element(s): ['H', 'W'] AFLOW prototype label: A5B_oP12_28_c2d_c Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.1253', '0.58707329', '0.5002204', '0.84626775', '0.55635221', '0.13827679', '0.022328317', '0.89711565', '0.69471135', '0.55249409', '0.92665342', '0.27024102', '0.043925651'] model name: EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM1_WHHe__MO_292520929154_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['H', 'H', 'H', 'W'] representative atom coordinates = [[0.25 0.84626775 0.55635221] [0.89711565 0.69471135 0.55249409] [0.92665342 0.27024102 0.04392565] [0.25 0.13827679 0.02232832]] spacegroup = 28 cell = [[6.1253, 0, 0], [0, 3.596, 0], [0, 0, 3.064]] ========================================= Step Time Energy fmax BFGS: 0 16:44:05 -0.262502 4.457378 BFGS: 1 16:44:06 -0.900433 1.435989 BFGS: 2 16:44:06 -1.182446 1.086420 BFGS: 3 16:44:06 -1.343037 0.875585 BFGS: 4 16:44:06 -1.467061 0.946848 BFGS: 5 16:44:06 -1.559850 0.867891 BFGS: 6 16:44:06 -1.641645 0.776841 BFGS: 7 16:44:06 -1.719570 0.688078 BFGS: 8 16:44:07 -1.795215 0.624516 BFGS: 9 16:44:07 -1.868080 0.664253 BFGS: 10 16:44:07 -1.937672 0.692644 BFGS: 11 16:44:07 -2.004212 0.710577 BFGS: 12 16:44:07 -2.067983 0.719070 BFGS: 13 16:44:07 -2.129740 0.718665 BFGS: 14 16:44:07 -2.190980 0.711039 BFGS: 15 16:44:08 -2.250545 0.699603 BFGS: 16 16:44:08 -2.308050 0.694385 BFGS: 17 16:44:08 -2.363683 0.702611 BFGS: 18 16:44:08 -2.417586 0.709080 BFGS: 19 16:44:08 -2.469883 0.714034 BFGS: 20 16:44:08 -2.520689 0.717653 BFGS: 21 16:44:08 -2.570106 0.719238 BFGS: 22 16:44:08 -2.618278 0.719446 BFGS: 23 16:44:08 -2.665449 0.720240 BFGS: 24 16:44:08 -2.711628 0.721705 BFGS: 25 16:44:08 -2.756575 0.723676 BFGS: 26 16:44:08 -2.800076 0.726224 BFGS: 27 16:44:08 -2.841960 0.729433 BFGS: 28 16:44:08 -2.882114 0.733415 BFGS: 29 16:44:08 -2.920484 0.738043 BFGS: 30 16:44:08 -2.956948 0.741062 BFGS: 31 16:44:08 -2.991628 0.741751 BFGS: 32 16:44:08 -3.024706 0.739917 BFGS: 33 16:44:09 -3.056331 0.735694 BFGS: 34 16:44:09 -3.086670 0.729071 BFGS: 35 16:44:09 -3.115941 0.720027 BFGS: 36 16:44:09 -3.144415 0.708631 BFGS: 37 16:44:09 -3.172412 0.695244 BFGS: 38 16:44:09 -3.200243 0.680423 BFGS: 39 16:44:09 -3.228099 0.664241 BFGS: 40 16:44:09 -3.256133 0.646962 BFGS: 41 16:44:09 -3.284452 0.629853 BFGS: 42 16:44:09 -3.312944 0.613089 BFGS: 43 16:44:09 -3.341408 0.597409 BFGS: 44 16:44:09 -3.369544 0.583101 BFGS: 45 16:44:09 -3.397014 0.569859 BFGS: 46 16:44:09 -3.423554 0.557153 BFGS: 47 16:44:09 -3.449055 0.545103 BFGS: 48 16:44:09 -3.473478 0.533815 BFGS: 49 16:44:09 -3.496848 0.523257 BFGS: 50 16:44:09 -3.519240 0.513250 BFGS: 51 16:44:09 -3.540823 0.503809 BFGS: 52 16:44:09 -3.561769 0.494938 BFGS: 53 16:44:09 -3.582242 0.486630 BFGS: 54 16:44:09 -3.602393 0.478858 BFGS: 55 16:44:09 -3.622358 0.471577 BFGS: 56 16:44:09 -3.642252 0.464763 BFGS: 57 16:44:09 -3.662175 0.458393 BFGS: 58 16:44:09 -3.682206 0.452451 BFGS: 59 16:44:09 -3.702410 0.446919 BFGS: 60 16:44:09 -3.722837 0.441789 BFGS: 61 16:44:09 -3.743523 0.437003 BFGS: 62 16:44:09 -3.764492 0.435506 BFGS: 63 16:44:09 -3.785771 0.439923 BFGS: 64 16:44:09 -3.807377 0.444211 BFGS: 65 16:44:09 -3.829317 0.448240 BFGS: 66 16:44:09 -3.851597 0.451995 BFGS: 67 16:44:09 -3.874228 0.455473 BFGS: 68 16:44:09 -3.897234 0.458710 BFGS: 69 16:44:09 -3.920639 0.461726 BFGS: 70 16:44:09 -3.944467 0.464532 BFGS: 71 16:44:09 -3.968735 0.467130 BFGS: 72 16:44:09 -3.993461 0.469418 BFGS: 73 16:44:09 -4.018635 0.471149 BFGS: 74 16:44:09 -4.044161 0.472368 BFGS: 75 16:44:09 -4.069952 0.473117 BFGS: 76 16:44:09 -4.095931 0.477105 BFGS: 77 16:44:09 -4.122020 0.488146 BFGS: 78 16:44:09 -4.148122 0.500348 BFGS: 79 16:44:09 -4.174179 0.513442 BFGS: 80 16:44:09 -4.200157 0.527091 BFGS: 81 16:44:09 -4.226050 0.540998 BFGS: 82 16:44:09 -4.251859 0.554952 BFGS: 83 16:44:09 -4.277592 0.568827 BFGS: 84 16:44:09 -4.303252 0.582596 BFGS: 85 16:44:09 -4.328847 0.596367 BFGS: 86 16:44:09 -4.354571 0.611772 BFGS: 87 16:44:09 -4.380326 0.628338 BFGS: 88 16:44:09 -4.406141 0.646070 BFGS: 89 16:44:09 -4.432045 0.665001 BFGS: 90 16:44:09 -4.458067 0.685168 BFGS: 91 16:44:09 -4.484203 0.706610 BFGS: 92 16:44:09 -4.510306 0.729323 BFGS: 93 16:44:09 -4.536387 0.753400 BFGS: 94 16:44:09 -4.562545 0.778928 BFGS: 95 16:44:09 -4.588879 0.805984 BFGS: 96 16:44:09 -4.615492 0.834629 BFGS: 97 16:44:09 -4.642496 0.876169 BFGS: 98 16:44:09 -4.670011 0.924079 BFGS: 99 16:44:09 -4.698166 0.975342 BFGS: 100 16:44:09 -4.727110 1.029870 BFGS: 101 16:44:09 -4.757008 1.087469 BFGS: 102 16:44:09 -4.788044 1.147810 BFGS: 103 16:44:09 -4.820413 1.210399 BFGS: 104 16:44:09 -4.854320 1.274541 BFGS: 105 16:44:10 -4.889897 1.339341 BFGS: 106 16:44:10 -4.927230 1.403710 BFGS: 107 16:44:10 -4.966374 1.466385 BFGS: 108 16:44:10 -5.007331 1.525966 BFGS: 109 16:44:10 -5.050039 1.580988 BFGS: 110 16:44:10 -5.094355 1.630007 BFGS: 111 16:44:10 -5.140065 1.671698 BFGS: 112 16:44:10 -5.186907 1.704946 BFGS: 113 16:44:10 -5.234584 1.728903 BFGS: 114 16:44:10 -5.282796 1.743024 BFGS: 115 16:44:10 -5.331258 1.747071 BFGS: 116 16:44:10 -5.379709 1.741124 BFGS: 117 16:44:10 -5.427919 1.725499 BFGS: 118 16:44:10 -5.475700 1.700714 BFGS: 119 16:44:10 -5.522898 1.667434 BFGS: 120 16:44:10 -5.569361 1.626387 BFGS: 121 16:44:10 -5.614967 1.578326 BFGS: 122 16:44:10 -5.659635 1.524054 BFGS: 123 16:44:10 -5.703309 1.464406 BFGS: 124 16:44:10 -5.745954 1.400245 BFGS: 125 16:44:10 -5.787548 1.332542 BFGS: 126 16:44:10 -5.827930 1.262772 BFGS: 127 16:44:10 -5.866986 1.192336 BFGS: 128 16:44:10 -5.904665 1.158324 BFGS: 129 16:44:10 -5.940966 1.127316 BFGS: 130 16:44:10 -5.976015 1.097277 BFGS: 131 16:44:10 -6.009928 1.068339 BFGS: 132 16:44:10 -6.042802 1.040627 BFGS: 133 16:44:10 -6.074720 1.014223 BFGS: 134 16:44:10 -6.105752 0.989194 BFGS: 135 16:44:10 -6.135961 0.965596 BFGS: 136 16:44:10 -6.165393 0.943461 BFGS: 137 16:44:10 -6.194086 0.922808 BFGS: 138 16:44:10 -6.222077 0.903641 BFGS: 139 16:44:10 -6.249403 0.885950 BFGS: 140 16:44:10 -6.276097 0.869712 BFGS: 141 16:44:10 -6.302192 0.854894 BFGS: 142 16:44:10 -6.327718 0.841450 BFGS: 143 16:44:10 -6.352706 0.829326 BFGS: 144 16:44:10 -6.377184 0.818458 BFGS: 145 16:44:10 -6.401180 0.808776 BFGS: 146 16:44:10 -6.424727 0.800208 BFGS: 147 16:44:10 -6.447850 0.792676 BFGS: 148 16:44:10 -6.470576 0.786101 BFGS: 149 16:44:10 -6.492927 0.780402 BFGS: 150 16:44:10 -6.514928 0.775497 BFGS: 151 16:44:10 -6.536599 0.771309 BFGS: 152 16:44:10 -6.557960 0.767761 BFGS: 153 16:44:10 -6.579028 0.764778 BFGS: 154 16:44:10 -6.599819 0.762290 BFGS: 155 16:44:10 -6.620348 0.760229 BFGS: 156 16:44:10 -6.640629 0.758535 BFGS: 157 16:44:10 -6.660673 0.757147 BFGS: 158 16:44:10 -6.680491 0.756014 BFGS: 159 16:44:10 -6.700095 0.755085 BFGS: 160 16:44:10 -6.719492 0.754312 BFGS: 161 16:44:10 -6.738690 0.753610 BFGS: 162 16:44:10 -6.757705 0.752953 BFGS: 163 16:44:10 -6.776555 0.752328 BFGS: 164 16:44:10 -6.795261 0.751729 BFGS: 165 16:44:10 -6.813837 0.752998 BFGS: 166 16:44:10 -6.832296 0.764743 BFGS: 167 16:44:10 -6.850652 0.776308 BFGS: 168 16:44:10 -6.868913 0.787748 BFGS: 169 16:44:10 -6.887092 0.799087 BFGS: 170 16:44:10 -6.905198 0.810292 BFGS: 171 16:44:10 -6.923240 0.821335 BFGS: 172 16:44:10 -6.941226 0.832196 BFGS: 173 16:44:10 -6.959162 0.842856 BFGS: 174 16:44:10 -6.977054 0.853302 BFGS: 175 16:44:10 -6.994905 0.863523 BFGS: 176 16:44:10 -7.012713 0.873528 BFGS: 177 16:44:10 -7.030476 0.883324 BFGS: 178 16:44:11 -7.048196 0.892913 BFGS: 179 16:44:11 -7.065871 0.902296 BFGS: 180 16:44:11 -7.083503 0.911469 BFGS: 181 16:44:11 -7.101092 0.920428 BFGS: 182 16:44:11 -7.118637 0.929170 BFGS: 183 16:44:11 -7.136140 0.937690 BFGS: 184 16:44:11 -7.153600 0.946045 BFGS: 185 16:44:11 -7.171018 0.954262 BFGS: 186 16:44:11 -7.188398 0.962321 BFGS: 187 16:44:11 -7.205738 0.970208 BFGS: 188 16:44:11 -7.223038 0.977920 BFGS: 189 16:44:11 -7.240297 0.985453 BFGS: 190 16:44:11 -7.257516 0.992803 BFGS: 191 16:44:11 -7.274696 0.999961 BFGS: 192 16:44:11 -7.291840 1.006916 BFGS: 193 16:44:11 -7.308948 1.013658 BFGS: 194 16:44:12 -7.326023 1.020176 BFGS: 195 16:44:12 -7.343066 1.026459 BFGS: 196 16:44:12 -7.360083 1.032492 BFGS: 197 16:44:12 -7.377074 1.038259 BFGS: 198 16:44:12 -7.394040 1.043745 BFGS: 199 16:44:12 -7.410979 1.048945 BFGS: 200 16:44:12 -7.427891 1.053853 BFGS: 201 16:44:12 -7.444776 1.058443 BFGS: 202 16:44:12 -7.461636 1.062680 BFGS: 203 16:44:12 -7.478474 1.066552 BFGS: 204 16:44:12 -7.495290 1.070054 BFGS: 205 16:44:12 -7.512081 1.073187 BFGS: 206 16:44:12 -7.528847 1.075956 BFGS: 207 16:44:12 -7.545586 1.078369 BFGS: 208 16:44:12 -7.562295 1.080435 BFGS: 209 16:44:12 -7.578972 1.082165 BFGS: 210 16:44:13 -7.595615 1.083569 BFGS: 211 16:44:13 -7.612223 1.084661 BFGS: 212 16:44:13 -7.628793 1.085455 BFGS: 213 16:44:13 -7.645323 1.085964 BFGS: 214 16:44:13 -7.661812 1.086205 BFGS: 215 16:44:13 -7.678258 1.086194 BFGS: 216 16:44:13 -7.694660 1.085947 BFGS: 217 16:44:13 -7.711016 1.085482 BFGS: 218 16:44:13 -7.727325 1.084818 BFGS: 219 16:44:13 -7.743585 1.083975 BFGS: 220 16:44:13 -7.759797 1.082972 BFGS: 221 16:44:13 -7.775960 1.081830 BFGS: 222 16:44:13 -7.792072 1.080569 BFGS: 223 16:44:14 -7.808134 1.079211 BFGS: 224 16:44:14 -7.824145 1.077779 BFGS: 225 16:44:14 -7.840106 1.076295 BFGS: 226 16:44:14 -7.856016 1.074782 BFGS: 227 16:44:14 -7.871878 1.073263 BFGS: 228 16:44:14 -7.887690 1.071761 BFGS: 229 16:44:14 -7.903455 1.070301 BFGS: 230 16:44:14 -7.919174 1.068906 BFGS: 231 16:44:15 -7.934848 1.067601 BFGS: 232 16:44:15 -7.950479 1.066411 BFGS: 233 16:44:15 -7.966070 1.065359 BFGS: 234 16:44:15 -7.981623 1.064472 BFGS: 235 16:44:15 -7.997140 1.063774 BFGS: 236 16:44:15 -8.012618 1.063289 BFGS: 237 16:44:15 -8.028055 1.062941 BFGS: 238 16:44:16 -8.043450 1.062389 BFGS: 239 16:44:16 -8.058793 1.061638 BFGS: 240 16:44:16 -8.074080 1.060711 BFGS: 241 16:44:16 -8.089308 1.059627 BFGS: 242 16:44:16 -8.104479 1.058397 BFGS: 243 16:44:16 -8.119598 1.056934 BFGS: 244 16:44:16 -8.134624 1.049708 BFGS: 245 16:44:16 -8.149389 1.034674 BFGS: 246 16:44:16 -8.163791 1.015190 BFGS: 247 16:44:16 -8.177860 0.994056 BFGS: 248 16:44:16 -8.191678 0.972934 BFGS: 249 16:44:16 -8.205339 0.952575 BFGS: 250 16:44:16 -8.218927 0.933209 BFGS: 251 16:44:16 -8.232511 0.914829 BFGS: 252 16:44:16 -8.246147 0.897416 BFGS: 253 16:44:16 -8.259876 