element(s): ['S'] AFLOW prototype label: A_mP28_14_7e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.8037', '0.77601192', '0.96535446', '97.3409', '0.37273041', '0.1912782', '0.55547686', '0.44767069', '0.37878627', '0.66514659', '0.22341489', '0.11024227', '0.63961418', '0.31827724', '0.56674086', '0.6096735', '0.084837467', '0.28772778', '0.58497939', '0.22067413', '0.60142018', '0.75529584', '0.069101214', '0.41862764', '0.73995732'] model name: Sim_LAMMPS_ReaxFF_IslamOstadhosseinBorodin_2015_LiS__SM_058492438145_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S'] representative atom coordinates = [[0.62726959 0.1912782 0.07179273] [0.55232931 0.37878627 0.88718272] [0.77658511 0.11024227 0.13697093] [0.68172276 0.56674086 0.07204926] [0.91516253 0.28772778 0.33018314] [0.77932587 0.60142018 0.02403003] [0.93089879 0.41862764 0.19094147]] spacegroup = 14 cell = [[15.9464, 0, 0], [0, 8.3838, 0], [-7.7239828817714, 0, 7.0080291667559]] ========================================= Step Time Energy fmax BFGS: 0 16:23:16 -71.754468 2.9295 BFGS: 1 16:23:16 -74.664015 3.1269 BFGS: 2 16:23:16 -77.991319 2.7472 BFGS: 3 16:23:16 -77.826180 3.3184 BFGS: 4 16:23:16 -78.085985 2.9220 BFGS: 5 16:23:16 -77.787059 3.9345 BFGS: 6 16:23:16 -78.698385 2.8465 BFGS: 7 16:23:16 -77.789524 2.6227 BFGS: 8 16:23:16 -78.323059 2.6456 BFGS: 9 16:23:17 -78.208887 3.7642 BFGS: 10 16:23:17 -78.916859 1.9339 BFGS: 11 16:23:17 -78.935749 2.1639 BFGS: 12 16:23:17 -79.107237 1.1151 BFGS: 13 16:23:17 -79.139790 1.2382 BFGS: 14 16:23:17 -79.203858 0.4968 BFGS: 15 16:23:17 -79.238339 0.9610 BFGS: 16 16:23:17 -79.269750 0.4166 BFGS: 17 16:23:17 -79.277911 0.2269 BFGS: 18 16:23:17 -79.279198 0.1376 BFGS: 19 16:23:17 -79.280484 0.1300 BFGS: 20 16:23:17 -79.285507 0.1385 BFGS: 21 16:23:17 -79.288975 0.1371 BFGS: 22 16:23:17 -79.296315 0.1584 BFGS: 23 16:23:17 -79.300405 0.1748 BFGS: 24 16:23:17 -79.307286 0.1494 BFGS: 25 16:23:17 -79.316452 0.1959 BFGS: 26 16:23:17 -79.325969 0.2462 BFGS: 27 16:23:17 -79.336025 0.2733 BFGS: 28 16:23:17 -79.346414 0.2876 BFGS: 29 16:23:17 -79.356949 0.2948 BFGS: 30 16:23:17 -79.367345 0.2996 BFGS: 31 16:23:17 -79.378136 0.3013 BFGS: 32 16:23:17 -79.388562 0.3001 BFGS: 33 16:23:17 -79.398799 0.2994 BFGS: 34 16:23:17 -79.408911 0.2993 BFGS: 35 16:23:17 -79.419064 0.2999 BFGS: 36 16:23:17 -79.428710 0.3020 BFGS: 37 16:23:17 -79.438583 0.3057 BFGS: 