:24 -102.402998 0.035110 BFGS: 2004 11:57:24 -102.404592 0.063005 BFGS: 2005 11:57:25 -102.405524 0.042173 BFGS: 2006 11:57:25 -102.402283 0.045283 BFGS: 2007 11:57:25 -102.397668 0.016115 BFGS: 2008 11:57:26 -102.403018 0.034692 BFGS: 2009 11:57:26 -102.406106 0.030977 BFGS: 2010 11:57:26 -102.401920 0.050511 BFGS: 2011 11:57:26 -102.405575 0.040787 BFGS: 2012 11:57:27 -102.402257 0.045644 BFGS: 2013 11:57:27 -102.406140 0.026819 BFGS: 2014 11:57:27 -102.404821 0.050825 BFGS: 2015 11:57:27 -102.405583 0.040375 BFGS: 2016 11:57:28 -102.402258 0.045515 BFGS: 2017 11:57:28 -102.406140 0.027330 BFGS: 2018 11:57:28 -102.404740 0.051556 BFGS: 2019 11:57:28 -102.405551 0.041282 BFGS: 2020 11:57:29 -102.402294 0.045100 BFGS: 2021 11:57:29 -102.397680 0.016648 BFGS: 2022 11:57:29 -102.405971 0.035295 BFGS: 2023 11:57:30 -102.406100 0.031290 BFGS: 2024 11:57:30 -102.404830 0.050817 BFGS: 2025 11:57:30 -102.405557 0.041110 BFGS: 2026 11:57:31 -102.402281 0.045247 BFGS: 2027 11:57:31 -102.397684 0.016645 BFGS: 2028 11:57:31 -102.405967 0.035377 BFGS: 2029 11:57:32 -102.406097 0.031422 BFGS: 2030 11:57:32 -102.404800 0.051141 BFGS: 2031 11:57:32 -102.405547 0.041381 BFGS: 2032 11:57:33 -102.402287 0.045189 BFGS: 2033 11:57:33 -102.397678 0.016507 BFGS: 2034 11:57:33 -102.405970 0.035284 BFGS: 2035 11:57:34 -102.406100 0.031253 BFGS: 2036 11:57:34 -102.404836 0.050810 BFGS: 2037 11:57:34 -102.405559 0.041015 BFGS: 2038 11:57:35 -102.402272 0.045350 BFGS: 2039 11:57:35 -102.397685 0.016475 BFGS: 2040 11:57:35 -102.405964 0.035385 BFGS: 2041 11:57:35 -102.406095 0.031468 BFGS: 2042 11:57:36 -102.404785 0.051311 BFGS: 2043 11:57:36 -102.405542 0.041473 BFGS: 2044 11:57:37 -102.402287 0.045181 BFGS: 2045 11:57:37 -102.397675 0.016277 BFGS: 2046 11:57:37 -102.403015 0.034755 BFGS: 2047 11:57:38 -102.406102 0.031172 BFGS: 2048 11:57:38 -102.401865 0.050987 BFGS: 2049 11:57:39 -102.402601 0.041433 BFGS: 2050 11:57:39 -102.405271 0.045379 BFGS: 2051 11:57:40 -102.397683 0.015652 BFGS: 2052 11:57:40 -102.405974 0.035297 BFGS: 2053 11:57:41 -102.406101 0.031331 BFGS: 2054 11:57:41 -102.401873 0.051331 BFGS: 2055 11:57:41 -102.405560 0.040920 BFGS: 2056 11:57:42 -102.405240 0.045989 BFGS: 2057 11:57:42 -102.397684 0.016163 BFGS: 2058 11:57:43 -102.405966 0.035449 BFGS: 2059 11:57:43 -102.406096 0.031481 BFGS: 2060 11:57:43 -102.401840 0.051751 BFGS: 2061 11:57:44 -102.405548 0.041292 BFGS: 2062 11:57:44 -102.405232 0.046014 BFGS: 2063 11:57:45 -102.397679 0.016429 BFGS: 2064 11:57:45 -102.405966 0.035390 BFGS: 2065 11:57:46 -102.406097 0.031353 BFGS: 2066 11:57:46 -102.404820 0.051060 BFGS: 2067 11:57:47 -102.405554 0.041052 BFGS: 2068 11:57:48 -102.402269 0.045419 BFGS: 2069 11:57:48 -102.397682 0.016445 BFGS: 2070 11:57:48 -102.405964 0.035382 BFGS: 2071 11:57:48 -102.406096 0.031420 BFGS: 2072 11:57:49 -102.404800 0.051224 BFGS: 2073 11:57:49 -102.405548 0.041215 BFGS: 2074 11:57:49 -102.402278 0.045313 BFGS: 2075 11:57:49 -102.397678 0.016325 BFGS: 2076 11:57:49 -102.403011 0.034834 BFGS: 2077 11:57:50 -102.406099 0.031293 BFGS: 2078 11:57:50 -102.401840 0.051255 BFGS: 2079 11:57:50 -102.402594 0.041540 BFGS: 2080 11:57:50 -102.405275 0.045346 BFGS: 2081 11:57:50 -102.397678 0.015638 BFGS: 2082 11:57:50 -102.405976 0.035239 BFGS: 2083 11:57:50 -102.406103 0.031208 BFGS: 2084 11:57:50 -102.401902 0.051085 BFGS: 2085 11:57:50 -102.405570 0.040363 BFGS: 2086 11:57:50 -102.405227 0.046144 BFGS: 2087 11:57:50 -102.397690 0.016217 BFGS: 2088 11:57:50 -102.405960 0.035561 BFGS: 2089 11:57:51 -102.406092 0.031663 BFGS: 2090 11:57:51 -102.401800 0.052164 BFGS: 2091 11:57:51 -102.405536 0.041536 BFGS: 2092 11:57:51 -102.402287 0.045426 BFGS: 2093 11:57:51 -102.397672 0.016255 BFGS: 2094 11:57:51 -102.405973 0.035277 BFGS: 2095 11:57:51 -102.406103 0.031136 BFGS: 2096 11:57:51 -102.404871 0.050561 BFGS: 2097 11:57:52 -102.405573 0.040166 BFGS: 2098 11:57:52 -102.402256 0.045593 BFGS: 2099 11:57:52 -102.406141 0.025146 BFGS: 2100 11:57:52 -102.405073 0.048376 BFGS: 2101 11:57:52 -102.397283 0.014505 BFGS: 2102 11:57:52 -102.402141 0.046873 BFGS: 2103 11:57:53 -102.406114 0.030582 BFGS: 2104 11:57:53 -102.404302 0.060192 BFGS: 2105 11:57:53 -102.405389 0.044236 BFGS: 2106 11:57:53 -102.402441 0.043514 BFGS: 2107 11:57:53 -102.397583 0.015786 BFGS: 2108 11:57:53 -102.406039 0.033607 BFGS: 2109 11:57:53 -102.397677 0.016453 BFGS: 2110 11:57:53 -102.406117 0.030220 BFGS: 2111 11:57:53 -102.406138 0.027079 BFGS: 2112 11:57:53 -102.397462 0.013762 BFGS: 2113 11:57:54 -102.397567 0.014262 BFGS: 2114 11:57:54 -102.401757 0.050308 BFGS: 2115 11:57:54 -102.403002 0.035059 BFGS: 2116 11:57:54 -102.404594 0.058950 BFGS: 2117 11:57:54 -102.405526 0.041863 BFGS: 2118 11:57:54 -102.402291 0.045263 BFGS: 2119 11:57:54 -102.397667 0.015876 BFGS: 2120 11:57:54 -102.405975 0.035193 BFGS: 2121 11:57:54 -102.406105 0.030977 BFGS: 2122 11:57:54 -102.404907 0.050213 BFGS: 2123 11:57:54 -102.405585 0.039694 BFGS: 2124 11:57:55 -102.402237 0.045803 BFGS: 2125 11:57:55 -102.406137 0.027714 BFGS: 2126 11:57:55 -102.404677 0.052283 BFGS: 2127 11:57:55 -102.405529 0.041627 BFGS: 2128 11:57:55 -102.402301 0.045078 BFGS: 2129 11:57:55 -102.397667 0.016480 BFGS: 2130 11:57:56 -102.405977 0.035133 BFGS: 2131 11:57:56 -102.406106 0.030937 BFGS: 2132 11:57:56 -102.404913 0.050096 BFGS: 2133 11:57:56 -102.405587 0.039158 BFGS: 2134 11:57:57 -102.402241 0.045732 BFGS: 2135 11:57:57 -102.406137 0.027734 BFGS: 2136 11:57:57 -102.404673 0.052286 BFGS: 2137 11:57:58 -102.405528 0.041556 BFGS: 2138 11:57:58 -102.402305 0.044996 BFGS: 2139 11:57:58 -102.397666 0.016591 BFGS: 2140 11:57:58 -102.405979 0.035082 BFGS: 2141 11:57:59 -102.406107 0.030871 BFGS: 2142 11:57:59 -102.404926 0.049944 BFGS: 2143 11:57:59 -102.405592 0.038053 BFGS: 2144 11:58:00 -102.402239 0.045754 BFGS: 2145 11:58:00 -102.406136 0.027950 BFGS: 2146 11:58:00 -102.404636 0.052617 BFGS: 2147 11:58:01 -102.405514 0.041835 BFGS: 2148 11:58:01 -102.402320 0.044820 BFGS: 2149 11:58:01 -102.397657 0.016493 BFGS: 2150 11:58:01 -102.405986 0.034920 BFGS: 2151 11:58:01 -102.406112 0.030552 BFGS: 2152 11:58:01 -102.404994 0.049226 BFGS: 2153 11:58:02 -102.397214 0.015007 BFGS: 2154 11:58:02 -102.402212 0.046129 BFGS: 2155 11:58:02 -102.406140 0.026215 BFGS: 2156 11:58:02 -102.404910 0.050053 BFGS: 2157 11:58:03 -102.397219 0.014930 BFGS: 2158 11:58:03 -102.402209 0.046141 BFGS: 2159 11:58:03 -102.406139 0.027158 BFGS: 2160 11:58:04 -102.404761 0.051468 BFGS: 2161 11:58:04 -102.405563 0.040196 BFGS: 2162 11:58:04 -102.402272 0.045326 BFGS: 2163 11:58:04 -102.397685 0.016444 BFGS: 2164 11:58:05 -102.403008 0.034903 BFGS: 2165 11:58:05 -102.406096 0.031457 BFGS: 2166 11:58:05 -102.401809 0.051486 BFGS: 2167 11:58:06 -102.405541 0.040977 BFGS: 2168 11:58:06 -102.405263 0.045556 BFGS: 2169 11:58:06 -102.397672 0.016077 BFGS: 2170 11:58:06 -102.405974 0.035183 BFGS: 2171 11:58:07 -102.406102 0.031078 BFGS: 2172 11:58:07 -102.401918 0.050958 BFGS: 2173 11:58:07 -102.405575 0.039327 BFGS: 2174 11:58:08 -102.402248 0.045799 BFGS: 2175 11:58:08 -102.406140 0.026140 BFGS: 2176 11:58:08 -102.404929 0.049867 BFGS: 2177 11:58:08 -102.397226 0.014805 BFGS: 2178 11:58:09 -102.402201 0.046238 BFGS: 2179 11:58:09 -102.406136 0.027950 BFGS: 2180 11:58:09 -102.404622 0.052749 BFGS: 2181 11:58:09 -102.405510 0.041856 BFGS: 2182 11:58:10 -102.402325 0.044755 BFGS: 2183 11:58:10 -102.397654 0.015974 BFGS: 2184 11:58:10 -102.405988 0.034822 BFGS: 2185 11:58:11 -102.406114 0.030420 BFGS: 2186 11:58:11 -102.405020 0.048934 BFGS: 2187 11:58:11 -102.397222 0.014754 BFGS: 2188 11:58:12 -102.402205 0.046189 BFGS: 2189 11:58:12 -102.406137 0.027554 BFGS: 2190 11:58:12 -102.404694 0.052100 BFGS: 2191 11:58:13 -102.405536 0.041049 BFGS: 2192 11:58:13 -102.402299 0.045039 BFGS: 2193 11:58:13 -102.397669 0.015990 BFGS: 2194 11:58:13 -102.403020 0.034641 BFGS: 2195 11:58:14 -102.406106 0.030971 BFGS: 2196 11:58:14 -102.401920 0.050437 BFGS: 2197 11:58:14 -102.402622 0.038755 BFGS: 2198 11:58:15 -102.405254 0.045555 BFGS: 2199 11:58:15 -102.397691 0.015364 BFGS: 2200 11:58:15 -102.405967 0.035447 BFGS: 2201 11:58:15 -102.406095 0.031594 BFGS: 2202 11:58:16 -102.401817 0.051870 BFGS: 2203 11:58:16 -102.405543 0.040772 BFGS: 2204 11:58:16 -102.405256 0.045786 BFGS: 2205 11:58:17 -102.397672 0.015829 BFGS: 2206 11:58:17 -102.405973 0.035264 BFGS: 2207 11:58:17 -102.406103 0.031141 BFGS: 2208 11:58:17 -102.404877 0.050465 BFGS: 2209 11:58:18 -102.405576 0.038663 BFGS: 2210 11:58:18 -102.405218 0.046024 BFGS: 2211 11:58:18 -102.406140 0.023129 BFGS: 2212 11:58:19 -102.405317 0.045420 BFGS: 2213 11:58:19 -102.397383 0.014191 BFGS: 2214 11:58:19 -102.402164 0.046591 BFGS: 2215 11:58:19 -102.406083 0.032110 BFGS: 2216 11:58:20 -102.404376 0.054955 BFGS: 2217 11:58:20 -102.405413 0.043723 BFGS: 2218 11:58:20 -102.402416 0.043788 BFGS: 2219 11:58:21 -102.397596 0.015658 BFGS: 2220 11:58:21 -102.406028 0.033866 BFGS: 2221 11:58:22 -102.397687 0.016174 BFGS: 2222 11:58:22 -102.406109 0.030697 BFGS: 2223 11:58:22 -102.406131 0.028580 BFGS: 2224 11:58:22 -102.397317 0.014420 BFGS: 2225 11:58:23 -102.397492 0.013883 BFGS: 2226 11:58:23 -102.401858 0.049436 BFGS: 2227 11:58:23 -102.403046 0.034031 BFGS: 2228 11:58:24 -102.404513 0.058449 BFGS: 2229 11:58:24 -102.405483 0.042600 BFGS: 2230 11:58:25 -102.402335 0.044770 BFGS: 2231 11:58:25 -102.397640 0.015458 BFGS: 2232 11:58:25 -102.405995 0.034735 BFGS: 2233 11:58:25 -102.406120 0.029935 BFGS: 2234 11:58:26 -102.405128 0.047834 BFGS: 2235 11:58:26 -102.397260 0.015087 BFGS: 2236 11:58:26 -102.402183 0.046508 BFGS: 2237 11:58:27 -102.406125 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-102.401831 0.049861 BFGS: 6959 12:11:12 -102.403040 0.034187 BFGS: 6960 12:11:12 -102.404503 0.054896 BFGS: 6961 12:11:12 -102.405500 0.043924 BFGS: 6962 12:11:12 -102.402310 0.045194 BFGS: 6963 12:11:13 -102.397659 0.015274 BFGS: 6964 12:11:13 -102.405982 0.035012 BFGS: 6965 12:11:13 -102.406107 0.030695 BFGS: 6966 12:11:13 -102.404974 0.050474 BFGS: 6967 12:11:13 -102.405625 0.040812 BFGS: 6968 12:11:13 -102.402188 0.046520 BFGS: 6969 12:11:13 -102.406113 0.030384 BFGS: 6970 12:11:13 -102.404261 0.056831 BFGS: 6971 12:11:13 -102.405396 0.045466 BFGS: 6972 12:11:13 -102.402410 0.044073 BFGS: 6973 12:11:13 -102.397600 0.015170 BFGS: 6974 12:11:13 -102.406026 0.033904 BFGS: 6975 12:11:14 -102.397684 0.015835 BFGS: 6976 12:11:14 -102.406106 0.030736 BFGS: 6977 12:11:14 -102.406128 0.028627 BFGS: 6978 12:11:14 -102.397329 0.014333 BFGS: 6979 12:11:14 -102.397494 0.014231 BFGS: 6980 12:11:14 -102.401845 0.049781 BFGS: 6981 12:11:14 -102.403048 0.033986 BFGS: 6982 12:11:14 -102.404477 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-102.405490 0.043994 BFGS: 7324 12:11:41 -102.402324 0.045060 BFGS: 7325 12:11:41 -102.397654 0.015685 BFGS: 7326 12:11:41 -102.405986 0.034857 BFGS: 7327 12:11:41 -102.406109 0.030525 BFGS: 7328 12:11:41 -102.405014 0.050097 BFGS: 7329 12:11:42 -102.405642 0.039133 BFGS: 7330 12:11:42 -102.402177 0.046688 BFGS: 7331 12:11:42 -102.406106 0.030815 BFGS: 7332 12:11:42 -102.404275 0.056764 BFGS: 7333 12:11:42 -102.405403 0.045391 BFGS: 7334 12:11:42 -102.402408 0.044113 BFGS: 7335 12:11:42 -102.397605 0.015310 BFGS: 7336 12:11:42 -102.406023 0.033962 BFGS: 7337 12:11:42 -102.406136 0.024803 BFGS: 7338 12:11:42 -102.397360 0.014196 BFGS: 7339 12:11:42 -102.397518 0.014484 BFGS: 7340 12:11:42 -102.401814 0.050056 BFGS: 7341 12:11:43 -102.403034 0.034319 BFGS: 7342 12:11:43 -102.404505 0.054960 BFGS: 7343 12:11:43 -102.405507 0.043779 BFGS: 7344 12:11:43 -102.402301 0.045334 BFGS: 7345 12:11:43 -102.397664 0.015405 BFGS: 7346 12:11:43 -102.405978 0.035093 BFGS: 7347 12:11:43 -102.406103 