0.882264 BFGS: 254 16:44:16 -8.273755 0.869018 BFGS: 255 16:44:16 -8.287831 0.856874 BFGS: 256 16:44:17 -8.302132 0.845355 BFGS: 257 16:44:17 -8.316677 0.834152 BFGS: 258 16:44:17 -8.331479 0.823062 BFGS: 259 16:44:17 -8.346544 0.811958 BFGS: 260 16:44:17 -8.361871 0.800769 BFGS: 261 16:44:17 -8.377459 0.789475 BFGS: 262 16:44:17 -8.393300 0.778077 BFGS: 263 16:44:17 -8.409386 0.766596 BFGS: 264 16:44:18 -8.425708 0.755070 BFGS: 265 16:44:18 -8.442253 0.743545 BFGS: 266 16:44:18 -8.459011 0.732067 BFGS: 267 16:44:18 -8.475970 0.720683 BFGS: 268 16:44:18 -8.493116 0.709436 BFGS: 269 16:44:18 -8.510438 0.703707 BFGS: 270 16:44:18 -8.527926 0.712244 BFGS: 271 16:44:19 -8.545567 0.720291 BFGS: 272 16:44:19 -8.563347 0.727823 BFGS: 273 16:44:19 -8.581257 0.734845 BFGS: 274 16:44:19 -8.599286 0.741356 BFGS: 275 16:44:19 -8.617422 0.747307 BFGS: 276 16:44:19 -8.635657 0.752691 BFGS: 277 16:44:19 -8.653980 0.757498 BFGS: 278 16:44:19 -8.672382 0.761725 BFGS: 279 16:44:20 -8.690852 0.765368 BFGS: 280 16:44:20 -8.709383 0.768426 BFGS: 281 16:44:20 -8.727965 0.770900 BFGS: 282 16:44:20 -8.746589 0.772793 BFGS: 283 16:44:20 -8.765247 0.774111 BFGS: 284 16:44:20 -8.783928 0.774860 BFGS: 285 16:44:20 -8.802625 0.775047 BFGS: 286 16:44:20 -8.821329 0.774683 BFGS: 287 16:44:20 -8.840029 0.773776 BFGS: 288 16:44:20 -8.858719 0.772341 BFGS: 289 16:44:20 -8.877389 0.770393 BFGS: 290 16:44:20 -8.896029 0.767946 BFGS: 291 16:44:20 -8.914632 0.765016 BFGS: 292 16:44:20 -8.933190 0.761621 BFGS: 293 16:44:20 -8.951693 0.757779 BFGS: 294 16:44:20 -8.970135 0.753518 BFGS: 295 16:44:20 -8.988508 0.748864 BFGS: 296 16:44:20 -9.006804 0.743838 BFGS: 297 16:44:20 -9.025019 0.738461 BFGS: 298 16:44:20 -9.043147 0.732752 BFGS: 299 16:44:21 -9.061183 0.726744 BFGS: 300 16:44:21 -9.079125 0.720469 BFGS: 301 16:44:21 -9.096968 0.713945 BFGS: 302 16:44:21 -9.114709 0.707189 BFGS: 303 16:44:21 -9.132344 0.700222 BFGS: 304 16:44:21 -9.149872 0.693064 BFGS: 305 16:44:21 -9.167289 0.685727 BFGS: 306 16:44:21 -9.184594 0.678232 BFGS: 307 16:44:21 -9.201784 0.670601 BFGS: 308 16:44:21 -9.218858 0.662856 BFGS: 309 16:44:21 -9.235817 0.655019 BFGS: 310 16:44:21 -9.252662 0.647119 BFGS: 311 16:44:21 -9.269396 0.639187 BFGS: 312 16:44:21 -9.286021 0.631259 BFGS: 313 16:44:21 -9.302543 0.623374 BFGS: 314 16:44:21 -9.318968 0.615577 BFGS: 315 16:44:21 -9.335304 0.607919 BFGS: 316 16:44:21 -9.351562 0.600447 BFGS: 317 16:44:21 -9.367753 0.593047 BFGS: 318 16:44:21 -9.383860 0.585508 BFGS: 319 16:44:21 -9.399867 0.577742 BFGS: 320 16:44:21 -9.415767 0.569733 BFGS: 321 16:44:21 -9.431550 0.561482 BFGS: 322 16:44:21 -9.447210 0.552996 BFGS: 323 16:44:21 -9.462742 0.544287 BFGS: 324 16:44:21 -9.478141 0.538342 BFGS: 325 16:44:21 -9.493401 0.535268 BFGS: 326 16:44:21 -9.508521 0.532180 BFGS: 327 16:44:21 -9.523498 0.529083 BFGS: 328 16:44:21 -9.538331 0.525979 BFGS: 329 16:44:21 -9.553020 0.522873 BFGS: 330 16:44:21 -9.567566 0.519766 BFGS: 331 16:44:21 -9.581969 0.516660 BFGS: 332 16:44:21 -9.596232 0.513555 BFGS: 333 16:44:21 -9.610357 0.510453 BFGS: 334 16:44:21 -9.624349 0.507355 BFGS: 335 16:44:21 -9.638211 0.504259 BFGS: 336 16:44:21 -9.651946 0.501166 BFGS: 337 16:44:21 -9.665559 0.498074 BFGS: 338 16:44:21 -9.679056 0.494986 BFGS: 339 16:44:22 -9.692440 0.491903 BFGS: 340 16:44:22 -9.705716 0.488822 BFGS: 341 16:44:22 -9.718890 0.485745 BFGS: 342 16:44:22 -9.731965 0.482670 BFGS: 343 16:44:22 -9.744947 0.479596 BFGS: 344 16:44:22 -9.757840 0.476521 BFGS: 345 16:44:22 -9.770648 0.473446 BFGS: 346 16:44:22 -9.783376 0.470370 BFGS: 347 16:44:22 -9.796028 0.467291 BFGS: 348 16:44:22 -9.808607 0.464210 BFGS: 349 16:44:22 -9.821118 0.461126 BFGS: 350 16:44:22 -9.833564 0.458039 BFGS: 351 16:44:22 -9.845947 0.454947 BFGS: 352 16:44:22 -9.858273 0.451852 BFGS: 353 16:44:22 -9.870542 0.448752 BFGS: 354 16:44:22 -9.882758 0.445648 BFGS: 355 16:44:22 -9.894924 0.442539 BFGS: 356 16:44:22 -9.907041 0.439425 BFGS: 357 16:44:22 -9.919111 0.436307 BFGS: 358 16:44:22 -9.931138 0.433187 BFGS: 359 16:44:22 -9.943122 0.433244 BFGS: 360 16:44:22 -9.955065 0.434844 BFGS: 361 16:44:23 -9.966969 0.436365 BFGS: 362 16:44:23 -9.978835 0.437806 BFGS: 363 16:44:23 -9.990664 0.439168 BFGS: 364 16:44:23 -10.002457 0.440450 BFGS: 365 16:44:23 -10.014215 0.441654 BFGS: 366 16:44:23 -10.025940 0.442779 BFGS: 367 16:44:23 -10.037630 0.443825 BFGS: 368 16:44:23 -10.049289 0.444793 BFGS: 369 16:44:23 -10.060915 0.445683 BFGS: 370 16:44:23 -10.072509 0.446497 BFGS: 371 16:44:23 -10.084072 0.447233 BFGS: 372 16:44:23 -10.095604 0.447894 BFGS: 373 16:44:23 -10.107105 0.448479 BFGS: 374 16:44:23 -10.118576 0.448990 BFGS: 375 16:44:23 -10.130016 0.449426 BFGS: 376 16:44:23 -10.141426 0.449790 BFGS: 377 16:44:23 -10.152805 0.450080 BFGS: 378 16:44:23 -10.164154 0.450298 BFGS: 379 16:44:23 -10.175473 0.450445 BFGS: 380 16:44:24 -10.186761 0.450520 BFGS: 381 16:44:24 -10.198018 0.450526 BFGS: 382 16:44:24 -10.209244 0.450463 BFGS: 383 16:44:24 -10.220438 0.450331 BFGS: 384 16:44:24 -10.231601 0.450131 BFGS: 385 16:44:24 -10.242732 0.449865 BFGS: 386 16:44:24 -10.253831 0.449533 BFGS: 387 16:44:24 -10.264897 0.449136 BFGS: 388 16:44:24 -10.275930 0.448675 BFGS: 389 16:44:24 -10.286929 0.448150 BFGS: 390 16:44:24 -10.297895 0.447563 BFGS: 391 16:44:24 -10.308826 0.446915 BFGS: 392 16:44:24 -10.319723 0.446206 BFGS: 393 16:44:24 -10.330584 0.445437 BFGS: 394 16:44:24 -10.341409 0.444609 BFGS: 395 16:44:24 -10.352198 0.443723 BFGS: 396 16:44:24 -10.362950 0.442781 BFGS: 397 16:44:24 -10.373664 0.441782 BFGS: 398 16:44:24 -10.384341 0.440728 BFGS: 399 16:44:24 -10.394979 0.439621 BFGS: 400 16:44:24 -10.405577 0.438460 BFGS: 401 16:44:24 -10.416136 0.437247 BFGS: 402 16:44:24 -10.426655 0.435984 BFGS: 403 16:44:25 -10.437133 0.434669 BFGS: 404 16:44:25 -10.447568 0.433306 BFGS: 405 16:44:25 -10.457961 0.431894 BFGS: 406 16:44:25 -10.468309 0.430435 BFGS: 407 16:44:25 -10.478613 0.428930 BFGS: 408 16:44:25 -10.488870 0.427382 BFGS: 409 16:44:25 -10.499079 0.425792 BFGS: 410 16:44:25 -10.509241 0.424161 BFGS: 411 16:44:25 -10.519355 0.422491 BFGS: 412 16:44:25 -10.529419 0.420784 BFGS: 413 16:44:25 -10.539433 0.419041 BFGS: 414 16:44:25 -10.549396 0.417263 BFGS: 415 16:44:25 -10.559308 0.415451 BFGS: 416 16:44:26 -10.569168 0.413608 BFGS: 417 16:44:26 -10.578975 0.411734 BFGS: 418 16:44:26 -10.588730 0.409831 BFGS: 419 16:44:26 -10.598432 0.407900 BFGS: 420 16:44:26 -10.608080 0.405941 BFGS: 421 16:44:26 -10.617674 0.403957 BFGS: 422 16:44:26 -10.627213 0.401949 BFGS: 423 16:44:26 -10.636698 0.399917 BFGS: 424 16:44:26 -10.646128 0.397863 BFGS: 425 16:44:26 -10.655502 0.395788 BFGS: 426 16:44:26 -10.664822 0.393693 BFGS: 427 16:44:26 -10.674085 0.391580 BFGS: 428 16:44:26 -10.683293 0.389449 BFGS: 429 16:44:26 -10.692445 0.387303 BFGS: 430 16:44:27 -10.701541 0.385141 BFGS: 431 16:44:27 -10.710581 0.382965 BFGS: 432 16:44:27 -10.719565 0.380776 BFGS: 433 16:44:27 -10.728493 0.378575 BFGS: 434 16:44:27 -10.737365 0.376363 BFGS: 435 16:44:27 -10.746181 0.374141 BFGS: 436 16:44:27 -10.754940 0.371911 BFGS: 437 16:44:27 -10.763644 0.369674 BFGS: 438 16:44:27 -10.772292 0.367429 BFGS: 439 16:44:27 -10.780884 0.365180 BFGS: 440 16:44:27 -10.789421 0.362926 BFGS: 441 16:44:27 -10.797901 0.360668 BFGS: 442 16:44:27 -10.806327 0.358408 BFGS: 443 16:44:27 -10.814698 0.356147 BFGS: 444 16:44:27 -10.823013 0.353886 BFGS: 445 16:44:27 -10.831274 0.351626 BFGS: 446 16:44:27 -10.839480 0.349368 BFGS: 447 16:44:27 -10.847633 0.347112 BFGS: 448 16:44:28 -10.855731 0.344861 BFGS: 449 16:44:28 -10.863776 0.342615 BFGS: 450 16:44:28 -10.871767 0.340376 BFGS: 451 16:44:28 -10.879706 0.338143 BFGS: 452 16:44:28 -10.887592 0.335919 BFGS: 453 16:44:28 -10.895426 0.333705 BFGS: 454 16:44:28 -10.903208 0.331501 BFGS: 455 16:44:28 -10.910940 0.329308 BFGS: 456 16:44:28 -10.918620 0.327129 BFGS: 457 16:44:28 -10.926250 0.324964 BFGS: 458 16:44:28 -10.933831 0.322813 BFGS: 459 16:44:28 -10.941362 0.320680 BFGS: 460 16:44:28 -10.948844 0.318563 BFGS: 461 16:44:28 -10.956279 0.316465 BFGS: 462 16:44:28 -10.963666 0.314387 BFGS: 463 16:44:28 -10.971006 0.312331 BFGS: 464 16:44:28 -10.978300 0.310296 BFGS: 465 16:44:29 -10.985548 0.308286 BFGS: 466 16:44:29 -10.992752 0.306300 BFGS: 467 16:44:29 -10.999912 0.304341 BFGS: 468 16:44:29 -11.007028 0.302409 BFGS: 469 16:44:29 -11.014102 0.300507 BFGS: 470 16:44:29 -11.021135 0.298635 BFGS: 471 16:44:29 -11.028126 0.296795 BFGS: 472 16:44:29 -11.035078 0.294989 BFGS: 473 16:44:29 -11.041991 0.293218 BFGS: 474 16:44:29 -11.048866 0.291483 BFGS: 475 16:44:29 -11.055705 0.289787 BFGS: 476 16:44:29 -11.062507 0.288131 BFGS: 477 16:44:29 -11.069275 0.286517 BFGS: 478 16:44:29 -11.076009 0.284947 BFGS: 479 16:44:29 -11.082711 0.283422 BFGS: 480 16:44:29 -11.089381 0.281945 BFGS: 481 16:44:29 -11.096022 0.280517 BFGS: 482 16:44:29 -11.102634 0.279141 BFGS: 483 16:44:29 -11.109219 0.277818 BFGS: 484 16:44:29 -11.115778 0.276552 BFGS: 485 16:44:29 -11.122313 0.275343 BFGS: 486 16:44:29 -11.128825 0.274196 BFGS: 487 16:44:30 -11.135316 0.273111 BFGS: 488 16:44:30 -11.141788 0.272092 BFGS: 489 16:44:30 -11.148242 0.271141 BFGS: 490 16:44:30 -11.154680 0.270261 BFGS: 491 16:44:30 -11.161105 0.269454 BFGS: 492 16:44:30 -11.167517 0.268725 BFGS: 493 16:44:30 -11.173919 0.268074 BFGS: 494 16:44:30 -11.180314 0.267507 BFGS: 495 16:44:30 -11.186702 0.267025 BFGS: 496 16:44:30 -11.193087 0.266631 BFGS: 497 16:44:30 -11.199471 0.266330 BFGS: 498 16:44:30 -11.205856 0.266123 BFGS: 499 16:44:30 -11.212243 0.266014 BFGS: 500 16:44:30 -11.218636 0.266005 BFGS: 501 16:44:30 -11.225037 0.266098 BFGS: 502 16:44:30 -11.231445 0.266287 BFGS: 503 16:44:31 -11.237861 0.266539 BFGS: 504 16:44:31 -11.244285 0.266837 BFGS: 505 16:44:31 -11.250715 0.267174 BFGS: 506 16:44:31 -11.257147 0.267554 BFGS: 507 16:44:31 -11.263572 0.268046 BFGS: 508 16:44:31 -11.269981 0.268583 BFGS: 509 16:44:31 -11.276369 0.269124 BFGS: 510 16:44:31 -11.282732 0.269652 BFGS: 511 16:44:31 -11.289065 0.270158 BFGS: 512 16:44:31 -11.295364 0.270635 BFGS: 513 16:44:31 -11.301627 0.271079 BFGS: 514 16:44:31 -11.307848 0.271487 BFGS: 515 16:44:31 -11.314027 0.271856 BFGS: 516 16:44:31 -11.320160 0.272185 BFGS: 517 16:44:31 -11.326244 0.272472 BFGS: 518 16:44:31 -11.332277 0.272720 BFGS: 519 16:44:31 -11.338259 0.272929 BFGS: 520 16:44:31 -11.344186 0.273103 BFGS: 521 16:44:31 -11.350056 0.273245 BFGS: 522 16:44:31 -11.355869 0.273357 BFGS: 523 16:44:31 -11.361623 0.273445 BFGS: 524 16:44:31 -11.367317 0.273511 BFGS: 525 16:44:31 -11.372949 0.273560 BFGS: 526 16:44:31 -11.378517 0.273596 BFGS: 527 16:44:31 -11.384022 0.273624 BFGS: 528 16:44:31 -11.389462 0.273647 BFGS: 529 16:44:31 -11.394836 0.273669 BFGS: 530 16:44:32 -11.400144 0.273696 BFGS: 531 16:44:32 -11.405384 0.273732 BFGS: 532 16:44:32 -11.410558 0.273780 BFGS: 533 16:44:32 -11.415663 0.273843 BFGS: 534 16:44:32 -11.420701 0.273927 BFGS: 535 16:44:32 -11.425672 0.274035 BFGS: 536 16:44:32 -11.430577 0.274169 BFGS: 537 16:44:32 -11.435416 0.274333 BFGS: 538 16:44:32 -11.440191 0.274531 BFGS: 539 16:44:32 -11.444902 0.274765 BFGS: 540 16:44:32 -11.449553 0.275037 BFGS: 541 16:44:32 -11.454146 0.275349 BFGS: 542 16:44:32 -11.458682 0.275703 BFGS: 543 16:44:32 -11.463164 0.276100 BFGS: 544 16:44:32 -11.467597 0.276542 BFGS: 545 16:44:32 -11.471982 0.277028 BFGS: 546 16:44:32 -11.476323 0.277559 BFGS: 547 16:44:32 -11.480624 0.278135 BFGS: 548 16:44:32 -11.484888 0.278756 BFGS: 549 16:44:32 -11.489118 0.279420 BFGS: 550 16:44:32 -11.493318 0.280127 BFGS: 551 16:44:32 -11.497490 0.280875 BFGS: 552 16:44:32 -11.501638 0.281663 BFGS: 553 16:44:32 -11.505765 0.282489 BFGS: 554 16:44:32 -11.509873 0.283351 BFGS: 555 16:44:32 -11.513965 0.284247 BFGS: 556 16:44:32 -11.518042 0.285174 BFGS: 557 16:44:32 -11.522107 0.286130 BFGS: 558 16:44:32 -11.526163 0.287111 BFGS: 559 16:44:32 -11.530210 0.288117 BFGS: 560 16:44:32 -11.534250 0.289142 BFGS: 561 16:44:32 -11.538285 0.290185 BFGS: 562 16:44:32 -11.542316 0.291243 BFGS: 563 16:44:32 -11.546346 0.292312 BFGS: 564 16:44:32 -11.550374 0.293390 BFGS: 565 16:44:32 -11.554402 0.294473 BFGS: 566 16:44:32 -11.558432 0.295559 BFGS: 567 16:44:32 -11.562465 0.296644 BFGS: 568 16:44:32 -11.566501 0.297725 BFGS: 569 16:44:32 -11.570543 0.298800 BFGS: 570 16:44:32 -11.574590 0.299865 BFGS: 571 16:44:33 -11.578644 0.300917 BFGS: 572 16:44:33 -11.582707 0.302650 BFGS: 573 16:44:33 -11.586778 0.304681 BFGS: 574 16:44:33 -11.590859 0.306649 BFGS: 575 16:44:33 -11.594952 0.308552 BFGS: 576 16:44:33 -11.599057 0.310388 BFGS: 577 16:44:33 -11.603174 0.312154 BFGS: 578 16:44:33 -11.607306 0.313848 BFGS: 579 16:44:33 -11.611453 0.315468 BFGS: 580 16:44:33 -11.615617 0.317011 BFGS: 581 16:44:33 -11.619797 0.318473 BFGS: 582 16:44:33 -11.623996 0.319853 BFGS: 583 16:44:33 -11.628214 0.321148 BFGS: 584 16:44:33 -11.632453 0.322355 BFGS: 585 16:44:33 -11.636713 0.323470 BFGS: 586 16:44:33 -11.640997 0.324491 BFGS: 587 16:44:33 -11.645305 0.325414 BFGS: 588 16:44:33 -11.649638 0.326235 BFGS: 589 16:44:33 -11.653998 0.326951 BFGS: 590 16:44:33 -11.658387 0.327555 BFGS: 591 16:44:33 -11.662806 0.328043 BFGS: 592 16:44:33 -11.667257 0.328410 BFGS: 593 16:44:33 -11.671741 0.328649 BFGS: 594 16:44:33 -11.676261 0.328756 BFGS: 595 16:44:33 -11.680820 0.328727 BFGS: 596 16:44:33 -11.685421 0.328555 BFGS: 597 16:44:33 -11.690065 0.328233 BFGS: 598 16:44:33 -11.694757 0.327754 BFGS: 599 16:44:33 -11.699499 0.327109 BFGS: 600 16:44:33 -11.704294 0.326289 BFGS: 601 16:44:33 -11.709146 0.325286 BFGS: 602 16:44:33 -11.714059 0.324089 BFGS: 603 16:44:33 -11.719037 0.322687 BFGS: 604 16:44:33 -11.724083 0.321070 BFGS: 605 16:44:33 -11.729202 0.319223 BFGS: 606 16:44:33 -11.734399 0.317134 BFGS: 607 16:44:33 -11.739678 0.314789 BFGS: 608 16:44:33 -11.745044 0.312170 BFGS: 609 16:44:33 -11.750503 0.309261 BFGS: 610 16:44:33 -11.756061 0.306043 BFGS: 611 16:44:33 -11.761723 0.302498 BFGS: 612 16:44:33 -11.767495 0.298603 BFGS: 613 16:44:33 -11.773383 0.294337 BFGS: 614 16:44:33 -11.779392 0.289676 BFGS: 615 16:44:33 -11.785529 0.284597 BFGS: 616 16:44:33 -11.791797 0.279074 BFGS: 617 16:44:33 -11.798202 0.273083 BFGS: 618 16:44:33 -11.804747 0.266600 BFGS: 619 16:44:33 -11.811433 0.260988 BFGS: 620 16:44:33 -11.818261 0.259952 BFGS: 621 16:44:33 -11.825231 0.258801 BFGS: 622 16:44:33 -11.832338 0.257519 BFGS: 623 16:44:33 -11.839576 0.256086 BFGS: 624 16:44:34 -11.846938 0.254482 BFGS: 625 16:44:34 -11.854413 0.252682 BFGS: 626 16:44:34 -11.861988 0.250659 BFGS: 627 16:44:34 -11.869648 0.248382 BFGS: 628 16:44:34 -11.877376 0.245818 BFGS: 629 16:44:34 -11.885156 0.242929 BFGS: 630 16:44:34 -11.892971 0.239673 BFGS: 631 16:44:34 -11.900804 0.236005 BFGS: 632 16:44:34 -11.908644 0.231876 BFGS: 633 16:44:34 -11.916480 0.227231 BFGS: 634 16:44:34 -11.924308 0.222013 BFGS: 635 16:44:34 -11.932129 0.216149 BFGS: 636 16:44:34 -11.939945 0.209545 BFGS: 637 16:44:34 -11.947759 0.202101 BFGS: 638 16:44:34 -11.955572 0.193721 BFGS: 639 16:44:34 -11.963387 0.184300 BFGS: 640 16:44:34 -11.971205 0.185451 BFGS: 641 16:44:34 -11.979030 0.190097 BFGS: 642 16:44:34 -11.986861 0.194568 BFGS: 643 16:44:34 -11.994699 0.198434 BFGS: 644 16:44:34 -12.002547 0.201195 BFGS: 645 16:44:34 -12.010430 0.202237 BFGS: 646 16:44:34 -12.018437 0.200657 BFGS: 647 16:44:34 -12.026871 0.194603 BFGS: 648 16:44:34 -12.036133 0.178481 BFGS: 649 16:44:34 -12.043343 0.239891 BFGS: 650 16:44:34 -12.051168 0.272109 BFGS: 651 16:44:34 -12.057401 0.277837 BFGS: 652 16:44:34 -12.062993 0.268194 BFGS: 653 16:44:34 -12.068159 0.245336 BFGS: 654 16:44:34 -12.072996 0.207248 BFGS: 655 16:44:34 -12.077685 0.167572 BFGS: 656 16:44:34 -12.081469 0.179072 BFGS: 657 16:44:34 -12.085833 0.149078 BFGS: 658 16:44:34 -12.089574 0.105661 BFGS: 659 16:44:34 -12.092422 0.096965 BFGS: 660 16:44:34 -12.094682 0.085403 BFGS: 661 16:44:34 -12.096361 0.072585 BFGS: 662 16:44:34 -12.097525 0.067748 BFGS: 663 16:44:34 -12.098312 0.084161 BFGS: 664 16:44:34 -12.099269 0.087593 BFGS: 665 16:44:34 -12.100539 0.086740 BFGS: 666 16:44:34 -12.101625 0.085797 BFGS: 667 16:44:34 -12.102464 0.067683 BFGS: 668 16:44:34 -12.103184 0.072102 BFGS: 669 16:44:34 -12.104083 0.081682 BFGS: 670 16:44:34 -12.105354 0.086448 BFGS: 671 16:44:34 -12.106228 0.112665 BFGS: 672 16:44:34 -12.106964 0.125086 BFGS: 673 16:44:34 -12.107615 0.131609 BFGS: 674 16:44:34 -12.108228 0.135228 BFGS: 675 16:44:34 -12.108842 0.136967 BFGS: 676 16:44:34 -12.109484 0.137145 BFGS: 677 16:44:34 -12.110166 0.135882 BFGS: 678 16:44:34 -12.110895 0.133254 BFGS: 679 16:44:34 -12.111667 0.129323 BFGS: 680 16:44:34 -12.112476 0.124134 BFGS: 681 16:44:34 -12.113312 0.117713 BFGS: 682 16:44:34 -12.114159 0.110056 BFGS: 683 16:44:34 -12.114997 0.101117 BFGS: 684 16:44:34 -12.115798 0.090781 BFGS: 685 16:44:34 -12.116530 0.078801 BFGS: 686 16:44:34 -12.117147 0.064610 BFGS: 687 16:44:34 -12.117589 0.063226 BFGS: 688 16:44:35 -12.117750 0.061666 BFGS: 689 16:44:35 -12.117918 0.055395 BFGS: 690 16:44:35 -12.118156 0.041473 BFGS: 691 16:44:35 -12.118416 0.024308 BFGS: 692 16:44:35 -12.118734 0.023524 BFGS: 693 16:44:35 -12.119074 0.035007 BFGS: 694 16:44:35 -12.119300 0.044987 BFGS: 695 16:44:35 -12.119483 0.050561 BFGS: 696 16:44:35 -12.119649 0.054254 BFGS: 697 16:44:35 -12.119805 0.056997 BFGS: 698 16:44:35 -12.119958 0.059183 BFGS: 699 16:44:35 -12.120115 0.060983 BFGS: 700 16:44:35 -12.120279 0.062469 BFGS: 701 16:44:35 -12.120455 0.063679 BFGS: 702 16:44:35 -12.120644 0.064638 BFGS: 703 16:44:35 -12.120846 0.065372 BFGS: 704 16:44:35 -12.121061 0.065903 BFGS: 705 16:44:35 -12.121288 0.066256 BFGS: 706 16:44:35 -12.121526 0.066454 BFGS: 707 16:44:35 -12.121773 0.066519 BFGS: 708 16:44:35 -12.122029 0.066472 BFGS: 709 16:44:35 -12.122291 0.066333 BFGS: 710 16:44:35 -12.122558 0.066122 BFGS: 711 16:44:35 -12.122829 0.065857 BFGS: 712 16:44:35 -12.123103 0.065554 BFGS: 713 16:44:36 -12.123377 0.065216 BFGS: 714 16:44:36 -12.123653 0.064849 BFGS: 715 16:44:36 -12.123929 0.064463 BFGS: 716 16:44:36 -12.124204 0.064069 BFGS: 717 16:44:36 -12.124478 0.063671 BFGS: 718 16:44:36 -12.124752 0.063275 BFGS: 719 16:44:36 -12.125024 0.062881 BFGS: 720 16:44:36 -12.125296 0.062485 BFGS: 721 16:44:36 -12.125566 0.062085 BFGS: 722 16:44:36 -12.125836 0.061679 BFGS: 723 16:44:36 -12.126104 0.061267 BFGS: 724 16:44:36 -12.126371 0.060847 BFGS: 725 16:44:36 -12.126637 0.060419 BFGS: 726 16:44:36 -12.126901 0.059983 BFGS: 727 16:44:36 -12.127164 0.059540 BFGS: 728 16:44:36 -12.127426 0.059089 BFGS: 729 16:44:36 -12.127686 0.058630 BFGS: 730 16:44:36 -12.127944 0.058165 BFGS: 731 16:44:36 -12.128201 0.057693 BFGS: 732 16:44:37 -12.128456 0.057214 BFGS: 733 16:44:37 -12.128709 0.056729 BFGS: 734 16:44:37 -12.128960 0.056239 BFGS: 735 16:44:37 -12.129209 0.055744 BFGS: 736 16:44:37 -12.129457 0.055244 BFGS: 737 16:44:37 -12.129702 0.054739 BFGS: 738 16:44:37 -12.129946 0.054231 BFGS: 739 16:44:37 -12.130187 0.053718 BFGS: 740 16:44:37 -12.130427 0.053203 BFGS: 741 16:44:37 -12.130664 0.052684 BFGS: 742 16:44:37 -12.130899 0.052163 BFGS: 743 16:44:37 -12.131132 0.051640 BFGS: 744 16:44:37 -12.131363 0.051114 BFGS: 745 16:44:37 -12.131592 0.050588 BFGS: 746 16:44:37 -12.131818 0.050060 BFGS: 747 16:44:38 -12.132042 0.049532 BFGS: 748 16:44:38 -12.132264 0.049003 BFGS: 749 16:44:38 -12.132483 0.048474 BFGS: 750 16:44:38 -12.132701 0.047946 BFGS: 751 16:44:38 -12.132915 0.047418 BFGS: 752 16:44:38 -12.133128 0.046892 BFGS: 753 16:44:38 -12.133338 0.046367 BFGS: 754 16:44:38 -12.133546 0.045844 BFGS: 755 16:44:38 -12.133752 0.045324 BFGS: 756 16:44:38 -12.133955 0.044806 BFGS: 757 16:44:38 -12.134156 0.044291 BFGS: 758 16:44:38 -12.134355 0.043780 BFGS: 759 16:44:38 -12.134551 0.043273 BFGS: 760 16:44:38 -12.134745 0.042770 BFGS: 761 16:44:38 -12.134937 0.042273 BFGS: 762 16:44:38 -12.135126 0.041780 BFGS: 763 16:44:38 -12.135314 0.041293 BFGS: 764 16:44:38 -12.135499 0.040812 BFGS: 765 16:44:38 -12.135681 0.040338 BFGS: 766 16:44:38 -12.135862 0.039870 BFGS: 767 16:44:38 -12.136041 0.039409 BFGS: 768 16:44:38 -12.136217 0.038955 BFGS: 769 16:44:38 -12.136392 0.038509 BFGS: 770 16:44:38 -12.136564 0.038071 BFGS: 771 16:44:38 -12.136735 0.037640 BFGS: 772 16:44:38 -12.136903 0.037215 BFGS: 773 16:44:38 -12.137070 0.036798 BFGS: 774 16:44:38 -12.137235 0.036387 BFGS: 775 16:44:38 -12.137398 0.035982 BFGS: 776 16:44:38 -12.137559 0.035584 BFGS: 777 16:44:38 -12.137719 0.035192 BFGS: 778 16:44:39 -12.137877 0.034807 BFGS: 779 16:44:39 -12.138034 0.034427 BFGS: 780 16:44:39 -12.138188 0.034052 BFGS: 781 16:44:39 -12.138342 0.033682 BFGS: 782 16:44:39 -12.138493 0.033316 BFGS: 783 16:44:39 -12.138644 0.032952 BFGS: 784 16:44:39 -12.138792 0.032590 BFGS: 785 16:44:39 -12.138939 0.032230 BFGS: 786 16:44:39 -12.139085 0.031869 BFGS: 787 16:44:39 -12.139229 0.031509 BFGS: 788 16:44:39 -12.139371 0.031148 BFGS: 789 16:44:39 -12.139512 0.030786 BFGS: 790 16:44:39 -12.139651 0.030423 BFGS: 791 16:44:39 -12.139788 0.030058 BFGS: 792 16:44:39 -12.139924 0.029691 BFGS: 793 16:44:39 -12.140059 0.029323 BFGS: 794 16:44:39 -12.140192 0.028952 BFGS: 795 16:44:39 -12.140323 0.028579 BFGS: 796 16:44:39 -12.140452 0.028204 BFGS: 797 16:44:39 -12.140580 0.027827 BFGS: 798 16:44:39 -12.140707 0.027447 BFGS: 799 16:44:39 -12.140831 0.027064 BFGS: 800 16:44:40 -12.140954 0.026679 BFGS: 801 16:44:40 -12.141075 0.026291 BFGS: 802 16:44:40 -12.141195 0.025901 BFGS: 803 16:44:40 -12.141312 0.025508 BFGS: 804 16:44:40 -12.141428 0.025112 BFGS: 805 16:44:40 -12.141542 0.024714 BFGS: 806 16:44:40 -12.141655 0.024313 BFGS: 807 16:44:40 -12.141765 0.023910 BFGS: 808 16:44:40 -12.141874 0.023505 BFGS: 809 16:44:40 -12.141981 0.023097 BFGS: 810 16:44:40 -12.142086 0.022686 BFGS: 811 16:44:40 -12.142189 0.022274 BFGS: 812 16:44:40 -12.142291 0.021859 BFGS: 813 16:44:40 -12.142390 0.021442 BFGS: 814 16:44:40 -12.142488 0.021023 BFGS: 815 16:44:40 -12.142584 0.020603 BFGS: 816 16:44:40 -12.142678 0.020180 BFGS: 817 16:44:40 -12.142770 0.019756 BFGS: 818 16:44:40 -12.142860 0.019330 BFGS: 819 16:44:40 -12.142948 0.018903 BFGS: 820 16:44:40 -12.143034 0.018474 BFGS: 821 16:44:40 -12.143118 0.018045 BFGS: 822 16:44:40 -12.143200 0.017614 BFGS: 823 16:44:40 -12.143280 0.017182 BFGS: 824 16:44:40 -12.143359 0.016750 BFGS: 825 16:44:40 -12.143435 0.016317 BFGS: 826 16:44:41 -12.143509 0.015884 BFGS: 827 16:44:41 -12.143582 0.015450 BFGS: 828 16:44:41 -12.143652 0.015017 BFGS: 829 16:44:41 -12.143720 0.014583 BFGS: 830 16:44:41 -12.143787 0.014150 BFGS: 831 16:44:41 -12.143851 0.013717 BFGS: 832 16:44:41 -12.143914 0.013284 BFGS: 833 16:44:41 -12.143974 0.012853 BFGS: 834 16:44:41 -12.144033 0.012423 BFGS: 835 16:44:41 -12.144089 0.011993 BFGS: 836 16:44:41 -12.144144 0.011565 BFGS: 837 16:44:41 -12.144197 0.011139 BFGS: 838 16:44:41 -12.144248 0.010715 BFGS: 839 16:44:41 -12.144297 0.010292 BFGS: 840 16:44:41 -12.144344 0.009872 BFGS: 841 16:44:41 -12.144389 0.009454 BFGS: 842 16:44:41 -12.144433 0.009038 BFGS: 843 16:44:41 -12.144474 0.008626 BFGS: 844 16:44:41 -12.144514 0.008216 BFGS: 845 16:44:41 -12.144552 0.007809 BFGS: 846 16:44:41 -12.144589 0.007405 BFGS: 847 16:44:41 -12.144623 0.007005 BFGS: 848 16:44:41 -12.144656 0.006607 BFGS: 849 16:44:41 -12.144688 0.006213 BFGS: 850 16:44:41 -12.144718 0.005823 BFGS: 851 16:44:41 -12.144747 0.005435 BFGS: 852 16:44:41 -12.144774 0.005050 BFGS: 853 16:44:41 -12.144800 0.004667 BFGS: 854 16:44:41 -12.144825 0.004287 BFGS: 855 16:44:41 -12.144848 0.003907 BFGS: 856 16:44:41 -12.144872 0.003527 BFGS: 857 16:44:41 -12.144894 0.003145 BFGS: 858 16:44:42 -12.144917 0.002761 BFGS: 859 16:44:42 -12.144939 0.003240 BFGS: 860 16:44:42 -12.144961 0.003864 BFGS: 861 16:44:42 -12.144984 0.004508 BFGS: 862 16:44:42 -12.145007 0.005164 BFGS: 863 16:44:42 -12.145029 0.005825 BFGS: 864 16:44:42 -12.145052 0.006491 BFGS: 865 16:44:42 -12.145076 0.007164 BFGS: 866 16:44:42 -12.145100 0.007844 BFGS: 867 16:44:42 -12.145124 0.008532 BFGS: 868 16:44:42 -12.145150 0.009230 BFGS: 869 16:44:42 -12.145177 0.009938 BFGS: 870 16:44:42 -12.145205 0.010657 BFGS: 871 16:44:42 -12.145235 0.011387 BFGS: 872 16:44:42 -12.145267 0.012129 BFGS: 873 16:44:42 -12.145302 0.012882 BFGS: 874 16:44:42 -12.145340 0.013643 BFGS: 875 16:44:42 -12.145382 0.014411 BFGS: 876 16:44:42 -12.145428 0.015182 BFGS: 877 16:44:42 -12.145479 0.015951 BFGS: 878 16:44:42 -12.145535 0.016712 BFGS: 879 16:44:42 -12.145597 0.017456 BFGS: 880 16:44:42 -12.145666 0.018176 BFGS: 881 16:44:42 -12.145741 0.018862 BFGS: 882 16:44:42 -12.145824 0.019510 BFGS: 883 16:44:42 -12.145913 0.020110 BFGS: 884 16:44:42 -12.146010 0.020658 BFGS: 885 16:44:42 -12.146113 0.021149 BFGS: 886 16:44:42 -12.146222 0.021577 BFGS: 887 16:44:42 -12.146337 0.021939 BFGS: 888 16:44:42 -12.146457 0.022234 BFGS: 889 16:44:42 -12.146582 0.022461 BFGS: 890 16:44:42 -12.146710 0.022619 BFGS: 891 16:44:43 -12.146842 0.022711 BFGS: 892 16:44:43 -12.146975 0.022741 BFGS: 893 16:44:43 -12.147111 0.022715 BFGS: 894 16:44:43 -12.147247 0.022641 BFGS: 895 16:44:43 -12.147384 0.022532 BFGS: 896 16:44:43 -12.147522 0.022410 BFGS: 897 16:44:43 -12.147659 0.022307 BFGS: 898 16:44:43 -12.147796 0.022264 BFGS: 899 16:44:43 -12.147933 0.022292 BFGS: 900 16:44:43 -12.148070 0.022364 BFGS: 901 16:44:43 -12.148208 0.022445 BFGS: 902 16:44:43 -12.148347 0.022511 BFGS: 903 16:44:43 -12.148486 0.022552 BFGS: 904 16:44:43 -12.148625 0.022566 BFGS: 905 16:44:43 -12.148765 0.022552 BFGS: 906 16:44:43 -12.148905 0.022513 BFGS: 907 16:44:43 -12.149045 0.022452 BFGS: 908 16:44:43 -12.149184 0.022368 BFGS: 909 16:44:43 -12.149323 0.022262 BFGS: 910 16:44:43 -12.149462 0.022136 BFGS: 911 16:44:43 -12.149600 0.021992 BFGS: 912 16:44:43 -12.149738 0.021831 BFGS: 913 16:44:43 -12.149875 0.021653 BFGS: 914 16:44:43 -12.150011 0.021461 BFGS: 915 16:44:43 -12.150146 0.021254 BFGS: 916 