38 16:23:17 -79.448583 0.3051 BFGS: 39 16:23:17 -79.458490 0.3120 BFGS: 40 16:23:17 -79.468424 0.3216 BFGS: 41 16:23:17 -79.478467 0.3324 BFGS: 42 16:23:17 -79.488665 0.3359 BFGS: 43 16:23:17 -79.499777 0.3374 BFGS: 44 16:23:17 -79.511109 0.3442 BFGS: 45 16:23:17 -79.522333 0.3481 BFGS: 46 16:23:17 -79.533591 0.3536 BFGS: 47 16:23:17 -79.544937 0.3597 BFGS: 48 16:23:17 -79.555896 0.3698 BFGS: 49 16:23:17 -79.569257 0.3732 BFGS: 50 16:23:17 -79.581953 0.3754 BFGS: 51 16:23:17 -79.594947 0.3794 BFGS: 52 16:23:17 -79.607956 0.3953 BFGS: 53 16:23:17 -79.621600 0.4018 BFGS: 54 16:23:17 -79.636366 0.4181 BFGS: 55 16:23:17 -79.650566 0.4395 BFGS: 56 16:23:17 -79.665373 0.4541 BFGS: 57 16:23:18 -79.681599 0.4644 BFGS: 58 16:23:18 -79.697133 0.4772 BFGS: 59 16:23:18 -79.714287 0.4791 BFGS: 60 16:23:18 -79.730415 0.4941 BFGS: 61 16:23:18 -79.751684 0.4566 BFGS: 62 16:23:18 -79.768959 0.4803 BFGS: 63 16:23:18 -79.787958 0.4812 BFGS: 64 16:23:18 -79.806259 0.4830 BFGS: 65 16:23:18 -79.828043 0.4515 BFGS: 66 16:23:18 -79.848117 0.4525 BFGS: 67 16:23:18 -79.871819 0.4160 BFGS: 68 16:23:18 -79.891645 0.4178 BFGS: 69 16:23:18 -79.915856 0.3704 BFGS: 70 16:23:18 -79.941068 0.3658 BFGS: 71 16:23:18 -79.963355 0.3343 BFGS: 72 16:23:18 -79.983195 0.3021 BFGS: 73 16:23:18 -80.005578 0.2924 BFGS: 74 16:23:18 -80.023810 0.2064 BFGS: 75 16:23:18 -80.038306 0.3906 BFGS: 76 16:23:18 -80.037757 0.2304 BFGS: 77 16:23:18 -80.054664 0.1351 BFGS: 78 16:23:18 -80.059604 0.1008 BFGS: 79 16:23:18 -80.059000 0.0922 BFGS: 80 16:23:18 -80.061888 0.1750 BFGS: 81 16:23:18 -80.067491 0.2485 BFGS: 82 16:23:18 -80.081787 0.3993 BFGS: 83 16:23:18 -80.091686 0.4498 BFGS: 84 16:23:18 -80.105326 0.4476 BFGS: 85 16:23:18 -80.116467 0.4196 BFGS: 86 16:23:18 -80.126678 0.3497 BFGS: 87 16:23:18 -80.134821 0.3006 BFGS: 88 16:23:18 -80.142243 0.2079 BFGS: 89 16:23:18 -80.148280 0.2093 BFGS: 90 16:23:18 -80.153362 0.2039 BFGS: 91 16:23:18 -80.156806 0.2588 BFGS: 92 16:23:18 -80.160826 0.3292 BFGS: 93 16:23:18 -80.163415 0.3830 BFGS: 94 16:23:18 -80.163451 0.4012 BFGS: 95 16:23:18 -80.172449 0.3680 BFGS: 96 16:23:18 -80.181591 0.2419 BFGS: 97 16:23:18 -80.193877 0.2417 BFGS: 98 16:23:18 -80.198383 0.2230 BFGS: 99 16:23:18 -80.210679 0.3943 BFGS: 100 16:23:18 -80.225772 0.3851 BFGS: 101 16:23:18 -80.232729 0.3227 BFGS: 102 16:23:19 -80.241014 0.2565 BFGS: 103 16:23:19 -80.252970 0.2159 BFGS: 104 