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-102.397318 0.014506 BFGS: 7616 12:12:04 -102.402599 0.041822 BFGS: 7617 12:12:04 -102.397656 0.014263 BFGS: 7618 12:12:04 -102.406026 0.033837 BFGS: 7619 12:12:04 -102.406117 0.029789 BFGS: 7620 12:12:05 -102.405238 0.047825 BFGS: 7621 12:12:05 -102.397317 0.014521 BFGS: 7622 12:12:05 -102.402597 0.041851 BFGS: 7623 12:12:05 -102.397656 0.014277 BFGS: 7624 12:12:05 -102.406025 0.033848 BFGS: 7625 12:12:05 -102.406117 0.029798 BFGS: 7626 12:12:05 -102.405235 0.047861 BFGS: 7627 12:12:05 -102.397316 0.014537 BFGS: 7628 12:12:05 -102.402595 0.041880 BFGS: 7629 12:12:05 -102.397656 0.014290 BFGS: 7630 12:12:05 -102.406025 0.033858 BFGS: 7631 12:12:05 -102.406117 0.029806 BFGS: 7632 12:12:06 -102.405232 0.047897 BFGS: 7633 12:12:06 -102.397315 0.014551 BFGS: 7634 12:12:06 -102.402592 0.041909 BFGS: 7635 12:12:06 -102.397656 0.014305 BFGS: 7636 12:12:06 -102.406025 0.033868 BFGS: 7637 12:12:06 -102.406117 0.029815 BFGS: 7638 12:12:06 -102.405229 0.047933 BFGS: 7639 12:12:06 -102.397314 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-102.402102 0.047576 BFGS: 7689 12:12:10 -102.406079 0.032119 BFGS: 7690 12:12:10 -102.401380 0.064839 BFGS: 7691 12:12:10 -102.405419 0.045512 BFGS: 7692 12:12:10 -102.402379 0.044619 BFGS: 7693 12:12:10 -102.397620 0.014422 BFGS: 7694 12:12:10 -102.406012 0.034204 BFGS: 7695 12:12:10 -102.406130 0.028393 BFGS: 7696 12:12:10 -102.405388 0.045931 BFGS: 7697 12:12:10 -102.397374 0.014015 BFGS: 7698 12:12:10 -102.402645 0.041155 BFGS: 7699 12:12:11 -102.397676 0.014811 BFGS: 7700 12:12:11 -102.406025 0.033868 BFGS: 7701 12:12:11 -102.406110 0.030447 BFGS: 7702 12:12:11 -102.405125 0.049077 BFGS: 7703 12:12:11 -102.405678 0.039918 BFGS: 7704 12:12:11 -102.402133 0.047152 BFGS: 7705 12:12:11 -102.406089 0.031690 BFGS: 7706 12:12:11 -102.401356 0.064434 BFGS: 7707 12:12:11 -102.405409 0.045612 BFGS: 7708 12:12:11 -102.402388 0.044490 BFGS: 7709 12:12:11 -102.397614 0.014547 BFGS: 7710 12:12:11 -102.406016 0.034106 BFGS: 7711 12:12:12 -102.406132 0.027804 BFGS: 7712 12:12:12 -102.405474 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-102.397606 0.015378 BFGS: 7908 12:12:40 -102.406022 0.033995 BFGS: 7909 12:12:41 -102.406136 0.025804 BFGS: 7910 12:12:41 -102.405695 0.036877 BFGS: 7911 12:12:41 -102.397498 0.014412 BFGS: 7912 12:12:41 -102.402736 0.039707 BFGS: 7913 12:12:41 -102.406118 0.029877 BFGS: 7914 12:12:41 -102.404629 0.053700 BFGS: 7915 12:12:41 -102.405510 0.044016 BFGS: 7916 12:12:41 -102.402292 0.045359 BFGS: 7917 12:12:41 -102.397669 0.015843 BFGS: 7918 12:12:41 -102.403018 0.034684 BFGS: 7919 12:12:41 -102.406102 0.031021 BFGS: 7920 12:12:42 -102.404889 0.051110 BFGS: 7921 12:12:42 -102.405596 0.042238 BFGS: 7922 12:12:42 -102.402237 0.045878 BFGS: 7923 12:12:42 -102.406123 0.029504 BFGS: 7924 12:12:42 -102.404317 0.056287 BFGS: 7925 12:12:42 -102.405419 0.045326 BFGS: 7926 12:12:42 -102.402404 0.044091 BFGS: 7927 12:12:42 -102.397614 0.015355 BFGS: 7928 12:12:42 -102.406019 0.034088 BFGS: 7929 12:12:42 -102.406133 0.027573 BFGS: 7930 12:12:42 -102.405515 0.043882 BFGS: 7931 12:12:42 -102.397424 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-102.404464 0.055297 BFGS: 8565 12:13:54 -102.405483 0.044533 BFGS: 8566 12:13:54 -102.402321 0.045142 BFGS: 8567 12:13:54 -102.397655 0.015134 BFGS: 8568 12:13:54 -102.405987 0.034907 BFGS: 8569 12:13:54 -102.406111 0.030473 BFGS: 8570 12:13:54 -102.405012 0.050205 BFGS: 8571 12:13:54 -102.405638 0.041349 BFGS: 8572 12:13:54 -102.402171 0.046751 BFGS: 8573 12:13:55 -102.406105 0.030899 BFGS: 8574 12:13:55 -102.404271 0.058181 BFGS: 8575 12:13:55 -102.405397 0.045711 BFGS: 8576 12:13:55 -102.402405 0.044180 BFGS: 8577 12:13:55 -102.397605 0.015051 BFGS: 8578 12:13:55 -102.406024 0.033969 BFGS: 8579 12:13:55 -102.406137 0.025087 BFGS: 8580 12:13:55 -102.397341 0.014360 BFGS: 8581 12:13:55 -102.397509 0.014240 BFGS: 8582 12:13:55 -102.401826 0.049987 BFGS: 8583 12:13:55 -102.403040 0.034177 BFGS: 8584 12:13:55 -102.404490 0.055107 BFGS: 8585 12:13:55 -102.405496 0.044333 BFGS: 8586 12:13:55 -102.402306 0.045297 BFGS: 8587 12:13:56 -102.397661 0.015358 BFGS: 8588 12:13:56 -102.405981 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-102.402296 0.045367 BFGS: 8711 12:14:05 -102.397663 0.015591 BFGS: 8712 12:14:05 -102.403022 0.034595 BFGS: 8713 12:14:05 -102.406106 0.030824 BFGS: 8714 12:14:05 -102.404940 0.050634 BFGS: 8715 12:14:05 -102.405615 0.041780 BFGS: 8716 12:14:06 -102.402211 0.046146 BFGS: 8717 12:14:06 -102.406117 0.030159 BFGS: 8718 12:14:06 -102.404257 0.056775 BFGS: 8719 12:14:06 -102.405397 0.045625 BFGS: 8720 12:14:06 -102.402416 0.043947 BFGS: 8721 12:14:07 -102.397603 0.015317 BFGS: 8722 12:14:07 -102.406027 0.033892 BFGS: 8723 12:14:07 -102.397686 0.015941 BFGS: 8724 12:14:07 -102.406107 0.030756 BFGS: 8725 12:14:07 -102.406128 0.028703 BFGS: 8726 12:14:07 -102.397322 0.014359 BFGS: 8727 12:14:07 -102.397490 0.014435 BFGS: 8728 12:14:07 -102.401860 0.049605 BFGS: 8729 12:14:07 -102.406009 0.034351 BFGS: 8730 12:14:07 -102.404474 0.055003 BFGS: 8731 12:14:08 -102.405487 0.044321 BFGS: 8732 12:14:08 -102.402325 0.045031 BFGS: 8733 12:14:08 -102.397656 0.015655 BFGS: 8734 12:14:08 -102.403030 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-102.406109 0.030493 BFGS: 8930 12:14:23 -102.405013 0.050138 BFGS: 8931 12:14:23 -102.405641 0.040550 BFGS: 8932 12:14:23 -102.402182 0.046589 BFGS: 8933 12:14:23 -102.406105 0.030858 BFGS: 8934 12:14:23 -102.404280 0.056737 BFGS: 8935 12:14:23 -102.405403 0.045540 BFGS: 8936 12:14:23 -102.402411 0.044065 BFGS: 8937 12:14:23 -102.397606 0.015058 BFGS: 8938 12:14:24 -102.406024 0.033946 BFGS: 8939 12:14:24 -102.406136 0.025334 BFGS: 8940 12:14:24 -102.397326 0.014242 BFGS: 8941 12:14:24 -102.397501 0.014327 BFGS: 8942 12:14:24 -102.401845 0.049773 BFGS: 8943 12:14:24 -102.403046 0.034016 BFGS: 8944 12:14:24 -102.404485 0.055151 BFGS: 8945 12:14:24 -102.405495 0.044209 BFGS: 8946 12:14:24 -102.402315 0.045162 BFGS: 8947 12:14:24 -102.397658 0.015101 BFGS: 8948 12:14:24 -102.405983 0.034968 BFGS: 8949 12:14:24 -102.406107 0.030649 BFGS: 8950 12:14:24 -102.404982 0.050525 BFGS: 8951 12:14:24 -102.405630 0.041013 BFGS: 8952 12:14:25 -102.402183 0.046600 BFGS: 8953 12:14:25 -102.406109 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-102.402738 0.039749 BFGS: 9003 12:14:29 -102.397683 0.015399 BFGS: 9004 12:14:29 -102.406036 0.033569 BFGS: 9005 12:14:29 -102.406108 0.030538 BFGS: 9006 12:14:29 -102.405171 0.048440 BFGS: 9007 12:14:29 -102.397296 0.014400 BFGS: 9008 12:14:29 -102.402598 0.041794 BFGS: 9009 12:14:29 -102.397643 0.015066 BFGS: 9010 12:14:29 -102.406032 0.033696 BFGS: 9011 12:14:29 -102.406124 0.029097 BFGS: 9012 12:14:29 -102.405374 0.045985 BFGS: 9013 12:14:29 -102.397366 0.014181 BFGS: 9014 12:14:29 -102.402673 0.040739 BFGS: 9015 12:14:30 -102.397662 0.015079 BFGS: 9016 12:14:30 -102.406035 0.033595 BFGS: 9017 12:14:30 -102.406117 0.029859 BFGS: 9018 12:14:30 -102.405272 0.047308 BFGS: 9019 12:14:30 -102.397330 0.014246 BFGS: 9020 12:14:30 -102.402633 0.041316 BFGS: 9021 12:14:30 -102.397652 0.014928 BFGS: 9022 12:14:30 -102.406033 0.033647 BFGS: 9023 12:14:30 -102.406120 0.029504 BFGS: 9024 12:14:30 -102.405317 0.046758 BFGS: 9025 12:14:30 -102.397346 0.014172 BFGS: 9026 12:14:30 -102.402649 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-102.397469 0.013863 BFGS: 9733 12:15:23 -102.397580 0.014284 BFGS: 9734 12:15:23 -102.401730 0.050778 BFGS: 9735 12:15:23 -102.402995 0.035193 BFGS: 9736 12:15:24 -102.404579 0.054256 BFGS: 9737 12:15:24 -102.405541 0.043439 BFGS: 9738 12:15:24 -102.402266 0.045742 BFGS: 9739 12:15:24 -102.397685 0.015200 BFGS: 9740 12:15:24 -102.405962 0.035413 BFGS: 9741 12:15:24 -102.406091 0.031561 BFGS: 9742 12:15:24 -102.404770 0.052546 BFGS: 9743 12:15:24 -102.405554 0.043154 BFGS: 9744 12:15:24 -102.402255 0.045865 BFGS: 9745 12:15:24 -102.406135 0.026751 BFGS: 9746 12:15:24 -102.404818 0.051989 BFGS: 9747 12:15:24 -102.405599 0.042134 BFGS: 9748 12:15:24 -102.402214 0.046278 BFGS: 9749 12:15:24 -102.406121 0.029690 BFGS: 9750 12:15:25 -102.404278 0.057016 BFGS: 9751 12:15:25 -102.405404 0.045513 BFGS: 9752 12:15:25 -102.402402 0.044194 BFGS: 9753 12:15:25 -102.397606 0.014925 BFGS: 9754 12:15:25 -102.406022 0.033992 BFGS: 9755 12:15:25 -102.406136 0.026096 BFGS: 9756 12:15:25 -102.405668 0.039499 BFGS: 9757 12:15:25 -102.397486 0.014122 BFGS: 9758 12:15:25 -102.402727 0.039881 BFGS: 9759 12:15:25 -102.406120 0.029679 BFGS: 9760 12:15:25 -102.404650 0.053473 BFGS: 9761 12:15:25 -102.405515 0.043800 BFGS: 9762 12:15:26 -102.402296 0.045360 BFGS: 9763 12:15:26 -102.397669 0.015375 BFGS: 9764 12:15:26 -102.403018 0.034687 BFGS: 9765 12:15:26 -102.406102 0.031038 BFGS: 9766 12:15:26 -102.401921 0.051663 BFGS: 9767 12:15:26 -102.405591 0.042239 BFGS: 9768 12:15:26 -102.402237 0.046042 BFGS: 9769 12:15:26 -102.406125 0.029288 BFGS: 9770 12:15:26 -102.401400 0.056456 BFGS: 9771 12:15:26 -102.405430 0.045105 BFGS: 9772 12:15:26 -102.402382 0.044505 BFGS: 9773 12:15:26 -102.397622 0.014976 BFGS: 9774 12:15:26 -102.406012 0.034299 BFGS: 9775 12:15:26 -102.406129 0.028625 BFGS: 9776 12:15:27 -102.405360 0.046082 BFGS: 9777 12:15:27 -102.397362 0.014102 BFGS: 9778 12:15:27 -102.402616 0.041519 BFGS: 9779 12:15:27 -102.397676 0.015252 BFGS: 9780 12:15:27 -102.406020 0.034057 BFGS: 9781 12:15:27 -102.406109 0.030586 BFGS: 9782 12:15:27 -102.405093 0.049238 BFGS: 9783 12:15:27 -102.405667 0.039411 BFGS: 9784 12:15:27 -102.402153 0.046920 BFGS: 9785 12:15:27 -102.406097 0.031356 BFGS: 9786 12:15:27 -102.404306 0.056469 BFGS: 9787 12:15:27 -102.405406 0.045448 BFGS: 9788 12:15:28 -102.402408 0.044117 BFGS: 9789 12:15:28 -102.397606 0.014838 BFGS: 9790 12:15:28 -102.406023 0.033974 BFGS: 9791 12:15:28 -102.406136 0.025965 BFGS: 9792 12:15:28 -102.405679 0.037783 BFGS: 9793 12:15:28 -102.397490 0.014097 BFGS: 9794 12:15:28 -102.402712 0.040065 BFGS: 9795 12:15:28 -102.406116 0.030022 BFGS: 9796 12:15:28 -102.404570 0.054153 BFGS: 9797 12:15:28 -102.405488 0.044214 BFGS: 9798 12:15:28 -102.402327 0.044993 BFGS: 9799 12:15:28 -102.397653 0.015057 BFGS: 9800 12:15:28 -102.405987 0.034861 BFGS: 9801 12:15:29 -102.406111 0.030420 BFGS: 9802 12:15:29 -102.405025 0.049979 BFGS: 9803 12:15:29 -102.405641 0.040687 BFGS: 9804 12:15:29 -102.402178 0.046642 BFGS: 9805 12:15:29 -102.406107 0.030784 BFGS: 9806 12:15:29 -102.404283 0.056674 BFGS: 9807 12:15:29 -102.405399 0.045531 BFGS: 9808 12:15:29 -102.402413 0.044060 BFGS: 9809 12:15:29 -102.397602 0.014791 BFGS: 9810 12:15:29 -102.406026 0.033895 BFGS: 9811 12:15:29 -102.397686 0.015384 BFGS: 9812 12:15:29 -102.406106 0.030757 BFGS: 9813 12:15:29 -102.406127 0.028735 BFGS: 9814 12:15:29 -102.397311 0.014301 BFGS: 9815 12:15:30 -102.397485 0.013967 BFGS: 9816 12:15:30 -102.401868 0.049584 BFGS: 9817 12:15:30 -102.403054 0.033816 BFGS: 9818 12:15:30 -102.404471 0.055130 BFGS: 9819 12:15:30 -102.405483 0.044337 BFGS: 9820 12:15:30 -102.402328 0.045038 BFGS: 9821 12:15:30 -102.397652 0.014851 BFGS: 9822 12:15:30 -102.405989 0.034847 BFGS: 9823 12:15:30 -102.406112 0.030355 BFGS: 9824 12:15:30 -102.405038 0.049831 BFGS: 9825 12:15:30 -102.405646 0.040486 BFGS: 9826 12:15:30 -102.402169 0.046754 BFGS: 9827 12:15:30 -102.406104 0.030953 BFGS: 9828 12:15:30 -102.404284 0.056655 BFGS: 9829 12:15:31 -102.405399 0.045532 BFGS: 9830 12:15:31 -102.402409 0.044121 BFGS: 9831 12:15:31 -102.397603 0.014779 BFGS: 9832 12:15:31 -102.406025 0.033934 BFGS: 9833 12:15:31 -102.406137 0.023696 BFGS: 9834 12:15:31 -102.397415 0.013990 BFGS: 9835 12:15:31 -102.397550 0.014271 BFGS: 9836 12:15:31 -102.401773 0.050399 BFGS: 9837 12:15:31 -102.403015 0.034765 BFGS: 9838 