16:44:43 -12.150280 0.021034 BFGS: 917 16:44:43 -12.150413 0.020801 BFGS: 918 16:44:43 -12.150545 0.020555 BFGS: 919 16:44:43 -12.150675 0.020298 BFGS: 920 16:44:43 -12.150804 0.020029 BFGS: 921 16:44:43 -12.150932 0.019750 BFGS: 922 16:44:43 -12.151058 0.019460 BFGS: 923 16:44:43 -12.151183 0.019160 BFGS: 924 16:44:43 -12.151306 0.018852 BFGS: 925 16:44:43 -12.151427 0.018534 BFGS: 926 16:44:43 -12.151547 0.018208 BFGS: 927 16:44:43 -12.151665 0.017875 BFGS: 928 16:44:43 -12.151780 0.017533 BFGS: 929 16:44:43 -12.151894 0.017185 BFGS: 930 16:44:43 -12.152006 0.016831 BFGS: 931 16:44:43 -12.152116 0.016470 BFGS: 932 16:44:43 -12.152224 0.016104 BFGS: 933 16:44:43 -12.152329 0.015733 BFGS: 934 16:44:43 -12.152433 0.015357 BFGS: 935 16:44:43 -12.152534 0.014977 BFGS: 936 16:44:43 -12.152633 0.014593 BFGS: 937 16:44:43 -12.152729 0.014205 BFGS: 938 16:44:43 -12.152824 0.013815 BFGS: 939 16:44:43 -12.152916 0.013421 BFGS: 940 16:44:43 -12.153005 0.013026 BFGS: 941 16:44:43 -12.153092 0.012629 BFGS: 942 16:44:43 -12.153177 0.012231 BFGS: 943 16:44:43 -12.153259 0.011832 BFGS: 944 16:44:43 -12.153339 0.011433 BFGS: 945 16:44:43 -12.153416 0.011034 BFGS: 946 16:44:43 -12.153491 0.010635 BFGS: 947 16:44:44 -12.153563 0.010236 BFGS: 948 16:44:44 -12.153632 0.009839 BFGS: 949 16:44:44 -12.153700 0.009444 BFGS: 950 16:44:44 -12.153764 0.009051 BFGS: 951 16:44:44 -12.153826 0.008661 BFGS: 952 16:44:44 -12.153886 0.008273 BFGS: 953 16:44:44 -12.153943 0.007889 BFGS: 954 16:44:44 -12.153998 0.007508 BFGS: 955 16:44:44 -12.154050 0.007132 BFGS: 956 16:44:44 -12.154100 0.006761 BFGS: 957 16:44:44 -12.154147 0.006394 BFGS: 958 16:44:44 -12.154192 0.006033 BFGS: 959 16:44:44 -12.154234 0.005678 BFGS: 960 16:44:44 -12.154274 0.005330 BFGS: 961 16:44:44 -12.154312 0.004988 BFGS: 962 16:44:44 -12.154348 0.004653 BFGS: 963 16:44:44 -12.154381 0.004327 BFGS: 964 16:44:44 -12.154412 0.004008 BFGS: 965 16:44:44 -12.154441 0.003698 BFGS: 966 16:44:44 -12.154468 0.003397 BFGS: 967 16:44:44 -12.154493 0.003105 BFGS: 968 16:44:44 -12.154515 0.002823 BFGS: 969 16:44:44 -12.154536 0.002552 BFGS: 970 16:44:44 -12.154555 0.002291 BFGS: 971 16:44:44 -12.154572 0.002042 BFGS: 972 16:44:44 -12.154588 0.001805 BFGS: 973 16:44:44 -12.154601 0.001580 BFGS: 974 16:44:44 -12.154613 0.001367 BFGS: 975 16:44:44 -12.154624 0.001168 BFGS: 976 16:44:44 -12.154633 0.000983 BFGS: 977 16:44:44 -12.154641 0.000811 BFGS: 978 16:44:44 -12.154648 0.000654 BFGS: 979 16:44:44 -12.154653 0.000513 BFGS: 980 16:44:44 -12.154657 0.000387 BFGS: 981 16:44:44 -12.154661 0.000277 BFGS: 982 16:44:44 -12.154663 0.000184 BFGS: 983 16:44:44 -12.154665 0.000125 BFGS: 984 16:44:44 -12.154667 0.000132 BFGS: 985 16:44:44 -12.154667 0.000134 BFGS: 986 16:44:44 -12.154668 0.000113 BFGS: 987 16:44:44 -12.154668 0.000077 BFGS: 988 16:44:44 -12.154668 0.000044 BFGS: 989 16:44:44 -12.154668 0.000017 BFGS: 990 16:44:44 -12.154668 0.000004 BFGS: 991 16:44:44 -12.154668 0.000010 BFGS: 992 16:44:44 -12.154668 0.000012 BFGS: 993 16:44:44 -12.154668 0.000011 BFGS: 994 16:44:44 -12.154668 0.000006 BFGS: 995 16:44:44 -12.154668 0.000001 BFGS: 996 16:44:44 -12.154668 0.000000 BFGS: 997 16:44:44 -12.154668 0.000001 BFGS: 998 16:44:44 -12.154668 0.000002 BFGS: 999 16:44:44 -12.154668 0.000003 BFGS: 1000 16:44:44 -12.154668 0.000003 BFGS: 1001 16:44:44 -12.154668 0.000000 BFGS: 1002 16:44:44 -12.154668 0.000000 BFGS: 1003 16:44:44 -12.154668 0.000000 BFGS: 1004 16:44:44 -12.154668 0.000000 BFGS: 1005 16:44:44 -12.154668 0.000000 Minimization converged after 1005 steps. Maximum force component: 1.8575234811084355e-09 eV/Angstrom Maximum stress component: 3.7242454316797586e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'W', 'W'] basis = [[2.50000000e-01 4.60016819e-01 7.77599064e-01] [7.50000000e-01 5.39983181e-01 7.77599064e-01] [1.00000000e+00 8.49414129e-01 9.48272798e-01] [2.13101125e-11 1.50585871e-01 9.48272798e-01] [5.00000000e-01 1.50585871e-01 9.48272798e-01] [5.00000000e-01 8.49414129e-01 9.48272798e-01] [1.00000000e+00 3.16553623e-01 7.68881177e-02] [5.77935695e-11 6.83446377e-01 7.68881177e-02] [5.00000000e-01 6.83446377e-01 7.68881177e-02] [5.00000000e-01 3.16553623e-01 7.68881177e-02] [2.50000000e-01 1.49839177e-10 9.43599113e-01] [7.50000000e-01 1.00000000e+00 9.43599113e-01]] cellpar = Cell([5.275050751544099, 17.963103742870185, 2.6387326668806312]) forces = [[-1.98425355e-36 -1.43551922e-09 4.39919645e-10] [ 9.92126777e-37 1.43551922e-09 4.39919645e-10] [ 9.96377945e-11 1.13976387e-09 -1.29747169e-10] [-9.96377945e-11 -1.13976387e-09 -1.29747169e-10] [ 9.96377945e-11 -1.13976387e-09 -1.29747169e-10] [-9.96377945e-11 1.13976387e-09 -1.29747169e-10] [ 6.37501195e-10 1.85752348e-09 -9.02126542e-11] [-6.37501195e-10 -1.85752348e-09 -9.02126542e-11] [ 6.37501195e-10 -1.85752348e-09 -9.02126542e-11] [-6.37501195e-10 1.85752348e-09 -9.02126542e-11] [ 0.00000000e+00 -1.18336352e-09 -6.93889390e-18] [ 0.00000000e+00 1.18336352e-09 -6.93889390e-18]] stress = [-2.31225996e-10 -2.47687853e-11 -3.72424543e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -1.0128889855811483 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0