12:15:31 -102.404546 0.054524 BFGS: 9839 12:15:31 -102.405523 0.043673 BFGS: 9840 12:15:31 -102.402285 0.045514 BFGS: 9841 12:15:31 -102.397674 0.015164 BFGS: 9842 12:15:32 -102.405971 0.035246 BFGS: 9843 12:15:32 -102.406098 0.031205 BFGS: 9844 12:15:32 -102.404854 0.051699 BFGS: 9845 12:15:32 -102.405582 0.042429 BFGS: 9846 12:15:32 -102.402228 0.046139 BFGS: 9847 12:15:32 -102.406127 0.028973 BFGS: 9848 12:15:32 -102.404422 0.055503 BFGS: 9849 12:15:32 -102.405453 0.044757 BFGS: 9850 12:15:32 -102.402355 0.044727 BFGS: 9851 12:15:32 -102.397634 0.015120 BFGS: 9852 12:15:32 -102.406002 0.034512 BFGS: 9853 12:15:32 -102.406122 0.029477 BFGS: 9854 12:15:32 -102.405217 0.047859 BFGS: 9855 12:15:32 -102.397309 0.014445 BFGS: 9856 12:15:33 -102.402559 0.042300 BFGS: 9857 12:15:33 -102.397660 0.015307 BFGS: 9858 12:15:33 -102.406018 0.034078 BFGS: 9859 12:15:33 -102.406115 0.030132 BFGS: 9860 12:15:33 -102.405167 0.048447 BFGS: 9861 12:15:33 -102.397291 0.014532 BFGS: 9862 12:15:33 -102.402540 0.042574 BFGS: 9863 12:15:33 -102.397656 0.015235 BFGS: 9864 12:15:33 -102.406017 0.034090 BFGS: 9865 12:15:33 -102.406117 0.029990 BFGS: 9866 12:15:34 -102.405186 0.048241 BFGS: 9867 12:15:34 -102.397297 0.014460 BFGS: 9868 12:15:34 -102.402546 0.042488 BFGS: 9869 12:15:34 -102.397658 0.015198 BFGS: 9870 12:15:34 -102.406017 0.034077 BFGS: 9871 12:15:35 -102.406116 0.030055 BFGS: 9872 12:15:35 -102.405174 0.048373 BFGS: 9873 12:15:35 -102.397293 0.014454 BFGS: 9874 12:15:35 -102.402542 0.042551 BFGS: 9875 12:15:36 -102.397657 0.015131 BFGS: 9876 12:15:36 -102.406017 0.034087 BFGS: 9877 12:15:36 -102.406116 0.030033 BFGS: 9878 12:15:36 -102.405175 0.048362 BFGS: 9879 12:15:37 -102.397294 0.014429 BFGS: 9880 12:15:37 -102.402542 0.042550 BFGS: 9881 12:15:37 -102.397657 0.015072 BFGS: 9882 12:15:37 -102.406017 0.034094 BFGS: 9883 12:15:38 -102.406116 0.030046 BFGS: 9884 12:15:38 -102.405172 0.048406 BFGS: 9885 12:15:38 -102.397292 0.014425 BFGS: 9886 12:15:38 -102.402540 0.042576 BFGS: 9887 12:15:39 -102.397657 0.015012 BFGS: 9888 12:15:39 -102.406017 0.034103 BFGS: 9889 12:15:39 -102.406116 0.030045 BFGS: 9890 12:15:39 -102.405170 0.048430 BFGS: 9891 12:15:39 -102.397292 0.014423 BFGS: 9892 12:15:40 -102.402538 0.042593 BFGS: 9893 12:15:40 -102.397657 0.014959 BFGS: 9894 12:15:40 -102.406016 0.034111 BFGS: 9895 12:15:40 -102.406116 0.030050 BFGS: 9896 12:15:40 -102.405168 0.048463 BFGS: 9897 12:15:41 -102.397291 0.014429 BFGS: 9898 12:15:41 -102.402537 0.042615 BFGS: 9899 12:15:41 -102.397657 0.014912 BFGS: 9900 12:15:42 -102.406016 0.034120 BFGS: 9901 12:15:42 -102.406116 0.030054 BFGS: 9902 12:15:42 -102.405166 0.048492 BFGS: 9903 12:15:42 -102.397290 0.014438 BFGS: 9904 12:15:43 -102.402535 0.042635 BFGS: 9905 12:15:43 -102.397657 0.014871 BFGS: 9906 12:15:43 -102.406016 0.034128 BFGS: 9907 12:15:43 -102.406116 0.030058 BFGS: 9908 12:15:44 -102.405163 0.048521 BFGS: 9909 12:15:44 -102.405692 0.035910 BFGS: 9910 12:15:44 -102.402123 0.047314 BFGS: 9911 12:15:45 -102.406089 0.031745 BFGS: 9912 12:15:45 -102.404323 0.056394 BFGS: 9913 12:15:45 -102.405411 0.045413 BFGS: 9914 12:15:45 -102.402400 0.044234 BFGS: 9915 12:15:46 -102.397610 0.014654 BFGS: 9916 12:15:46 -102.406020 0.034026 BFGS: 9917 12:15:46 -102.406134 0.027122 BFGS: 9918 12:15:46 -102.405562 0.042949 BFGS: 9919 12:15:46 -102.397441 0.013909 BFGS: 9920 12:15:46 -102.402695 0.040381 BFGS: 9921 12:15:47 -102.406130 0.028295 BFGS: 9922 12:15:47 -102.404855 0.051607 BFGS: 9923 12:15:47 -102.405591 0.042302 BFGS: 9924 12:15:47 -102.402227 0.046101 BFGS: 9925 12:15:47 -102.406125 0.029306 BFGS: 9926 12:15:48 -102.404351 0.056078 BFGS: 9927 12:15:48 -102.405427 0.045163 BFGS: 9928 12:15:48 -102.402386 0.044354 BFGS: 9929 12:15:49 -102.397619 0.014726 BFGS: 9930 12:15:49 -102.406014 0.034206 BFGS: 9931 12:15:49 -102.406130 0.028306 BFGS: 9932 12:15:49 -102.405408 0.045456 BFGS: 9933 12:15:50 -102.397380 0.014008 BFGS: 9934 12:15:50 -102.402629 0.041331 BFGS: 9935 12:15:50 -102.397683 0.015074 BFGS: 9936 12:15:50 -102.406018 0.034057 BFGS: 9937 12:15:50 -102.406105 0.030767 BFGS: 9938 12:15:50 -102.405059 0.049630 BFGS: 9939 12:15:50 -102.405654 0.040286 BFGS: 9940 12:15:50 -102.402163 0.046807 BFGS: 9941 12:15:51 -102.406101 0.031096 BFGS: 9942 12:15:51 -102.404294 0.056581 BFGS: 9943 12:15:51 -102.405401 0.045522 BFGS: 9944 12:15:51 -102.402410 0.044098 BFGS: 9945 12:15:51 -102.397604 0.014637 BFGS: 9946 12:15:51 -102.406024 0.033920 BFGS: 9947 12:15:51 -102.406137 0.024731 BFGS: 9948 12:15:51 -102.397360 0.014073 BFGS: 9949 12:15:51 -102.397520 0.014048 BFGS: 9950 12:15:51 -102.401820 0.049987 BFGS: 9951 12:15:52 -102.403034 0.034316 BFGS: 9952 12:15:52 -102.404514 0.054793 BFGS: 9953 12:15:52 -102.405504 0.044025 BFGS: 9954 12:15:52 -102.402306 0.045263 BFGS: 9955 12:15:52 -102.397663 0.014892 BFGS: 9956 12:15:52 -102.405980 0.035040 BFGS: 9957 12:15:52 -102.406105 0.030803 BFGS: 9958 12:15:52 -102.404941 0.050837 BFGS: 9959 12:15:52 -102.405611 0.041772 BFGS: 9960 12:15:52 -102.402202 0.046389 BFGS: 9961 12:15:52 -102.406117 0.030031 BFGS: 9962 12:15:53 -102.404250 0.056918 BFGS: 9963 12:15:53 -102.405393 0.045630 BFGS: 9964 12:15:53 -102.402413 0.044063 BFGS: 9965 12:15:53 -102.397599 0.014738 BFGS: 9966 12:15:53 -102.406027 0.033859 BFGS: 9967 12:15:53 -102.397684 0.015381 BFGS: 9968 12:15:53 -102.406107 0.030687 BFGS: 9969 12:15:53 -102.406128 0.028557 BFGS: 9970 12:15:53 -102.397333 0.014285 BFGS: 9971 12:15:53 -102.397497 0.014032 BFGS: 9972 12:15:54 -102.401847 0.049764 BFGS: 9973 12:15:54 -102.403047 0.034001 BFGS: 9974 12:15:54 -102.404481 0.055032 BFGS: 9975 12:15:54 -102.405489 0.044267 BFGS: 9976 12:15:54 -102.402319 0.045143 BFGS: 9977 12:15:54 -102.397655 0.014938 BFGS: 9978 12:15:54 -102.405985 0.034917 BFGS: 9979 12:15:54 -102.406110 0.030521 BFGS: 9980 12:15:54 -102.405002 0.050202 BFGS: 9981 12:15:54 -102.405633 0.041110 BFGS: 9982 12:15:54 -102.402179 0.046647 BFGS: 9983 12:15:54 -102.406109 0.030669 BFGS: 9984 12:15:55 -102.404269 0.057178 BFGS: 9985 12:15:55 -102.405395 0.045598 BFGS: 9986 12:15:55 -102.402410 0.044115 BFGS: 9987 12:15:55 -102.397602 0.014833 BFGS: 9988 12:15:55 -102.406026 0.033902 BFGS: 9989 12:15:55 -102.397686 0.015558 BFGS: 9990 12:15:55 -102.406106 0.030764 BFGS: 9991 12:15:55 -102.406127 0.028729 BFGS: 9992 12:15:55 -102.397313 0.014500 BFGS: 9993 12:15:55 -102.397486 0.014030 BFGS: 9994 12:15:55 -102.401860 0.049664 BFGS: 9995 12:15:55 -102.403053 0.033851 BFGS: 9996 12:15:55 -102.404467 0.055153 BFGS: 9997 12:15:56 -102.405482 0.044382 BFGS: 9998 12:15:56 -102.402324 0.045100 BFGS: 9999 12:15:56 -102.397652 0.015022 BFGS: 10000 12:15:56 -102.405988 0.034864 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.04144405577758073 eV/Angstrom Maximum stress component: 0.001050940420991461 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[6.84869171e-01 6.44991572e-01 3.16495176e-01] [8.15130829e-01 3.55008428e-01 8.16495176e-01] [8.15130829e-01 6.44991572e-01 1.83504824e-01] [6.84869171e-01 3.55008428e-01 6.83504824e-01] [3.15130829e-01 3.55008428e-01 6.83504824e-01] [1.84869171e-01 6.44991572e-01 1.83504824e-01] [1.84869171e-01 3.55008428e-01 8.16495176e-01] [3.15130829e-01 6.44991572e-01 3.16495176e-01] [6.83949605e-01 3.23123108e-01 1.84283310e-01] [8.16050395e-01 6.76876892e-01 6.84283310e-01] [8.16050395e-01 3.23123108e-01 3.15716690e-01] [6.83949605e-01 6.76876892e-01 8.15716690e-01] [3.16050395e-01 6.76876892e-01 8.15716690e-01] [1.83949605e-01 3.23123108e-01 3.15716690e-01] [1.83949605e-01 6.76876892e-01 6.84283310e-01] [3.16050395e-01 3.23123108e-01 1.84283310e-01] [0.00000000e+00 2.80557724e-17 0.00000000e+00] [5.00000000e-01 2.80557724e-17 5.00000000e-01] [5.00000000e-01 2.80557724e-17 0.00000000e+00] [0.00000000e+00 2.80557724e-17 5.00000000e-01] [8.46757907e-01 2.80557724e-17 0.00000000e+00] [6.53242093e-01 2.80557724e-17 5.00000000e-01] [1.53242093e-01 2.80557724e-17 1.75000287e-35] [3.46757907e-01 2.80557724e-17 5.00000000e-01] [2.50000000e-01 4.83933084e-01 2.50000000e-01] [2.50000000e-01 5.16066916e-01 7.50000000e-01] [7.50000000e-01 5.16066916e-01 7.50000000e-01] [7.50000000e-01 4.83933084e-01 2.50000000e-01] [0.00000000e+00 3.73178930e-02 6.53688454e-01] [5.00000000e-01 9.62682107e-01 1.53688454e-01] [5.00000000e-01 3.73178930e-02 8.46311546e-01] [5.48448625e-37 9.62682107e-01 3.46311546e-01]] cellpar = Cell([[8.180902875978283, -5.671521080639421e-35, 0.0], [-1.6072943591295906e-34, 3.3288714684652208, 0.0], [0.0, 0.0, 8.117013519529147]]) forces = [[ 2.11690574e-03 -3.03605226e-03 -2.02542838e-03] [-2.11690574e-03 3.03605226e-03 -2.02542838e-03] [-2.11690574e-03 -3.03605226e-03 2.02542838e-03] [ 2.11690574e-03 3.03605226e-03 2.02542838e-03] [-2.11690574e-03 3.03605226e-03 2.02542838e-03] [ 2.11690574e-03 -3.03605226e-03 2.02542838e-03] [ 2.11690574e-03 3.03605226e-03 -2.02542838e-03] [-2.11690574e-03 -3.03605226e-03 -2.02542838e-03] [ 4.58567224e-03 3.71872176e-03 3.59772439e-03] [-4.58567224e-03 -3.71872176e-03 3.59772439e-03] [-4.58567224e-03 3.71872176e-03 -3.59772439e-03] [ 4.58567224e-03 -3.71872176e-03 -3.59772439e-03] [-4.58567224e-03 -3.71872176e-03 -3.59772439e-03] [ 4.58567224e-03 3.71872176e-03 -3.59772439e-03] [ 4.58567224e-03 -3.71872176e-03 3.59772439e-03] [-4.58567224e-03 3.71872176e-03 3.59772439e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.53495690e-04 1.75739301e-39 0.00000000e+00] [ 2.53495690e-04 -1.75739301e-39 0.00000000e+00] [ 2.53495690e-04 -1.75739301e-39 0.00000000e+00] [-2.53495690e-04 1.75739301e-39 0.00000000e+00] [-2.64339229e-26 -4.14440558e-02 0.00000000e+00] [-2.00106245e-36 4.14440558e-02 5.24549704e-26] [ 2.64339229e-26 4.14440558e-02 0.00000000e+00] [ 2.00106245e-36 -4.14440558e-02 -5.24549704e-26] [ 1.25912457e-36 -2.60777612e-02 9.08938535e-03] [-1.25912457e-36 2.60777612e-02 9.08938535e-03] [ 1.25912457e-36 -2.60777612e-02 -9.08938535e-03] [-1.25912457e-36 2.60777612e-02 -9.08938535e-03]] stress = [-1.05094042e-03 -3.66769623e-04 -3.24832354e-05 0.00000000e+00 0.00000000e+00 2.37296927e-28] energy per atom = -3.156137978502579 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'N', 'N', 'N', 'N', 'N'] representative atom coordinates = [[0.7086024 0.2804313 0.33974928] [0.6657556 0.59030142 0.20543721] [0. 0. 0. ] [0.5 0. 0. ] [0.86922564 0. 0. ] [0.25 0.43623501 0.25 ] [0. 0.14458606 0.62258857]] spacegroup = 53 cell = [[9.0713, 0, 0], [0, 3.9018, 0], [0, 0, 8.5142]] ========================================= Step Time Energy fmax BFGS: 0 12:15:59 -88.230449 18.315049 BFGS: 1 12:16:00 -95.588051 15.921410 BFGS: 2 12:16:00 -87.344955 38.284248 BFGS: 3 12:16:00 -100.015532 6.616476 BFGS: 4 12:16:01 -93.666439 38.568580 BFGS: 5 12:16:01 -93.680339 29.644109 BFGS: 6 12:16:01 -93.584031 36.753704 BFGS: 7 12:16:01 -100.371023 15.709011 BFGS: 8 12:16:01 -101.135809 12.470831 BFGS: 9 12:16:02 -98.118043 57.056229 BFGS: 10 12:16:02 -101.354877 6.783257 BFGS: 11 12:16:02 -101.422798 4.418961 BFGS: 12 12:16:03 -101.418780 8.238167 BFGS: 13 12:16:03 -101.448504 2.510089 BFGS: 14 12:16:03 -101.450680 2.466544 BFGS: 15 12:16:03 -101.457914 0.613186 BFGS: 16 12:16:04 -101.458721 0.772719 BFGS: 17 12:16:04 -101.459777 0.477308 BFGS: 18 12:16:04 -101.465857 0.729492 BFGS: 19 12:16:04 -101.470028 0.876214 BFGS: 20 12:16:04 -101.482020 0.831949 BFGS: 21 12:16:04 -101.491894 0.606227 BFGS: 22 12:16:04 -101.503042 0.661892 BFGS: 23 12:16:04 -101.515469 0.695354 BFGS: 24 12:16:04 -101.529126 0.718832 BFGS: 25 12:16:04 -101.543953 0.874611 BFGS: 26 12:16:04 -101.559843 1.149845 BFGS: 27 12:16:04 -101.576588 1.353317 BFGS: 28 12:16:04 -101.593854 1.481949 BFGS: 29 12:16:04 -101.611196 1.546230 BFGS: 30 12:16:05 -101.628225 1.561474 BFGS: 31 12:16:05 -101.644592 1.554984 BFGS: 32 12:16:05 -101.660237 1.535242 BFGS: 33 12:16:05 -101.675220 1.509055 BFGS: 34 12:16:05 -101.689659 1.477756 BFGS: 35 12:16:05 -101.703660 1.443044 BFGS: 36 12:16:05 -101.717311 1.405999 BFGS: 37 12:16:05 -101.730674 1.368023 BFGS: 38 12:16:05 -101.743800 1.329918 BFGS: 39 12:16:05 -101.756724 1.292516 BFGS: 40 12:16:05 -101.769478 1.256032 BFGS: 41 12:16:05 -101.782076 1.220933 BFGS: 42 12:16:05 -101.794566 1.181572 BFGS: 43 12:16:05 -101.806864 1.160273 BFGS: 44 12:16:05 -101.819177 1.108253 BFGS: 45 12:16:06 -101.831143 1.120010 BFGS: 46 12:16:06 -101.843516 0.999733 BFGS: 47 12:16:06 -101.854801 1.144826 BFGS: 48 12:16:06 -101.867266 0.946384 BFGS: 49 12:16:06 -101.878524 1.054899 BFGS: 50 12:16:07 -101.890338 0.994847 BFGS: 51 12:16:07 -101.901753 1.014527 BFGS: 52 12:16:07 -101.913255 0.985765 BFGS: 53 12:16:07 -101.924523 0.986999 BFGS: 54 12:16:08 -101.935772 0.966424 BFGS: 55 12:16:08 -101.946844 0.958575 BFGS: 56 12:16:08 -101.957836 0.938140 BFGS: 57 12:16:08 -101.968648 0.925631 BFGS: 58 12:16:09 -101.979345 0.902840 BFGS: 59 12:16:09 -101.989834 0.887516 BFGS: 60 12:16:09 -102.000181 0.861012 BFGS: 61 12:16:09 -102.010275 0.844520 BFGS: 62 12:16:09 -102.020208 0.811922 BFGS: 63 12:16:10 -102.029840 0.794880 BFGS: 64 12:16:10 -102.039248 0.785331 BFGS: 65 12:16:10 -102.056481 0.729192 BFGS: 66 12:16:10 -102.065601 0.589562 BFGS: 67 12:16:10 -102.073012 0.694057 BFGS: 68 12:16:11 -102.080775 0.571797 BFGS: 69 12:16:11 -102.087804 0.618252 BFGS: 70 12:16:11 -102.094645 0.541665 BFGS: 71 12:16:11 -102.100983 0.564746 BFGS: 72 12:16:11 -102.107012 0.498456 BFGS: 73 12:16:12 -102.115871 0.544004 BFGS: 74 12:16:12 -102.119845 0.093297 BFGS: 75 12:16:12 -102.122225 0.130648 BFGS: 76 12:16:12 -102.124159 0.084155 BFGS: 77 12:16:12 -102.125822 0.099657 BFGS: 78 12:16:13 -102.127629 0.108635 BFGS: 79 12:16:13 -102.130122 0.177479 BFGS: 80 12:16:13 -102.133646 0.271809 BFGS: 81 12:16:13 -102.146438 0.354743 BFGS: 82 12:16:13 -102.156432 0.703847 BFGS: 83 12:16:14 -102.166330 0.784852 BFGS: 84 12:16:14 -102.177234 0.786195 BFGS: 85 12:16:14 -102.191541 0.762486 BFGS: 86 12:16:14 -102.203138 0.693015 BFGS: 87 12:16:14 -102.212371 0.607110 BFGS: 88 12:16:14 -102.219698 0.495406 BFGS: 89 12:16:14 -102.225341 0.434304 BFGS: 90 12:16:14 -102.215915 0.437329 BFGS: 91 12:16:14 -102.217339 0.734157 BFGS: 92 12:16:14 -102.219200 0.632004 BFGS: 93 12:16:14 -102.230953 0.683559 BFGS: 94 12:16:15 -102.237842 0.787239 BFGS: 95 12:16:15 -102.238310 0.707454 BFGS: 96 12:16:15 -102.242737 0.717823 BFGS: 97 12:16:15 -102.251553 0.776732 BFGS: 98 12:16:15 -102.253881 0.766682 BFGS: 99 12:16:15 -102.260597 0.798965 BFGS: 100 12:16:15 -102.268196 0.839054 BFGS: 101 12:16:15 -102.276714 0.885892 BFGS: 102 12:16:15 -102.286187 0.930076 BFGS: 103 12:16:16 -102.296571 0.953897 BFGS: 104 12:16:16 -102.307341 0.903113 BFGS: 105 12:16:16 -102.303767 0.642428 BFGS: 106 12:16:16 -102.313114 0.579902 BFGS: 107 12:16:16 -102.313780 0.220111 BFGS: 108 12:16:16 -102.305417 0.793542 BFGS: 109 12:16:16 -102.306411 0.480170 BFGS: 110 12:16:16 -102.307979 0.359592 BFGS: 111 12:16:16 -102.321545 0.780825 BFGS: 112 12:16:16 -102.325457 1.045441 BFGS: 113 12:16:16 -102.329584 1.167229 BFGS: 114 12:16:17 -102.325248 1.181403 BFGS: 115 12:16:17 -102.329369 1.120110 BFGS: 116 12:16:17 -102.324551 0.997112 BFGS: 117 12:16:17 -102.327986 0.720899 BFGS: 118 12:16:17 -102.330796 0.446015 BFGS: 119 12:16:17 -102.333123 0.663259 BFGS: 120 12:16:17 -102.335071 0.865717 BFGS: 121 12:16:17 -102.336724 0.988285 BFGS: 122 12:16:17 -102.338211 1.040939 BFGS: 123 12:16:17 -102.339518 1.068040 BFGS: 124 12:16:17 -102.340871 1.049692 BFGS: 125 12:16:17 -102.342335 1.158098 BFGS: 126 12:16:18 -102.344206 1.228166 BFGS: 127 12:16:18 -102.346499 1.206756 BFGS: 128 12:16:18 -102.349954 1.152766 BFGS: 129 12:16:18 -102.353134 1.097385 BFGS: 130 12:16:18 -102.357796 0.697068 BFGS: 131 12:16:18 -102.360693 0.750084 BFGS: 132 12:16:18 -102.364324 0.178975 BFGS: 133 12:16:18 -102.366979 0.391097 BFGS: 134 12:16:18 -102.370292 0.102776 BFGS: 135 12:16:18 -102.372917 0.209468 BFGS: 136 12:16:18 -102.375294 0.129820 BFGS: 137 12:16:18 -102.377133 0.237384 BFGS: 138 12:16:19 -102.378339 0.170510 BFGS: 139 12:16:19 -102.379114 0.290643 BFGS: 140 12:16:19 -102.379615 0.273164 BFGS: 141 12:16:19 -102.379640 0.317859 BFGS: 142 12:16:19 -102.379594 0.298125 BFGS: 143 12:16:19 -102.379618 0.307704 BFGS: 144 12:16:19 -102.379958 0.289765 BFGS: 145 12:16:19 -102.380600 0.197127 BFGS: 146 12:16:19 -102.381250 0.086324 BFGS: 147 12:16:19 -102.381679 0.216633 BFGS: 148 12:16:19 -102.381669 0.216545 BFGS: 149 12:16:19 -102.381790 0.121912 BFGS: 150 12:16:19 -102.381809 0.209990 BFGS: 151 12:16:20 -102.381864 0.253855 BFGS: 152 12:16:20 -102.382043 0.177219 BFGS: 153 12:16:20 -102.382599 0.275491 BFGS: 154 12:16:20 -102.383656 0.323606 BFGS: 155 12:16:20 -102.385041 0.480220 BFGS: 156 12:16:20 -102.394999 0.638160 BFGS: 157 12:16:20 -102.387931 0.787237 BFGS: 158 12:16:20 -102.389404 0.863027 BFGS: 159 12:16:20 -102.390936 0.884191 BFGS: 160 12:16:20 -102.392460 0.871585 BFGS: 161 12:16:20 -102.393697 0.775670 BFGS: 162 12:16:20 -102.394961 0.798451 BFGS: 163 12:16:20 -102.396073 0.720514 BFGS: 164 12:16:21 -102.396853 0.824993 BFGS: 165 12:16:21 -102.397505 0.484028 BFGS: 166 12:16:21 -102.397539 0.839934 BFGS: 167 12:16:21 -102.405801 0.232017 BFGS: 168 12:16:21 -102.393956 0.839244 BFGS: 169 12:16:21 -102.397555 0.084280 BFGS: 170 12:16:21 -102.397366 0.219438 BFGS: 171 12:16:21 -102.397412 0.105682 BFGS: 172 12:16:21 -102.397459 0.022271 BFGS: 173 12:16:21 -102.405717 0.060684 BFGS: 174 12:16:21 -102.397549 0.036318 BFGS: 175 12:16:21 -102.405982 0.036463 BFGS: 176 12:16:21 -102.410904 0.092582 BFGS: 177 12:16:22 -102.397657 0.016316 BFGS: 178 12:16:22 -102.403159 0.032538 BFGS: 179 12:16:22 -102.397701 0.017492 BFGS: 180 12:16:22 -102.397711 0.019669 BFGS: 181 12:16:22 -102.410845 0.106989 BFGS: 182 12:16:22 -102.414440 0.033048 BFGS: 183 12:16:22 -102.393763 0.062757 BFGS: 184 12:16:22 -102.397376 0.048804 BFGS: 185 12:16:22 -102.414278 0.072157 BFGS: 186 12:16:22 -102.397564 0.021555 BFGS: 187 12:16:22 -102.397660 0.027193 BFGS: 188 12:16:22 -102.410110 0.185045 BFGS: 189 12:16:23 -102.411412 0.045507 BFGS: 190 12:16:23 -102.396350 0.149841 BFGS: 191 12:16:23 -102.397130 0.060107 BFGS: 192 12:16:23 -102.410437 0.168789 BFGS: 193 12:16:23 -102.397544 0.018060 BFGS: 194 12:16:23 -102.406163 0.040802 BFGS: 195 12:16:23 -102.397592 0.024134 BFGS: 196 12:16:23 -102.397623 0.029937 BFGS: 197 12:16:23 -102.408474 0.382915 BFGS: 198 12:16:23 -102.411197 0.041405 BFGS: 199 12:16:23 -102.394645 0.695183 BFGS: 200 12:16:23 -102.396698 0.026092 BFGS: 201 12:16:23 -102.410431 0.073043 BFGS: 202 12:16:24 -102.397369 0.050268 BFGS: 203 12:16:24 -102.397655 0.029727 BFGS: 204 12:16:24 -102.406569 0.805002 BFGS: 205 12:16:24 -102.411110 0.032763 BFGS: 206 12:16:24 -102.395815 0.267821 BFGS: 207 12:16:24 -102.397015 0.035651 BFGS: 208 12:16:24 -102.409606 0.057279 BFGS: 209 12:16:24 -102.397644 0.039538 BFGS: 210 12:16:24 -102.411365 0.029228 BFGS: 211 12:16:24 -102.406176 0.028559 BFGS: 212 12:16:24 -102.394368 0.044246 BFGS: 213 12:16:24 -102.397546 0.021301 BFGS: 214 12:16:25 -102.413254 0.034961 BFGS: 215 12:16:25 -102.406088 0.036184 BFGS: 216 12:16:25 -102.396264 0.142476 BFGS: 217 12:16:25 -102.397133 0.035426 BFGS: 218 12:16:25 -102.413746 0.023476 BFGS: 219 12:16:25 -102.397637 0.016452 BFGS: 220 12:16:25 -102.406094 0.035639 BFGS: 221 12:16:25 -102.397736 0.017087 BFGS: 222 12:16:25 -102.406161 0.032377 BFGS: 223 12:16:25 -102.403224 0.034165 BFGS: 224 12:16:25 -102.396290 0.286479 BFGS: 225 12:16:25 -102.397067 0.080932 BFGS: 226 12:16:25 -102.410352 0.083788 BFGS: 227 12:16:25 -102.397565 0.017585 BFGS: 228 12:16:26 -102.411608 0.021587 BFGS: 229 12:16:26 -102.406057 0.033442 BFGS: 230 12:16:26 -102.397707 0.017220 BFGS: 231 12:16:26 -102.402955 0.057252 BFGS: 232 12:16:26 -102.406209 0.031914 BFGS: 233 12:16:26 -102.405325 0.045230 BFGS: 234 12:16:26 -102.405772 0.039728 BFGS: 235 12:16:26 -102.401057 0.208587 BFGS: 236 12:16:26 -102.403192 0.034404 BFGS: 237 12:16:26 -102.403905 0.173048 BFGS: 238 12:16:26 -102.405289 0.045176 BFGS: 239 12:16:26 -102.401960 0.100003 BFGS: 240 12:16:26 -102.397624 0.017224 BFGS: 241 12:16:27 -102.403209 0.034463 BFGS: 242 12:16:27 -102.397728 0.018064 BFGS: 243 12:16:27 -102.397788 0.020189 BFGS: 244 12:16:27 -102.400928 0.292597 BFGS: 245 12:16:27 -102.402908 0.049847 BFGS: 246 12:16:27 -102.404857 0.091874 BFGS: 247 12:16:27 -102.397366 0.023667 BFGS: 248 12:16:27 -102.401971 0.118365 BFGS: 249 12:16:27 -102.403301 0.032572 BFGS: 250 12:16:27 -102.404329 0.165535 BFGS: 251 12:16:27 -102.397125 0.029228 BFGS: 252 12:16:27 -102.402331 0.089450 BFGS: 253 12:16:27 -102.397762 0.016822 BFGS: 254 12:16:28 -102.403190 0.035800 BFGS: 255 12:16:28 -102.406322 0.028141 BFGS: 256 12:16:28 -102.405952 0.034828 BFGS: 257 12:16:28 -102.397719 0.022472 BFGS: 258 12:16:28 -102.401577 0.149560 BFGS: 259 12:16:28 -102.403111 0.037279 BFGS: 260 12:16:28 -102.404810 0.139953 BFGS: 261 12:16:28 -102.397349 0.031326 BFGS: 262 12:16:28 -102.402266 0.075453 BFGS: 263 12:16:28 -102.397918 0.015879 BFGS: 264 12:16:28 -102.403128 0.037339 BFGS: 265 12:16:28 -102.403318 0.033933 BFGS: 266 12:16:29 -102.404784 0.152588 BFGS: 267 12:16:29 -102.405685 0.040978 BFGS: 268 12:16:29 -102.402201 0.085637 BFGS: 269 12:16:29 -102.397896 0.016095 BFGS: 270 12:16:29 -102.403196 0.036721 BFGS: 271 12:16:29 -102.406351 0.033008 BFGS: 272 12:16:29 -102.405507 0.054842 BFGS: 273 12:16:29 -102.405958 0.038255 BFGS: 274 12:16:29 -102.401876 0.117595 BFGS: 275 12:16:29 -102.403371 0.033825 BFGS: 276 12:16:29 -102.404469 0.163740 BFGS: 277 12:16:29 -102.405610 0.042175 BFGS: 278 12:16:30 -102.402477 0.071128 BFGS: 279 12:16:30 -102.397850 0.016483 BFGS: 280 12:16:30 -102.403350 0.034866 BFGS: 281 12:16:30 -102.397968 0.015953 BFGS: 282 12:16:30 -102.406425 0.031527 BFGS: 283 12:16:30 -102.406448 0.028215 BFGS: 284 12:16:30 -102.406162 0.042955 BFGS: 285 12:16:30 -102.406184 0.040883 BFGS: 286 12:16:30 -102.394993 0.038145 BFGS: 287 12:16:30 -102.402946 0.081514 BFGS: 288 12:16:30 -102.403128 0.068828 BFGS: 289 12:16:30 -102.404530 0.060148 BFGS: 290 12:16:30 -102.405438 0.048657 BFGS: 291 12:16:31 -102.401955 0.134339 BFGS: 292 12:16:31 -102.394634 0.025353 BFGS: 293 12:16:31 -102.402919 0.045215 BFGS: 294 12:16:31 -102.403077 0.037111 BFGS: 295 12:16:31 -102.404938 0.052506 BFGS: 296 12:16:31 -102.405569 0.046299 BFGS: 297 12:16:31 -102.401305 0.148522 BFGS: 298 12:16:31 -102.402993 0.031910 BFGS: 299 12:16:31 -102.403841 0.096923 BFGS: 300 12:16:31 -102.405245 0.049460 BFGS: 301 12:16:31 -102.401708 0.093236 BFGS: 302 12:16:32 -102.394620 0.015926 BFGS: 303 12:16:32 -102.402921 0.033668 BFGS: 304 12:16:32 -102.403112 0.027824 BFGS: 305 12:16:32 -102.405215 0.049871 BFGS: 306 12:16:32 -102.405693 0.044233 BFGS: 307 12:16:32 -102.400875 0.144930 BFGS: 308 12:16:32 -102.402906 0.034142 BFGS: 309 12:16:32 -102.403840 0.137460 BFGS: 310 12:16:32 -102.405291 0.048800 BFGS: 311 12:16:32 -102.401451 0.077703 BFGS: 312 12:16:32 -102.394672 0.017060 BFGS: 313 12:16:32 -102.402879 0.034863 BFGS: 314 12:16:32 -102.403097 0.030266 BFGS: 315 12:16:33 -102.404777 0.064578 BFGS: 316 12:16:33 -102.405551 0.045956 BFGS: 317 12:16:33 -102.400861 0.126030 BFGS: 318 12:16:33 -102.403018 0.032812 BFGS: 319 12:16:33 -102.403536 0.188121 BFGS: 320 12:16:33 -102.405205 0.049517 BFGS: 321 12:16:33 -102.401351 0.074017 BFGS: 322 12:16:33 -102.394668 0.023483 BFGS: 323 12:16:33 -102.402917 0.034797 BFGS: 324 12:16:33 -102.403147 0.028812 BFGS: 325 12:16:33 -102.405181 0.050031 BFGS: 326 12:16:33 -102.405716 0.042851 BFGS: 327 12:16:33 -102.400342 0.158745 BFGS: 328 12:16:34 -102.402896 0.035226 BFGS: 329 12:16:34 -102.403533 0.211780 BFGS: 330 12:16:34 -102.405258 0.048737 BFGS: 331 12:16:34 -102.401044 0.073532 BFGS: 332 12:16:34 -102.394717 0.027943 BFGS: 333 12:16:34 -102.402856 0.035952 BFGS: 334 12:16:34 -102.403109 0.031376 BFGS: 335 12:16:34 -102.404636 0.095560 BFGS: 336 12:16:34 -102.405542 0.045525 BFGS: 337 12:16:34 -102.400339 0.144336 BFGS: 338 12:16:34 -102.403016 0.034056 BFGS: 339 12:16:34 -102.403147 0.264150 BFGS: 340 12:16:35 -102.405156 0.049568 BFGS: 341 12:16:35 -102.400922 0.076897 BFGS: 342 12:16:35 -102.397662 0.045708 BFGS: 343 12:16:35 -102.402795 0.036565 BFGS: 344 12:16:35 -102.403095 0.031329 BFGS: 345 12:16:35 -102.404591 0.092824 BFGS: 346 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-102.404026 0.120348 BFGS: 5109 12:24:14 -102.406029 0.042704 BFGS: 5110 12:24:15 -102.393835 0.108863 BFGS: 5111 12:24:15 -102.397261 0.015240 BFGS: 5112 12:24:15 -102.405074 0.053542 BFGS: 5113 12:24:15 -102.405958 0.026396 BFGS: 5114 12:24:15 -102.406082 0.027632 BFGS: 5115 12:24:16 -102.403876 0.135877 BFGS: 5116 12:24:16 -102.406019 0.042983 BFGS: 5117 12:24:16 -102.393843 0.107572 BFGS: 5118 12:24:16 -102.402756 0.028406 BFGS: 5119 12:24:16 -102.405052 0.053605 BFGS: 5120 12:24:16 -102.405960 0.026181 BFGS: 5121 12:24:17 -102.397634 0.026595 BFGS: 5122 12:24:17 -102.404024 0.120749 BFGS: 5123 12:24:17 -102.406029 0.042724 BFGS: 5124 12:24:17 -102.393836 0.108482 BFGS: 5125 12:24:17 -102.394305 0.021586 BFGS: 5126 12:24:17 -102.405063 0.053558 BFGS: 5127 12:24:18 -102.405960 0.026537 BFGS: 5128 12:24:18 -102.406084 0.027202 BFGS: 5129 12:24:18 -102.403875 0.136076 BFGS: 5130 12:24:18 -102.406017 0.043004 BFGS: 5131 12:24:18 -102.393844 0.107273 BFGS: 5132 12:24:18 -102.405713 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0.121079 BFGS: 5571 12:24:56 -102.406028 0.042728 BFGS: 5572 12:24:56 -102.393836 0.108385 BFGS: 5573 12:24:56 -102.394305 0.021737 BFGS: 5574 12:24:56 -102.405063 0.053553 BFGS: 5575 12:24:56 -102.405960 0.026413 BFGS: 5576 12:24:56 -102.406084 0.027068 BFGS: 5577 12:24:57 -102.403876 0.136489 BFGS: 5578 12:24:57 -102.406017 0.042999 BFGS: 5579 12:24:57 -102.393844 0.107260 BFGS: 5580 12:24:57 -102.405713 0.028619 BFGS: 5581 12:24:57 -102.405063 0.053610 BFGS: 5582 12:24:57 -102.405959 0.026196 BFGS: 5583 12:24:57 -102.406083 0.028139 BFGS: 5584 12:24:57 -102.400919 0.147122 BFGS: 5585 12:24:57 -102.406017 0.043035 BFGS: 5586 12:24:57 -102.393842 0.107437 BFGS: 5587 12:24:57 -102.402755 0.028461 BFGS: 5588 12:24:57 -102.405049 0.053624 BFGS: 5589 12:24:57 -102.405960 0.026001 BFGS: 5590 12:24:57 -102.397634 0.026273 BFGS: 5591 12:24:58 -102.404027 0.120994 BFGS: 5592 12:24:58 -102.406029 0.042722 BFGS: 5593 12:24:58 -102.393835 0.108456 BFGS: 5594 12:24:58 -102.394304 0.021731 BFGS: 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-102.402757 0.028421 BFGS: 5693 12:25:06 -102.405052 0.053590 BFGS: 5694 12:25:06 -102.405961 0.026323 BFGS: 5695 12:25:06 -102.406084 0.027523 BFGS: 5696 12:25:06 -102.403876 0.136485 BFGS: 5697 12:25:06 -102.406014 0.043049 BFGS: 5698 12:25:06 -102.393844 0.107371 BFGS: 5699 12:25:06 -102.405713 0.029069 BFGS: 5700 12:25:06 -102.405060 0.053620 BFGS: 5701 12:25:06 -102.405959 0.026102 BFGS: 5702 12:25:06 -102.397633 0.026175 BFGS: 5703 12:25:06 -102.401069 0.131277 BFGS: 5704 12:25:07 -102.406031 0.042709 BFGS: 5705 12:25:07 -102.393835 0.108211 BFGS: 5706 12:25:07 -102.402753 0.024932 BFGS: 5707 12:25:07 -102.405057 0.053586 BFGS: 5708 12:25:07 -102.405959 0.026060 BFGS: 5709 12:25:07 -102.397634 0.026244 BFGS: 5710 12:25:07 -102.404025 0.121169 BFGS: 5711 12:25:07 -102.406031 0.042690 BFGS: 5712 12:25:07 -102.393835 0.107756 BFGS: 5713 12:25:07 -102.394305 0.021563 BFGS: 5714 12:25:07 -102.405066 0.053533 BFGS: 5715 12:25:07 -102.405960 0.026384 BFGS: 5716 12:25:07 -102.406084 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-102.406084 0.027662 BFGS: 5766 12:25:11 -102.403878 0.136661 BFGS: 5767 12:25:11 -102.406014 0.043046 BFGS: 5768 12:25:11 -102.393842 0.107525 BFGS: 5769 12:25:11 -102.402756 0.028128 BFGS: 5770 12:25:11 -102.405047 0.053595 BFGS: 5771 12:25:12 -102.405961 0.026017 BFGS: 5772 12:25:12 -102.397635 0.026283 BFGS: 5773 12:25:12 -102.404027 0.120939 BFGS: 5774 12:25:12 -102.406029 0.042713 BFGS: 5775 12:25:12 -102.393835 0.108442 BFGS: 5776 12:25:12 -102.397261 0.015269 BFGS: 5777 12:25:12 -102.405074 0.053536 BFGS: 5778 12:25:12 -102.405958 0.026378 BFGS: 5779 12:25:12 -102.406082 0.027274 BFGS: 5780 12:25:12 -102.403877 0.136323 BFGS: 5781 12:25:12 -102.406019 0.042992 BFGS: 5782 12:25:12 -102.393843 0.107307 BFGS: 5783 12:25:12 -102.402756 0.028102 BFGS: 5784 12:25:12 -102.405051 0.053597 BFGS: 5785 12:25:13 -102.405960 0.026196 BFGS: 5786 12:25:13 -102.406084 0.028177 BFGS: 5787 12:25:13 -102.403879 0.136523 BFGS: 5788 12:25:13 -102.406015 0.043047 BFGS: 5789 12:25:13 -102.393843 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-102.393843 0.107194 BFGS: 5839 12:25:20 -102.402756 0.028316 BFGS: 5840 12:25:20 -102.405051 0.053578 BFGS: 5841 12:25:21 -102.405961 0.026271 BFGS: 5842 12:25:21 -102.406085 0.027701 BFGS: 5843 12:25:21 -102.403878 0.136436 BFGS: 5844 12:25:21 -102.406015 0.043036 BFGS: 5845 12:25:21 -102.393842 0.107619 BFGS: 5846 12:25:21 -102.405712 0.028910 BFGS: 5847 12:25:21 -102.405059 0.053587 BFGS: 5848 12:25:21 -102.405959 0.026076 BFGS: 5849 12:25:21 -102.397633 0.026262 BFGS: 5850 12:25:21 -102.404027 0.120739 BFGS: 5851 12:25:21 -102.406030 0.042704 BFGS: 5852 12:25:21 -102.393836 0.108492 BFGS: 5853 12:25:21 -102.394305 0.021744 BFGS: 5854 12:25:21 -102.405063 0.053559 BFGS: 5855 12:25:22 -102.405959 0.026425 BFGS: 5856 12:25:22 -102.406083 0.027143 BFGS: 5857 12:25:22 -102.403876 0.136404 BFGS: 5858 12:25:22 -102.406017 0.043006 BFGS: 5859 12:25:22 -102.393844 0.107266 BFGS: 5860 12:25:22 -102.402757 0.028409 BFGS: 5861 12:25:22 -102.405050 0.053591 BFGS: 5862 12:25:22 -102.405961 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0.042724 BFGS: 6958 12:26:59 -102.393837 0.107505 BFGS: 6959 12:26:59 -102.397262 0.015171 BFGS: 6960 12:26:59 -102.405075 0.053525 BFGS: 6961 12:26:59 -102.405958 0.026325 BFGS: 6962 12:26:59 -102.406082 0.027213 BFGS: 6963 12:26:59 -102.403878 0.136256 BFGS: 6964 12:26:59 -102.406019 0.042996 BFGS: 6965 12:26:59 -102.393844 0.106560 BFGS: 6966 12:26:59 -102.402756 0.027425 BFGS: 6967 12:26:59 -102.405050 0.053593 BFGS: 6968 12:27:00 -102.405960 0.026182 BFGS: 6969 12:27:00 -102.406084 0.027749 BFGS: 6970 12:27:00 -102.403879 0.136733 BFGS: 6971 12:27:00 -102.406014 0.043057 BFGS: 6972 12:27:00 -102.393844 0.106973 BFGS: 6973 12:27:00 -102.402756 0.027703 BFGS: 6974 12:27:00 -102.405046 0.053602 BFGS: 6975 12:27:00 -102.405960 0.026012 BFGS: 6976 12:27:00 -102.397635 0.026178 BFGS: 6977 12:27:00 -102.404028 0.121062 BFGS: 6978 12:27:00 -102.406028 0.042727 BFGS: 6979 12:27:00 -102.393837 0.107749 BFGS: 6980 12:27:00 -102.397262 0.015268 BFGS: 6981 12:27:01 -102.405074 0.053569 BFGS: 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-102.405074 0.053568 BFGS: 7080 12:27:08 -102.405958 0.026372 BFGS: 7081 12:27:08 -102.406082 0.027424 BFGS: 7082 12:27:08 -102.400919 0.147109 BFGS: 7083 12:27:08 -102.406020 0.042991 BFGS: 7084 12:27:08 -102.393843 0.106575 BFGS: 7085 12:27:08 -102.402756 0.028146 BFGS: 7086 12:27:08 -102.405051 0.053603 BFGS: 7087 12:27:08 -102.405960 0.026238 BFGS: 7088 12:27:08 -102.406084 0.027619 BFGS: 7089 12:27:08 -102.403878 0.136844 BFGS: 7090 12:27:09 -102.406014 0.043054 BFGS: 7091 12:27:09 -102.393842 0.107105 BFGS: 7092 12:27:09 -102.402756 0.028272 BFGS: 7093 12:27:09 -102.405045 0.053595 BFGS: 7094 12:27:09 -102.405960 0.026072 BFGS: 7095 12:27:09 -102.397634 0.026171 BFGS: 7096 12:27:09 -102.404029 0.120958 BFGS: 7097 12:27:09 -102.406029 0.042719 BFGS: 7098 12:27:09 -102.393835 0.107910 BFGS: 7099 12:27:09 -102.394305 0.021655 BFGS: 7100 12:27:09 -102.405062 0.053535 BFGS: 7101 12:27:09 -102.405960 0.026379 BFGS: 7102 12:27:09 -102.406084 0.027054 BFGS: 7103 12:27:09 -102.403878 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-102.404029 0.120401 BFGS: 7664 12:28:09 -102.406028 0.042727 BFGS: 7665 12:28:09 -102.393837 0.107991 BFGS: 7666 12:28:09 -102.397262 0.015304 BFGS: 7667 12:28:09 -102.405073 0.053565 BFGS: 7668 12:28:09 -102.405958 0.026377 BFGS: 7669 12:28:09 -102.406082 0.027512 BFGS: 7670 12:28:09 -102.400919 0.146481 BFGS: 7671 12:28:10 -102.406020 0.042995 BFGS: 7672 12:28:10 -102.393843 0.106753 BFGS: 7673 12:28:10 -102.402756 0.028362 BFGS: 7674 12:28:10 -102.405050 0.053602 BFGS: 7675 12:28:10 -102.405960 0.026244 BFGS: 7676 12:28:10 -102.406084 0.027874 BFGS: 7677 12:28:10 -102.403879 0.136237 BFGS: 7678 12:28:10 -102.406014 0.043055 BFGS: 7679 12:28:10 -102.393842 0.107331 BFGS: 7680 12:28:10 -102.402756 0.028430 BFGS: 7681 12:28:10 -102.405044 0.053596 BFGS: 7682 12:28:10 -102.405960 0.026090 BFGS: 7683 12:28:10 -102.397634 0.026256 BFGS: 7684 12:28:11 -102.404030 0.120380 BFGS: 7685 12:28:11 -102.406028 0.042719 BFGS: 7686 12:28:11 -102.393835 0.108073 BFGS: 7687 12:28:11 -102.402754 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-102.394305 0.021683 BFGS: 7737 12:28:18 -102.405063 0.053534 BFGS: 7738 12:28:18 -102.405960 0.026329 BFGS: 7739 12:28:18 -102.406084 0.027060 BFGS: 7740 12:28:18 -102.403879 0.135978 BFGS: 7741 12:28:18 -102.406017 0.042992 BFGS: 7742 12:28:18 -102.393843 0.106837 BFGS: 7743 12:28:18 -102.405713 0.027974 BFGS: 7744 12:28:18 -102.405059 0.053565 BFGS: 7745 12:28:18 -102.405959 0.026181 BFGS: 7746 12:28:18 -102.406083 0.027867 BFGS: 7747 12:28:19 -102.403879 0.136279 BFGS: 7748 12:28:19 -102.406016 0.043045 BFGS: 7749 12:28:19 -102.393843 0.107284 BFGS: 7750 12:28:19 -102.402756 0.027849 BFGS: 7751 12:28:19 -102.405045 0.053608 BFGS: 7752 12:28:19 -102.405960 0.026028 BFGS: 7753 12:28:19 -102.397634 0.026160 BFGS: 7754 12:28:19 -102.404028 0.120718 BFGS: 7755 12:28:19 -102.406028 0.042733 BFGS: 7756 12:28:19 -102.393836 0.107939 BFGS: 7757 12:28:19 -102.394305 0.021704 BFGS: 7758 12:28:20 -102.405062 0.053547 BFGS: 7759 12:28:20 -102.405960 0.026323 BFGS: 7760 12:28:20 -102.406084 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-102.397635 0.026191 BFGS: 7810 12:28:24 -102.404028 0.120627 BFGS: 7811 12:28:24 -102.406028 0.042732 BFGS: 7812 12:28:24 -102.393837 0.107926 BFGS: 7813 12:28:24 -102.397262 0.015316 BFGS: 7814 12:28:24 -102.405073 0.053563 BFGS: 7815 12:28:24 -102.405958 0.026373 BFGS: 7816 12:28:25 -102.406082 0.027404 BFGS: 7817 12:28:25 -102.400919 0.146607 BFGS: 7818 12:28:25 -102.406020 0.042996 BFGS: 7819 12:28:25 -102.393843 0.106705 BFGS: 7820 12:28:25 -102.402756 0.028104 BFGS: 7821 12:28:25 -102.405050 0.053602 BFGS: 7822 12:28:25 -102.405960 0.026249 BFGS: 7823 12:28:25 -102.406084 0.027580 BFGS: 7824 12:28:25 -102.403878 0.136421 BFGS: 7825 12:28:25 -102.406014 0.043059 BFGS: 7826 12:28:25 -102.393842 0.107254 BFGS: 7827 12:28:25 -102.402756 0.028236 BFGS: 7828 12:28:25 -102.405044 0.053595 BFGS: 7829 12:28:26 -102.405960 0.026100 BFGS: 7830 12:28:26 -102.397634 0.026195 BFGS: 7831 12:28:26 -102.404029 0.120550 BFGS: 7832 12:28:26 -102.406028 0.042724 BFGS: 7833 12:28:26 -102.393835 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-102.393843 0.106965 BFGS: 7883 12:28:30 -102.402756 0.028188 BFGS: 7884 12:28:30 -102.405048 0.053575 BFGS: 7885 12:28:30 -102.405960 0.026171 BFGS: 7886 12:28:30 -102.397635 0.026243 BFGS: 7887 12:28:30 -102.404030 0.120236 BFGS: 7888 12:28:30 -102.406029 0.042713 BFGS: 7889 12:28:30 -102.393836 0.107694 BFGS: 7890 12:28:30 -102.397262 0.015215 BFGS: 7891 12:28:30 -102.405074 0.053524 BFGS: 7892 12:28:31 -102.405958 0.026423 BFGS: 7893 12:28:31 -102.406082 0.027201 BFGS: 7894 12:28:31 -102.403878 0.135624 BFGS: 7895 12:28:31 -102.406019 0.042999 BFGS: 7896 12:28:31 -102.393844 0.106700 BFGS: 7897 12:28:31 -102.402757 0.028174 BFGS: 7898 12:28:31 -102.405050 0.053590 BFGS: 7899 12:28:31 -102.405960 0.026285 BFGS: 7900 12:28:31 -102.406084 0.027519 BFGS: 7901 12:28:32 -102.403878 0.136235 BFGS: 7902 12:28:32 -102.406014 0.043061 BFGS: 7903 12:28:32 -102.393844 0.107123 BFGS: 7904 12:28:32 -102.402757 0.028333 BFGS: 7905 12:28:32 -102.405045 0.053600 BFGS: 7906 12:28:32 -102.405960 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0.053600 BFGS: 8053 12:28:49 -102.405961 0.026135 BFGS: 8054 12:28:49 -102.397635 0.026190 BFGS: 8055 12:28:49 -102.404028 0.120573 BFGS: 8056 12:28:49 -102.406028 0.042732 BFGS: 8057 12:28:49 -102.393837 0.107912 BFGS: 8058 12:28:50 -102.397262 0.015311 BFGS: 8059 12:28:50 -102.405072 0.053561 BFGS: 8060 12:28:50 -102.405958 0.026372 BFGS: 8061 12:28:50 -102.406082 0.027393 BFGS: 8062 12:28:50 -102.400919 0.146542 BFGS: 8063 12:28:50 -102.406020 0.042998 BFGS: 8064 12:28:51 -102.393843 0.106680 BFGS: 8065 12:28:51 -102.402756 0.028092 BFGS: 8066 12:28:51 -102.405050 0.053602 BFGS: 8067 12:28:51 -102.405960 0.026250 BFGS: 8068 12:28:51 -102.406084 0.027570 BFGS: 8069 12:28:51 -102.403878 0.136370 BFGS: 8070 12:28:52 -102.406014 0.043060 BFGS: 8071 12:28:52 -102.393842 0.107237 BFGS: 8072 12:28:52 -102.402756 0.028223 BFGS: 8073 12:28:52 -102.405044 0.053595 BFGS: 8074 12:28:52 -102.405960 0.026107 BFGS: 8075 12:28:52 -102.397634 0.026193 BFGS: 8076 12:28:53 -102.404029 0.120499 BFGS: 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-102.405061 0.053548 BFGS: 8102 12:28:57 -102.405960 0.026357 BFGS: 8103 12:28:57 -102.406084 0.027198 BFGS: 8104 12:28:57 -102.403878 0.135875 BFGS: 8105 12:28:57 -102.406017 0.042999 BFGS: 8106 12:28:58 -102.393844 0.107029 BFGS: 8107 12:28:58 -102.405713 0.028649 BFGS: 8108 12:28:58 -102.405058 0.053596 BFGS: 8109 12:28:58 -102.405959 0.026181 BFGS: 8110 12:28:58 -102.406083 0.028428 BFGS: 8111 12:28:58 -102.400921 0.146619 BFGS: 8112 12:28:59 -102.406017 0.043043 BFGS: 8113 12:28:59 -102.393842 0.107298 BFGS: 8114 12:28:59 -102.402755 0.028332 BFGS: 8115 12:28:59 -102.405046 0.053621 BFGS: 8116 12:28:59 -102.405960 0.026042 BFGS: 8117 12:29:00 -102.397634 0.026195 BFGS: 8118 12:29:00 -102.404030 0.120392 BFGS: 8119 12:29:00 -102.406029 0.042727 BFGS: 8120 12:29:00 -102.393835 0.108009 BFGS: 8121 12:29:00 -102.394305 0.021691 BFGS: 8122 12:29:01 -102.405062 0.053543 BFGS: 8123 12:29:01 -102.405959 0.026332 BFGS: 8124 12:29:01 -102.406083 0.027270 BFGS: 8125 12:29:01 -102.403879 0.135854 BFGS: 8126 12:29:01 -102.406017 0.042997 BFGS: 8127 12:29:02 -102.393843 0.106958 BFGS: 8128 12:29:02 -102.402756 0.028187 BFGS: 8129 12:29:02 -102.405048 0.053574 BFGS: 8130 12:29:02 -102.405960 0.026177 BFGS: 8131 12:29:02 -102.397635 0.026241 BFGS: 8132 12:29:02 -102.404030 0.120167 BFGS: 8133 12:29:03 -102.406029 0.042714 BFGS: 8134 12:29:03 -102.393836 0.107681 BFGS: 8135 12:29:03 -102.397262 0.015220 BFGS: 8136 12:29:03 -102.405074 0.053524 BFGS: 8137 12:29:03 -102.405958 0.026421 BFGS: 8138 12:29:03 -102.406082 0.027205 BFGS: 8139 12:29:04 -102.403879 0.135544 BFGS: 8140 12:29:04 -102.406019 0.042999 BFGS: 8141 12:29:04 -102.393844 0.106690 BFGS: 8142 12:29:04 -102.402757 0.028170 BFGS: 8143 12:29:04 -102.405050 0.053590 BFGS: 8144 12:29:05 -102.405960 0.026287 BFGS: 8145 12:29:05 -102.406084 0.027517 BFGS: 8146 12:29:05 -102.403878 0.136181 BFGS: 8147 12:29:05 -102.406014 0.043062 BFGS: 8148 12:29:05 -102.393844 0.107117 BFGS: 8149 12:29:05 -102.402757 0.028328 BFGS: 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0.027261 BFGS: 8199 12:29:12 -102.405045 0.053599 BFGS: 8200 12:29:12 -102.405961 0.026044 BFGS: 8201 12:29:12 -102.397635 0.026192 BFGS: 8202 12:29:12 -102.404029 0.120454 BFGS: 8203 12:29:13 -102.406028 0.042738 BFGS: 8204 12:29:13 -102.393837 0.107532 BFGS: 8205 12:29:13 -102.397262 0.015262 BFGS: 8206 12:29:13 -102.405074 0.053555 BFGS: 8207 12:29:13 -102.405958 0.026295 BFGS: 8208 12:29:13 -102.406082 0.027418 BFGS: 8209 12:29:13 -102.400920 0.146344 BFGS: 8210 12:29:13 -102.406020 0.043000 BFGS: 8211 12:29:13 -102.393843 0.106382 BFGS: 8212 12:29:13 -102.402756 0.027383 BFGS: 8213 12:29:14 -102.405050 0.053602 BFGS: 8214 12:29:14 -102.405960 0.026183 BFGS: 8215 12:29:14 -102.406084 0.027685 BFGS: 8216 12:29:14 -102.403879 0.136234 BFGS: 8217 12:29:14 -102.406014 0.043063 BFGS: 8218 12:29:15 -102.393843 0.106976 BFGS: 8219 12:29:15 -102.402756 0.027627 BFGS: 8220 12:29:15 -102.405044 0.053595 BFGS: 8221 12:29:15 -102.405960 0.026047 BFGS: 8222 12:29:15 -102.397634 0.026165 BFGS: 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0.108076 BFGS: 8345 12:29:30 -102.394305 0.021729 BFGS: 8346 12:29:30 -102.405061 0.053548 BFGS: 8347 12:29:30 -102.405960 0.026357 BFGS: 8348 12:29:30 -102.406083 0.027196 BFGS: 8349 12:29:30 -102.403878 0.135836 BFGS: 8350 12:29:30 -102.406017 0.043000 BFGS: 8351 12:29:30 -102.393844 0.107007 BFGS: 8352 12:29:30 -102.405713 0.028634 BFGS: 8353 12:29:31 -102.405058 0.053595 BFGS: 8354 12:29:31 -102.405959 0.026183 BFGS: 8355 12:29:31 -102.406083 0.028374 BFGS: 8356 12:29:31 -102.400921 0.146598 BFGS: 8357 12:29:31 -102.406017 0.043045 BFGS: 8358 12:29:31 -102.393842 0.107271 BFGS: 8359 12:29:31 -102.402756 0.028319 BFGS: 8360 12:29:31 -102.405045 0.053620 BFGS: 8361 12:29:31 -102.405960 0.026049 BFGS: 8362 12:29:31 -102.397634 0.026193 BFGS: 8363 12:29:31 -102.404030 0.120352 BFGS: 8364 12:29:31 -102.406028 0.042728 BFGS: 8365 12:29:32 -102.393835 0.107992 BFGS: 8366 12:29:32 -102.402753 0.022369 BFGS: 8367 12:29:32 -102.405051 0.053565 BFGS: 8368 12:29:32 -102.405959 0.026086 BFGS: 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-102.393837 0.107498 BFGS: 8394 12:29:34 -102.394305 0.021647 BFGS: 8395 12:29:34 -102.405063 0.053542 BFGS: 8396 12:29:34 -102.405960 0.026324 BFGS: 8397 12:29:34 -102.406084 0.027011 BFGS: 8398 12:29:34 -102.403879 0.135871 BFGS: 8399 12:29:34 -102.406017 0.043003 BFGS: 8400 12:29:34 -102.393845 0.106571 BFGS: 8401 12:29:34 -102.405713 0.027708 BFGS: 8402 12:29:35 -102.405059 0.053598 BFGS: 8403 12:29:35 -102.405959 0.026172 BFGS: 8404 12:29:35 -102.406083 0.027816 BFGS: 8405 12:29:35 -102.400920 0.146838 BFGS: 8406 12:29:35 -102.406016 0.043056 BFGS: 8407 12:29:35 -102.393843 0.106823 BFGS: 8408 12:29:35 -102.402756 0.027741 BFGS: 8409 12:29:35 -102.405046 0.053618 BFGS: 8410 12:29:35 -102.405960 0.026046 BFGS: 8411 12:29:35 -102.397634 0.026081 BFGS: 8412 12:29:35 -102.404029 0.120643 BFGS: 8413 12:29:35 -102.406028 0.042740 BFGS: 8414 12:29:36 -102.393836 0.107706 BFGS: 8415 12:29:36 -102.394305 0.021689 BFGS: 8416 12:29:36 -102.405062 0.053540 BFGS: 8417 12:29:36 -102.405960 0.026326 BFGS: 8418 12:29:36 -102.406084 0.027042 BFGS: 8419 12:29:36 -102.403879 0.135979 BFGS: 8420 12:29:36 -102.406017 0.043001 BFGS: 8421 12:29:36 -102.393843 0.106738 BFGS: 8422 12:29:36 -102.402757 0.027566 BFGS: 8423 12:29:36 -102.405048 0.053573 BFGS: 8424 12:29:36 -102.405961 0.026190 BFGS: 8425 12:29:36 -102.406085 0.027928 BFGS: 8426 12:29:36 -102.403881 0.136150 BFGS: 8427 12:29:37 -102.406014 0.043042 BFGS: 8428 12:29:37 -102.393842 0.107295 BFGS: 8429 12:29:37 -102.405713 0.028175 BFGS: 8430 12:29:37 -102.405054 0.053580 BFGS: 8431 12:29:37 -102.405959 0.026046 BFGS: 8432 12:29:37 -102.397633 0.026073 BFGS: 8433 12:29:37 -102.404028 0.120536 BFGS: 8434 12:29:37 -102.406030 0.042718 BFGS: 8435 12:29:37 -102.393836 0.107937 BFGS: 8436 12:29:37 -102.394305 0.021714 BFGS: 8437 12:29:37 -102.405063 0.053555 BFGS: 8438 12:29:37 -102.405959 0.026320 BFGS: 8439 12:29:38 -102.406083 0.027111 BFGS: 8440 12:29:38 -102.403878 0.136091 BFGS: 8441 12:29:38 -102.406017 0.043008 BFGS: 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0.053540 BFGS: 8564 12:29:48 -102.405959 0.026284 BFGS: 8565 12:29:48 -102.406083 0.027143 BFGS: 8566 12:29:49 -102.403879 0.136347 BFGS: 8567 12:29:49 -102.406017 0.042996 BFGS: 8568 12:29:49 -102.393843 0.106525 BFGS: 8569 12:29:49 -102.402756 0.027675 BFGS: 8570 12:29:49 -102.405048 0.053573 BFGS: 8571 12:29:50 -102.405961 0.026143 BFGS: 8572 12:29:50 -102.397635 0.026092 BFGS: 8573 12:29:50 -102.404030 0.120709 BFGS: 8574 12:29:50 -102.406029 0.042717 BFGS: 8575 12:29:50 -102.393837 0.107230 BFGS: 8576 12:29:51 -102.397262 0.015173 BFGS: 8577 12:29:51 -102.405074 0.053520 BFGS: 8578 12:29:51 -102.405959 0.026381 BFGS: 8579 12:29:51 -102.406082 0.027063 BFGS: 8580 12:29:51 -102.403879 0.135948 BFGS: 8581 12:29:52 -102.406019 0.042999 BFGS: 8582 12:29:52 -102.393844 0.106310 BFGS: 8583 12:29:52 -102.402757 0.027698 BFGS: 8584 12:29:52 -102.405050 0.053591 BFGS: 8585 12:29:52 -102.405960 0.026258 BFGS: 8586 12:29:52 -102.406084 0.027325 BFGS: 8587 12:29:52 -102.403878 0.136719 BFGS: 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-102.405044 0.053593 BFGS: 8613 12:29:56 -102.405960 0.026099 BFGS: 8614 12:29:56 -102.397634 0.026098 BFGS: 8615 12:29:56 -102.404030 0.120807 BFGS: 8616 12:29:56 -102.406028 0.042725 BFGS: 8617 12:29:57 -102.393836 0.107697 BFGS: 8618 12:29:57 -102.394305 0.021659 BFGS: 8619 12:29:57 -102.405062 0.053533 BFGS: 8620 12:29:57 -102.405960 0.026364 BFGS: 8621 12:29:57 -102.406084 0.027012 BFGS: 8622 12:29:57 -102.403879 0.136176 BFGS: 8623 12:29:57 -102.406017 0.042991 BFGS: 8624 12:29:57 -102.393843 0.106683 BFGS: 8625 12:29:57 -102.405713 0.028457 BFGS: 8626 12:29:57 -102.405058 0.053561 BFGS: 8627 12:29:57 -102.405959 0.026214 BFGS: 8628 12:29:57 -102.406083 0.027832 BFGS: 8629 12:29:57 -102.403879 0.136481 BFGS: 8630 12:29:57 -102.406016 0.043043 BFGS: 8631 12:29:58 -102.393843 0.107156 BFGS: 8632 12:29:58 -102.402756 0.028181 BFGS: 8633 12:29:58 -102.405044 0.053605 BFGS: 8634 12:29:58 -102.405960 0.026074 BFGS: 8635 12:29:58 -102.397634 0.026112 BFGS: 8636 12:29:58 -102.404029 0.120753 BFGS: 8637 12:29:58 -102.406028 0.042729 BFGS: 8638 12:29:58 -102.393836 0.107789 BFGS: 8639 12:29:58 -102.394305 0.021664 BFGS: 8640 12:29:58 -102.405062 0.053546 BFGS: 8641 12:29:58 -102.405960 0.026343 BFGS: 8642 12:29:58 -102.406084 0.027121 BFGS: 8643 12:29:58 -102.403878 0.136192 BFGS: 8644 12:29:59 -102.406017 0.042998 BFGS: 8645 12:29:59 -102.393844 0.106733 BFGS: 8646 12:29:59 -102.405713 0.028547 BFGS: 8647 12:29:59 -102.405058 0.053592 BFGS: 8648 12:29:59 -102.405959 0.026174 BFGS: 8649 12:29:59 -102.406083 0.028316 BFGS: 8650 12:29:59 -102.400922 0.146951 BFGS: 8651 12:29:59 -102.406017 0.043044 BFGS: 8652 12:29:59 -102.393842 0.107007 BFGS: 8653 12:29:59 -102.402756 0.028236 BFGS: 8654 12:29:59 -102.405045 0.053619 BFGS: 8655 12:29:59 -102.405960 0.026044 BFGS: 8656 12:29:59 -102.397634 0.026102 BFGS: 8657 12:29:59 -102.404030 0.120681 BFGS: 8658 12:30:00 -102.406028 0.042727 BFGS: 8659 12:30:00 -102.393835 0.107720 BFGS: 8660 12:30:00 -102.394305 0.021634 BFGS: 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-102.403878 0.136470 BFGS: 8686 12:30:02 -102.406014 0.043062 BFGS: 8687 12:30:02 -102.393844 0.106867 BFGS: 8688 12:30:02 -102.402757 0.028248 BFGS: 8689 12:30:02 -102.405044 0.053597 BFGS: 8690 12:30:02 -102.405960 0.026141 BFGS: 8691 12:30:02 -102.397634 0.026160 BFGS: 8692 12:30:02 -102.404030 0.120581 BFGS: 8693 12:30:02 -102.406028 0.042728 BFGS: 8694 12:30:02 -102.393837 0.107698 BFGS: 8695 12:30:02 -102.397262 0.015252 BFGS: 8696 12:30:02 -102.405072 0.053554 BFGS: 8697 12:30:02 -102.405958 0.026366 BFGS: 8698 12:30:03 -102.406082 0.027374 BFGS: 8699 12:30:03 -102.400920 0.146615 BFGS: 8700 12:30:03 -102.406020 0.042998 BFGS: 8701 12:30:03 -102.393843 0.106434 BFGS: 8702 12:30:03 -102.402756 0.028250 BFGS: 8703 12:30:03 -102.405050 0.053599 BFGS: 8704 12:30:03 -102.405960 0.026245 BFGS: 8705 12:30:03 -102.406084 0.027695 BFGS: 8706 12:30:03 -102.403879 0.136428 BFGS: 8707 12:30:03 -102.406014 0.043059 BFGS: 8708 12:30:03 -102.393842 0.107035 BFGS: 8709 12:30:03 -102.402756 0.028334 BFGS: 8710 12:30:03 -102.405044 0.053593 BFGS: 8711 12:30:03 -102.405960 0.026111 BFGS: 8712 12:30:03 -102.397634 0.026163 BFGS: 8713 12:30:04 -102.404030 0.120523 BFGS: 8714 12:30:04 -102.406028 0.042722 BFGS: 8715 12:30:04 -102.393835 0.107797 BFGS: 8716 12:30:04 -102.402754 0.025032 BFGS: 8717 12:30:04 -102.405054 0.053544 BFGS: 8718 12:30:04 -102.405959 0.026076 BFGS: 8719 12:30:04 -102.397634 0.026154 BFGS: 8720 12:30:04 -102.404030 0.120314 BFGS: 8721 12:30:04 -102.406031 0.042672 BFGS: 8722 12:30:04 -102.393836 0.107101 BFGS: 8723 12:30:04 -102.397261 0.015125 BFGS: 8724 12:30:04 -102.405077 0.053505 BFGS: 8725 12:30:04 -102.405958 0.026293 BFGS: 8726 12:30:04 -102.406082 0.027184 BFGS: 8727 12:30:05 -102.403880 0.135567 BFGS: 8728 12:30:05 -102.406020 0.042989 BFGS: 8729 12:30:05 -102.393844 0.106065 BFGS: 8730 12:30:05 -102.402757 0.026636 BFGS: 8731 12:30:05 -102.405050 0.053586 BFGS: 8732 12:30:05 -102.405961 0.026188 BFGS: 8733 12:30:05 -102.406084 0.027503 BFGS: 8734 12:30:05 -102.403879 0.136233 BFGS: 8735 12:30:05 -102.406014 0.043066 BFGS: 8736 12:30:05 -102.393844 0.106488 BFGS: 8737 12:30:05 -102.402757 0.027235 BFGS: 8738 12:30:05 -102.405045 0.053597 BFGS: 8739 12:30:05 -102.405961 0.026058 BFGS: 8740 12:30:06 -102.397635 0.026114 BFGS: 8741 12:30:06 -102.404029 0.120627 BFGS: 8742 12:30:06 -102.406028 0.042738 BFGS: 8743 12:30:06 -102.393837 0.107317 BFGS: 8744 12:30:06 -102.397262 0.015238 BFGS: 8745 12:30:06 -102.405073 0.053551 BFGS: 8746 12:30:06 -102.405958 0.026295 BFGS: 8747 12:30:06 -102.406082 0.027330 BFGS: 8748 12:30:06 -102.400921 0.146517 BFGS: 8749 12:30:06 -102.406020 0.043001 BFGS: 8750 12:30:06 -102.393844 0.106162 BFGS: 8751 12:30:06 -102.402756 0.027353 BFGS: 8752 12:30:06 -102.405050 0.053600 BFGS: 8753 12:30:06 -102.405960 0.026187 BFGS: 8754 12:30:06 -102.406084 0.027578 BFGS: 8755 12:30:07 -102.403879 0.136420 BFGS: 8756 12:30:07 -102.406014 0.043064 BFGS: 8757 12:30:07 -102.393843 0.106769 BFGS: 8758 12:30:07 -102.402756 0.027602 BFGS: 8759 12:30:07 -102.405044 0.053594 BFGS: 8760 12:30:07 -102.405960 0.026060 BFGS: 8761 12:30:07 -102.397634 0.026093 BFGS: 8762 12:30:07 -102.404029 0.120707 BFGS: 8763 12:30:07 -102.406028 0.042731 BFGS: 8764 12:30:07 -102.393836 0.107558 BFGS: 8765 12:30:07 -102.394305 0.021648 BFGS: 8766 12:30:07 -102.405062 0.053532 BFGS: 8767 12:30:07 -102.405960 0.026327 BFGS: 8768 12:30:07 -102.406084 0.027010 BFGS: 8769 12:30:08 -102.403879 0.135995 BFGS: 8770 12:30:08 -102.406017 0.042993 BFGS: 8771 12:30:08 -102.393844 0.106600 BFGS: 8772 12:30:08 -102.405713 0.027940 BFGS: 8773 12:30:08 -102.405058 0.053561 BFGS: 8774 12:30:08 -102.405959 0.026187 BFGS: 8775 12:30:08 -102.406083 0.027758 BFGS: 8776 12:30:08 -102.403879 0.136348 BFGS: 8777 12:30:08 -102.406016 0.043048 BFGS: 8778 12:30:08 -102.393843 0.107079 BFGS: 8779 12:30:08 -102.402756 0.027793 BFGS: 8780 12:30:08 -102.405044 0.053606 BFGS: 8781 12:30:08 -102.405960 0.026054 BFGS: 8782 12:30:08 -102.397634 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-102.406084 0.027324 BFGS: 8832 12:30:12 -102.403878 0.136296 BFGS: 8833 12:30:12 -102.406014 0.043063 BFGS: 8834 12:30:12 -102.393843 0.106809 BFGS: 8835 12:30:12 -102.402756 0.028053 BFGS: 8836 12:30:12 -102.405044 0.053590 BFGS: 8837 12:30:12 -102.405960 0.026143 BFGS: 8838 12:30:12 -102.397635 0.026133 BFGS: 8839 12:30:13 -102.404030 0.120493 BFGS: 8840 12:30:13 -102.406028 0.042730 BFGS: 8841 12:30:13 -102.393836 0.107705 BFGS: 8842 12:30:13 -102.394305 0.021690 BFGS: 8843 12:30:13 -102.405062 0.053532 BFGS: 8844 12:30:13 -102.405960 0.026396 BFGS: 8845 12:30:13 -102.406084 0.026962 BFGS: 8846 12:30:13 -102.403879 0.135816 BFGS: 8847 12:30:13 -102.406017 0.042993 BFGS: 8848 12:30:13 -102.393843 0.106726 BFGS: 8849 12:30:13 -102.405713 0.028407 BFGS: 8850 12:30:13 -102.405057 0.053557 BFGS: 8851 12:30:13 -102.405959 0.026254 BFGS: 8852 12:30:13 -102.406083 0.027584 BFGS: 8853 12:30:14 -102.403878 0.136243 BFGS: 8854 12:30:14 -102.406016 0.043042 BFGS: 8855 12:30:14 -102.393843 0.107185 BFGS: 8856 12:30:14 -102.402756 0.028177 BFGS: 8857 12:30:14 -102.405044 0.053602 BFGS: 8858 12:30:14 -102.405960 0.026118 BFGS: 8859 12:30:14 -102.397634 0.026152 BFGS: 8860 12:30:14 -102.404029 0.120489 BFGS: 8861 12:30:14 -102.406028 0.042732 BFGS: 8862 12:30:14 -102.393836 0.107904 BFGS: 8863 12:30:14 -102.394305 0.021716 BFGS: 8864 12:30:14 -102.405061 0.053545 BFGS: 8865 12:30:14 -102.405960 0.026375 BFGS: 8866 12:30:14 -102.406084 0.027080 BFGS: 8867 12:30:14 -102.403878 0.135881 BFGS: 8868 12:30:15 -102.406017 0.043000 BFGS: 8869 12:30:15 -102.393844 0.106859 BFGS: 8870 12:30:15 -102.405713 0.028549 BFGS: 8871 12:30:15 -102.405057 0.053584 BFGS: 8872 12:30:15 -102.405959 0.026214 BFGS: 8873 12:30:15 -102.406083 0.027935 BFGS: 8874 12:30:15 -102.400920 0.146727 BFGS: 8875 12:30:15 -102.406016 0.043048 BFGS: 8876 12:30:15 -102.393842 0.107068 BFGS: 8877 12:30:15 -102.402756 0.028289 BFGS: 8878 12:30:15 -102.405045 0.053618 BFGS: 8879 12:30:15 -102.405960 0.026083 BFGS: 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-102.393844 0.106656 BFGS: 8905 12:30:17 -102.402757 0.027252 BFGS: 8906 12:30:17 -102.405045 0.053605 BFGS: 8907 12:30:17 -102.405960 0.026064 BFGS: 8908 12:30:17 -102.397634 0.026087 BFGS: 8909 12:30:18 -102.404029 0.120520 BFGS: 8910 12:30:18 -102.406028 0.042746 BFGS: 8911 12:30:18 -102.393837 0.107434 BFGS: 8912 12:30:18 -102.394305 0.021644 BFGS: 8913 12:30:18 -102.405063 0.053542 BFGS: 8914 12:30:18 -102.405960 0.026324 BFGS: 8915 12:30:18 -102.406084 0.026994 BFGS: 8916 12:30:18 -102.403879 0.135801 BFGS: 8917 12:30:18 -102.406017 0.043005 BFGS: 8918 12:30:18 -102.393845 0.106509 BFGS: 8919 12:30:18 -102.405713 0.027615 BFGS: 8920 12:30:18 -102.405058 0.053595 BFGS: 8921 12:30:18 -102.405959 0.026180 BFGS: 8922 12:30:18 -102.406083 0.027740 BFGS: 8923 12:30:19 -102.400920 0.146793 BFGS: 8924 12:30:19 -102.406016 0.043059 BFGS: 8925 12:30:19 -102.393843 0.106755 BFGS: 8926 12:30:19 -102.402756 0.027674 BFGS: 8927 12:30:19 -102.405045 0.053617 BFGS: 8928 12:30:19 -102.405960 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-102.405959 0.026308 BFGS: 8978 12:30:22 -102.406083 0.027135 BFGS: 8979 12:30:22 -102.403879 0.136010 BFGS: 8980 12:30:23 -102.406017 0.043011 BFGS: 8981 12:30:23 -102.393843 0.106729 BFGS: 8982 12:30:23 -102.402756 0.027776 BFGS: 8983 12:30:23 -102.405047 0.053580 BFGS: 8984 12:30:23 -102.405960 0.026182 BFGS: 8985 12:30:23 -102.406084 0.028247 BFGS: 8986 12:30:23 -102.403882 0.136141 BFGS: 8987 12:30:23 -102.406014 0.043046 BFGS: 8988 12:30:23 -102.393842 0.107326 BFGS: 8989 12:30:23 -102.402756 0.027812 BFGS: 8990 12:30:23 -102.405043 0.053592 BFGS: 8991 12:30:23 -102.405960 0.026049 BFGS: 8992 12:30:23 -102.397634 0.026133 BFGS: 8993 12:30:23 -102.404030 0.120518 BFGS: 8994 12:30:24 -102.406028 0.042717 BFGS: 8995 12:30:24 -102.393836 0.107885 BFGS: 8996 12:30:24 -102.397261 0.015276 BFGS: 8997 12:30:24 -102.405071 0.053525 BFGS: 8998 12:30:24 -102.405958 0.026299 BFGS: 8999 12:30:24 -102.406082 0.027288 BFGS: 9000 12:30:24 -102.403879 0.135850 BFGS: 9001 12:30:24 -102.406019 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-102.406016 0.043041 BFGS: 9051 12:30:28 -102.393842 0.107152 BFGS: 9052 12:30:28 -102.402756 0.027763 BFGS: 9053 12:30:28 -102.405044 0.053608 BFGS: 9054 12:30:28 -102.405960 0.026023 BFGS: 9055 12:30:28 -102.397634 0.026082 BFGS: 9056 12:30:28 -102.404029 0.120777 BFGS: 9057 12:30:28 -102.406028 0.042730 BFGS: 9058 12:30:28 -102.393836 0.107644 BFGS: 9059 12:30:28 -102.394305 0.021641 BFGS: 9060 12:30:28 -102.405062 0.053546 BFGS: 9061 12:30:28 -102.405960 0.026289 BFGS: 9062 12:30:28 -102.406084 0.027160 BFGS: 9063 12:30:28 -102.403879 0.136145 BFGS: 9064 12:30:29 -102.406017 0.042999 BFGS: 9065 12:30:29 -102.393844 0.106610 BFGS: 9066 12:30:29 -102.405713 0.028125 BFGS: 9067 12:30:29 -102.405057 0.053593 BFGS: 9068 12:30:29 -102.405959 0.026131 BFGS: 9069 12:30:29 -102.406083 0.028584 BFGS: 9070 12:30:29 -102.400923 0.146880 BFGS: 9071 12:30:29 -102.406017 0.043044 BFGS: 9072 12:30:29 -102.393842 0.106924 BFGS: 9073 12:30:29 -102.402755 0.027831 BFGS: 9074 12:30:29 -102.405045 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-102.405057 0.053555 BFGS: 9124 12:30:33 -102.405959 0.026236 BFGS: 9125 12:30:33 -102.406083 0.027602 BFGS: 9126 12:30:33 -102.403878 0.136392 BFGS: 9127 12:30:33 -102.406016 0.043042 BFGS: 9128 12:30:33 -102.393843 0.107017 BFGS: 9129 12:30:33 -102.402756 0.028083 BFGS: 9130 12:30:33 -102.405044 0.053602 BFGS: 9131 12:30:33 -102.405960 0.026103 BFGS: 9132 12:30:33 -102.397634 0.026112 BFGS: 9133 12:30:33 -102.404029 0.120643 BFGS: 9134 12:30:33 -102.406028 0.042732 BFGS: 9135 12:30:33 -102.393836 0.107721 BFGS: 9136 12:30:34 -102.394305 0.021666 BFGS: 9137 12:30:34 -102.405061 0.053544 BFGS: 9138 12:30:34 -102.405960 0.026357 BFGS: 9139 12:30:34 -102.406084 0.027066 BFGS: 9140 12:30:34 -102.403879 0.136039 BFGS: 9141 12:30:34 -102.406017 0.043000 BFGS: 9142 12:30:34 -102.393844 0.106685 BFGS: 9143 12:30:34 -102.405713 0.028454 BFGS: 9144 12:30:34 -102.405057 0.053582 BFGS: 9145 12:30:34 -102.405959 0.026200 BFGS: 9146 12:30:34 -102.406083 0.027942 BFGS: 9147 12:30:34 -102.400920 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-102.400920 0.146447 BFGS: 9197 12:30:38 -102.406019 0.043001 BFGS: 9198 12:30:38 -102.393843 0.106467 BFGS: 9199 12:30:38 -102.402756 0.028225 BFGS: 9200 12:30:38 -102.405049 0.053599 BFGS: 9201 12:30:38 -102.405960 0.026262 BFGS: 9202 12:30:38 -102.406084 0.027580 BFGS: 9203 12:30:38 -102.403878 0.136304 BFGS: 9204 12:30:38 -102.406014 0.043062 BFGS: 9205 12:30:38 -102.393843 0.107056 BFGS: 9206 12:30:38 -102.402756 0.028323 BFGS: 9207 12:30:38 -102.405043 0.053594 BFGS: 9208 12:30:39 -102.405960 0.026135 BFGS: 9209 12:30:39 -102.397634 0.026171 BFGS: 9210 12:30:39 -102.404030 0.120388 BFGS: 9211 12:30:39 -102.406028 0.042725 BFGS: 9212 12:30:39 -102.393836 0.107848 BFGS: 9213 12:30:39 -102.402754 0.025475 BFGS: 9214 12:30:39 -102.405053 0.053542 BFGS: 9215 12:30:39 -102.405959 0.026095 BFGS: 9216 12:30:39 -102.397634 0.026170 BFGS: 9217 12:30:39 -102.404030 0.120148 BFGS: 9218 12:30:39 -102.406031 0.042672 BFGS: 9219 12:30:39 -102.393836 0.107165 BFGS: 9220 12:30:39 -102.397261 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-102.393843 0.106448 BFGS: 9416 12:30:53 -102.405713 0.028036 BFGS: 9417 12:30:53 -102.405057 0.053561 BFGS: 9418 12:30:53 -102.405959 0.026153 BFGS: 9419 12:30:53 -102.406083 0.028277 BFGS: 9420 12:30:53 -102.403881 0.136383 BFGS: 9421 12:30:53 -102.406016 0.043042 BFGS: 9422 12:30:53 -102.393842 0.106983 BFGS: 9423 12:30:53 -102.402756 0.027739 BFGS: 9424 12:30:54 -102.405044 0.053608 BFGS: 9425 12:30:54 -102.405960 0.026028 BFGS: 9426 12:30:54 -102.397634 0.026064 BFGS: 9427 12:30:54 -102.404030 0.120885 BFGS: 9428 12:30:54 -102.406029 0.042729 BFGS: 9429 12:30:54 -102.393837 0.107475 BFGS: 9430 12:30:54 -102.394305 0.021583 BFGS: 9431 12:30:54 -102.405062 0.053545 BFGS: 9432 12:30:54 -102.405960 0.026286 BFGS: 9433 12:30:54 -102.406084 0.027154 BFGS: 9434 12:30:54 -102.403879 0.136264 BFGS: 9435 12:30:54 -102.406017 0.042999 BFGS: 9436 12:30:54 -102.393844 0.106442 BFGS: 9437 12:30:54 -102.405713 0.028109 BFGS: 9438 12:30:54 -102.405057 0.053592 BFGS: 9439 12:30:55 -102.405959 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-102.406015 0.043043 BFGS: 9562 12:31:03 -102.393842 0.107052 BFGS: 9563 12:31:03 -102.405712 0.028352 BFGS: 9564 12:31:03 -102.405053 0.053607 BFGS: 9565 12:31:03 -102.405959 0.026046 BFGS: 9566 12:31:03 -102.397633 0.025959 BFGS: 9567 12:31:03 -102.401071 0.131272 BFGS: 9568 12:31:03 -102.406031 0.042716 BFGS: 9569 12:31:04 -102.393836 0.107257 BFGS: 9570 12:31:04 -102.394305 0.021487 BFGS: 9571 12:31:04 -102.405063 0.053565 BFGS: 9572 12:31:04 -102.405959 0.026302 BFGS: 9573 12:31:04 -102.406083 0.027173 BFGS: 9574 12:31:04 -102.403879 0.136264 BFGS: 9575 12:31:04 -102.406017 0.043009 BFGS: 9576 12:31:04 -102.393843 0.106276 BFGS: 9577 12:31:04 -102.402756 0.027888 BFGS: 9578 12:31:04 -102.405047 0.053578 BFGS: 9579 12:31:04 -102.405960 0.026179 BFGS: 9580 12:31:04 -102.406084 0.028963 BFGS: 9581 12:31:04 -102.403885 0.136238 BFGS: 9582 12:31:04 -102.406015 0.043040 BFGS: 9583 12:31:04 -102.393841 0.106994 BFGS: 9584 12:31:05 -102.402756 0.027796 BFGS: 9585 12:31:05 -102.405043 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-102.404031 0.120874 BFGS: 9708 12:31:13 -102.406029 0.042728 BFGS: 9709 12:31:13 -102.393836 0.107152 BFGS: 9710 12:31:13 -102.394305 0.021512 BFGS: 9711 12:31:13 -102.405062 0.053529 BFGS: 9712 12:31:13 -102.405960 0.026370 BFGS: 9713 12:31:13 -102.406084 0.026935 BFGS: 9714 12:31:13 -102.403879 0.136253 BFGS: 9715 12:31:14 -102.406018 0.042992 BFGS: 9716 12:31:14 -102.393844 0.106183 BFGS: 9717 12:31:14 -102.405713 0.028333 BFGS: 9718 12:31:14 -102.405057 0.053552 BFGS: 9719 12:31:14 -102.405959 0.026236 BFGS: 9720 12:31:14 -102.406083 0.027578 BFGS: 9721 12:31:14 -102.403878 0.136704 BFGS: 9722 12:31:14 -102.406016 0.043041 BFGS: 9723 12:31:14 -102.393843 0.106671 BFGS: 9724 12:31:14 -102.402756 0.028092 BFGS: 9725 12:31:14 -102.405044 0.053600 BFGS: 9726 12:31:14 -102.405960 0.026110 BFGS: 9727 12:31:14 -102.397634 0.026067 BFGS: 9728 12:31:14 -102.404030 0.120901 BFGS: 9729 12:31:15 -102.406028 0.042731 BFGS: 9730 12:31:15 -102.393837 0.107382 BFGS: 9731 12:31:15 -102.394305 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-102.394306 0.021499 BFGS: 9781 12:31:18 -102.405063 0.053539 BFGS: 9782 12:31:18 -102.405960 0.026312 BFGS: 9783 12:31:18 -102.406084 0.026941 BFGS: 9784 12:31:18 -102.403880 0.136199 BFGS: 9785 12:31:18 -102.406018 0.043004 BFGS: 9786 12:31:18 -102.393845 0.106028 BFGS: 9787 12:31:19 -102.405714 0.027582 BFGS: 9788 12:31:19 -102.405058 0.053588 BFGS: 9789 12:31:19 -102.405959 0.026176 BFGS: 9790 12:31:19 -102.406083 0.027665 BFGS: 9791 12:31:19 -102.400920 0.147201 BFGS: 9792 12:31:19 -102.406016 0.043060 BFGS: 9793 12:31:19 -102.393844 0.106281 BFGS: 9794 12:31:19 -102.402756 0.027619 BFGS: 9795 12:31:19 -102.405045 0.053615 BFGS: 9796 12:31:19 -102.405960 0.026064 BFGS: 9797 12:31:19 -102.397634 0.025982 BFGS: 9798 12:31:19 -102.404030 0.120936 BFGS: 9799 12:31:19 -102.406028 0.042742 BFGS: 9800 12:31:19 -102.393836 0.107180 BFGS: 9801 12:31:19 -102.394305 0.021553 BFGS: 9802 12:31:20 -102.405062 0.053537 BFGS: 9803 12:31:20 -102.405960 0.026316 BFGS: 9804 12:31:20 -102.406084 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-102.406084 0.028113 BFGS: 9854 12:31:23 -102.403882 0.136513 BFGS: 9855 12:31:23 -102.406014 0.043047 BFGS: 9856 12:31:23 -102.393842 0.106921 BFGS: 9857 12:31:23 -102.402756 0.027788 BFGS: 9858 12:31:23 -102.405043 0.053590 BFGS: 9859 12:31:23 -102.405960 0.026061 BFGS: 9860 12:31:24 -102.397634 0.026050 BFGS: 9861 12:31:24 -102.404030 0.120824 BFGS: 9862 12:31:24 -102.406029 0.042716 BFGS: 9863 12:31:24 -102.393836 0.107508 BFGS: 9864 12:31:24 -102.397261 0.015206 BFGS: 9865 12:31:24 -102.405071 0.053521 BFGS: 9866 12:31:24 -102.405958 0.026294 BFGS: 9867 12:31:24 -102.406082 0.027222 BFGS: 9868 12:31:24 -102.403879 0.136193 BFGS: 9869 12:31:24 -102.406019 0.042995 BFGS: 9870 12:31:24 -102.393843 0.106477 BFGS: 9871 12:31:24 -102.402756 0.027766 BFGS: 9872 12:31:24 -102.405048 0.053590 BFGS: 9873 12:31:24 -102.405960 0.026173 BFGS: 9874 12:31:25 -102.406084 0.028412 BFGS: 9875 12:31:25 -102.403882 0.136503 BFGS: 9876 12:31:25 -102.406015 0.043051 BFGS: 9877 12:31:25 -102.393842 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9902 12:31:27 -102.397634 0.026017 BFGS: 9903 12:31:27 -102.404030 0.120946 BFGS: 9904 12:31:27 -102.406029 0.042718 BFGS: 9905 12:31:27 -102.393836 0.107358 BFGS: 9906 12:31:27 -102.394305 0.021578 BFGS: 9907 12:31:27 -102.405062 0.053533 BFGS: 9908 12:31:27 -102.405960 0.026291 BFGS: 9909 12:31:27 -102.406084 0.027077 BFGS: 9910 12:31:27 -102.403880 0.136268 BFGS: 9911 12:31:27 -102.406018 0.042990 BFGS: 9912 12:31:27 -102.393843 0.106319 BFGS: 9913 12:31:27 -102.405713 0.028085 BFGS: 9914 12:31:27 -102.405057 0.053559 BFGS: 9915 12:31:27 -102.405959 0.026156 BFGS: 9916 12:31:27 -102.406083 0.028254 BFGS: 9917 12:31:28 -102.403881 0.136498 BFGS: 9918 12:31:28 -102.406016 0.043042 BFGS: 9919 12:31:28 -102.393842 0.106866 BFGS: 9920 12:31:28 -102.402756 0.027765 BFGS: 9921 12:31:28 -102.405044 0.053607 BFGS: 9922 12:31:28 -102.405960 0.026036 BFGS: 9923 12:31:28 -102.397634 0.026010 BFGS: 9924 12:31:28 -102.404030 0.120986 BFGS: 9925 12:31:28 -102.406029 0.042729 BFGS: 9926 12:31:28 -102.393837 0.107354 BFGS: 9927 12:31:28 -102.394305 0.021568 BFGS: 9928 12:31:28 -102.405062 0.053544 BFGS: 9929 12:31:28 -102.405960 0.026284 BFGS: 9930 12:31:28 -102.406084 0.027119 BFGS: 9931 12:31:29 -102.403880 0.136370 BFGS: 9932 12:31:29 -102.406017 0.042999 BFGS: 9933 12:31:29 -102.393844 0.106314 BFGS: 9934 12:31:29 -102.405713 0.028140 BFGS: 9935 12:31:29 -102.405057 0.053589 BFGS: 9936 12:31:29 -102.405959 0.026135 BFGS: 9937 12:31:29 -102.406083 0.028541 BFGS: 9938 12:31:30 -102.400924 0.147100 BFGS: 9939 12:31:30 -102.406017 0.043046 BFGS: 9940 12:31:30 -102.393842 0.106637 BFGS: 9941 12:31:30 -102.402756 0.027821 BFGS: 9942 12:31:30 -102.405045 0.053619 BFGS: 9943 12:31:30 -102.405960 0.026023 BFGS: 9944 12:31:31 -102.397634 0.025985 BFGS: 9945 12:31:31 -102.404031 0.120979 BFGS: 9946 12:31:31 -102.406029 0.042729 BFGS: 9947 12:31:31 -102.393836 0.107259 BFGS: 9948 12:31:31 -102.394305 0.021539 BFGS: 9949 12:31:31 -102.405062 0.053539 BFGS: 9950 12:31:31 -102.405959 0.026277 BFGS: 9951 12:31:32 -102.406083 0.027128 BFGS: 9952 12:31:32 -102.403880 0.136374 BFGS: 9953 12:31:32 -102.406017 0.042998 BFGS: 9954 12:31:32 -102.393843 0.106242 BFGS: 9955 12:31:32 -102.402757 0.027680 BFGS: 9956 12:31:32 -102.405047 0.053571 BFGS: 9957 12:31:33 -102.405961 0.026151 BFGS: 9958 12:31:33 -102.397635 0.026030 BFGS: 9959 12:31:33 -102.404031 0.120698 BFGS: 9960 12:31:33 -102.406029 0.042718 BFGS: 9961 12:31:33 -102.393837 0.106941 BFGS: 9962 12:31:33 -102.397262 0.015148 BFGS: 9963 12:31:34 -102.405073 0.053516 BFGS: 9964 12:31:34 -102.405959 0.026363 BFGS: 9965 12:31:34 -102.406083 0.027041 BFGS: 9966 12:31:34 -102.400922 0.146603 BFGS: 9967 12:31:34 -102.406020 0.042984 BFGS: 9968 12:31:34 -102.393844 0.105693 BFGS: 9969 12:31:35 -102.402757 0.027757 BFGS: 9970 12:31:35 -102.405051 0.053591 BFGS: 9971 12:31:35 -102.405960 0.026243 BFGS: 9972 12:31:35 -102.406084 0.027324 BFGS: 9973 12:31:35 -102.403879 0.136606 BFGS: 9974 12:31:35 -102.406014 0.043063 BFGS: 9975 12:31:35 -102.393843 0.106350 BFGS: 9976 12:31:36 -102.402756 0.027933 BFGS: 9977 12:31:36 -102.405044 0.053588 BFGS: 9978 12:31:36 -102.405960 0.026128 BFGS: 9979 12:31:36 -102.397635 0.026033 BFGS: 9980 12:31:36 -102.404031 0.120782 BFGS: 9981 12:31:37 -102.406029 0.042729 BFGS: 9982 12:31:37 -102.393836 0.107234 BFGS: 9983 12:31:37 -102.394305 0.021568 BFGS: 9984 12:31:37 -102.405062 0.053530 BFGS: 9985 12:31:37 -102.405960 0.026364 BFGS: 9986 12:31:37 -102.406084 0.026920 BFGS: 9987 12:31:37 -102.403880 0.136138 BFGS: 9988 12:31:38 -102.406018 0.042993 BFGS: 9989 12:31:38 -102.393844 0.106262 BFGS: 9990 12:31:38 -102.405713 0.028294 BFGS: 9991 12:31:38 -102.405057 0.053552 BFGS: 9992 12:31:38 -102.405959 0.026233 BFGS: 9993 12:31:38 -102.406083 0.027559 BFGS: 9994 12:31:38 -102.403878 0.136600 BFGS: 9995 12:31:38 -102.406016 0.043042 BFGS: 9996 12:31:38 -102.393843 0.106754 BFGS: 9997 12:31:38 -102.402756 0.028054 BFGS: 9998 12:31:38 -102.405044 0.053600 BFGS: 9999 12:31:38 -102.405960 0.026109 BFGS: 10000 12:31:38 -102.397634 0.026045 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.022323167972734127 eV/Angstrom Maximum stress component: 0.0006448769204426335 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[6.84836436e-01 3.54813364e-01 3.16446982e-01] [8.15163564e-01 6.45186636e-01 8.16446982e-01] [8.15163564e-01 3.54813364e-01 1.83553018e-01] [6.84836436e-01 6.45186636e-01 6.83553018e-01] [3.15163564e-01 6.45186636e-01 6.83553018e-01] [1.84836436e-01 3.54813364e-01 1.83553018e-01] [1.84836436e-01 6.45186636e-01 8.16446982e-01] [3.15163564e-01 3.54813364e-01 3.16446982e-01] [6.84007926e-01 6.76592867e-01 1.84242866e-01] [8.15992074e-01 3.23407133e-01 6.84242866e-01] [8.15992074e-01 6.76592867e-01 3.15757134e-01] [6.84007926e-01 3.23407133e-01 8.15757134e-01] [3.15992074e-01 3.23407133e-01 8.15757134e-01] [1.84007926e-01 6.76592867e-01 3.15757134e-01] [1.84007926e-01 3.23407133e-01 6.84242866e-01] [3.15992074e-01 6.76592867e-01 1.84242866e-01] [1.00000000e+00 0.00000000e+00 1.04317308e-16] [5.00000000e-01 1.02100663e-48 5.00000000e-01] [5.00000000e-01 1.02100663e-48 1.04317308e-16] [1.00000000e+00 0.00000000e+00 5.00000000e-01] [8.46787982e-01 0.00000000e+00 1.04317308e-16] [6.53212018e-01 0.00000000e+00 5.00000000e-01] [1.53212018e-01 0.00000000e+00 1.04317308e-16] [3.46787982e-01 3.65323383e-35 5.00000000e-01] [2.50000000e-01 5.15828052e-01 2.50000000e-01] [2.50000000e-01 4.84171948e-01 7.50000000e-01] [7.50000000e-01 4.84171948e-01 7.50000000e-01] [7.50000000e-01 5.15828052e-01 2.50000000e-01] [1.00000000e+00 9.63337586e-01 6.53704887e-01] [5.00000000e-01 3.66624139e-02 1.53704887e-01] [5.00000000e-01 9.63337586e-01 8.46295113e-01] [1.00000000e+00 3.66624139e-02 3.46295113e-01]] cellpar = Cell([[8.182506897216841, -3.7261600544352565e-34, 0.0], [-1.8472343157097654e-34, 3.329808639078429, 0.0], [0.0, 0.0, 8.117508462254532]]) forces = [[-1.33663939e-03 -1.00810405e-03 1.20888653e-03] [ 1.33663939e-03 1.00810405e-03 1.20888653e-03] [ 1.33663939e-03 -1.00810405e-03 -1.20888653e-03] [-1.33663939e-03 1.00810405e-03 -1.20888653e-03] [ 1.33663939e-03 1.00810405e-03 -1.20888653e-03] [-1.33663939e-03 -1.00810405e-03 -1.20888653e-03] [-1.33663939e-03 1.00810405e-03 1.20888653e-03] [ 1.33663939e-03 -1.00810405e-03 1.20888653e-03] [ 5.41115613e-04 3.01900996e-04 -1.77581753e-04] [-5.41115613e-04 -3.01900996e-04 -1.77581753e-04] [-5.41115613e-04 3.01900996e-04 1.77581753e-04] [ 5.41115613e-04 -3.01900996e-04 1.77581753e-04] [-5.41115613e-04 -3.01900996e-04 1.77581753e-04] [ 5.41115613e-04 3.01900996e-04 1.77581753e-04] [ 5.41115613e-04 -3.01900996e-04 -1.77581753e-04] [-5.41115613e-04 3.01900996e-04 -1.77581753e-04] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-7.79629635e-04 3.55028702e-38 0.00000000e+00] [ 7.79629635e-04 -3.55028702e-38 -8.39330703e-25] [ 7.79629635e-04 -3.55028702e-38 1.67866141e-24] [-7.79629635e-04 3.55028702e-38 -8.39330703e-25] [ 1.98349581e-37 -3.57543243e-03 5.24581689e-26] [-1.98349581e-37 3.57543243e-03 5.24581689e-26] [-1.98349581e-37 3.57543243e-03 -5.24581689e-26] [ 1.98349581e-37 -3.57543243e-03 -5.24581689e-26] [ 9.75876282e-37 -1.75910616e-02 2.23231680e-02] [-9.75876282e-37 1.75910616e-02 2.23231680e-02] [ 9.75876282e-37 -1.75910616e-02 -2.23231680e-02] [-9.75876282e-37 1.75910616e-02 -2.23231680e-02]] stress = [6.44876920e-04 5.18948058e-04 6.90505752e-05 0.00000000e+00 0.00000000e+00 3.10074735e-38] energy per atom = -3.1558769198443297 =============================================== Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0