16:23:19 -80.263162 0.1779 BFGS: 105 16:23:19 -80.275936 0.1586 BFGS: 106 16:23:19 -80.284213 0.1449 BFGS: 107 16:23:19 -80.291098 0.1374 BFGS: 108 16:23:19 -80.297113 0.2135 BFGS: 109 16:23:19 -80.302669 0.1906 BFGS: 110 16:23:19 -80.308424 0.1861 BFGS: 111 16:23:19 -80.314644 0.1936 BFGS: 112 16:23:19 -80.318586 0.1342 BFGS: 113 16:23:19 -80.321998 0.1183 BFGS: 114 16:23:19 -80.326095 0.1573 BFGS: 115 16:23:19 -80.330675 0.2032 BFGS: 116 16:23:19 -80.333456 0.2953 BFGS: 117 16:23:19 -80.338766 0.3066 BFGS: 118 16:23:19 -80.347371 0.1890 BFGS: 119 16:23:19 -80.354048 0.1575 BFGS: 120 16:23:19 -80.360897 0.2288 BFGS: 121 16:23:19 -80.367771 0.2158 BFGS: 122 16:23:19 -80.373097 0.2126 BFGS: 123 16:23:19 -80.376260 0.1701 BFGS: 124 16:23:19 -80.377910 0.1721 BFGS: 125 16:23:19 -80.378905 0.0483 BFGS: 126 16:23:19 -80.379699 0.0533 BFGS: 127 16:23:19 -80.382202 0.0592 BFGS: 128 16:23:19 -80.382771 0.0531 BFGS: 129 16:23:19 -80.383317 0.0688 BFGS: 130 16:23:19 -80.384381 0.0953 BFGS: 131 16:23:19 -80.385225 0.1155 BFGS: 132 16:23:19 -80.386583 0.1233 BFGS: 133 16:23:19 -80.387910 0.1397 BFGS: 134 16:23:19 -80.389777 0.1726 BFGS: 135 16:23:19 -80.391286 0.0686 BFGS: 136 16:23:19 -80.392187 0.0617 BFGS: 137 16:23:19 -80.392913 0.0433 BFGS: 138 16:23:19 -80.394051 0.0475 BFGS: 139 16:23:19 -80.395098 0.0711 BFGS: 140 16:23:19 -80.396982 0.1027 BFGS: 141 16:23:19 -80.399031 0.0811 BFGS: 142 16:23:19 -80.399940 0.0594 BFGS: 143 16:23:20 -80.400749 0.0767 BFGS: 144 16:23:20 -80.401521 0.0599 BFGS: 145 16:23:20 -80.402299 0.0679 BFGS: 146 16:23:20 -80.402867 0.0424 BFGS: 147 16:23:20 -80.404424 0.0763 BFGS: 148 16:23:20 -80.403256 0.1396 BFGS: 149 16:23:20 -80.406057 0.1697 BFGS: 150 16:23:20 -80.409106 0.1915 BFGS: 151 16:23:20 -80.413020 0.1949 BFGS: 152 16:23:20 -80.416522 0.1895 BFGS: 153 16:23:20 -80.420290 0.1824 BFGS: 154 16:23:20 -80.424026 0.1725 BFGS: 155 16:23:20 -80.427718 0.1642 BFGS: 156 16:23:20 -80.431342 0.1554 BFGS: 157 16:23:20 -80.436206 0.1493 BFGS: 158 16:23:20 -80.439738 0.1270 BFGS: 159 16:23:20 -80.442888 0.1184 BFGS: 160 16:23:20 -80.445761 0.1129 BFGS: 161 16:23:20 -80.448430 0.1118 BFGS: 162 16:23:20 -80.450869 0.1105 BFGS: 163 16:23:20 -80.453552 0.0983 BFGS: 164 16:23:20 -80.455918 0.1214 BFGS: 165 16:23:20 -80.458297 0.1176 BFGS: 166 16:23:20 -80.459401 0.1249 BFGS: 167 16:23:20 -80.454816 0.1213 BFGS: 168 16:23:20 -80.460769 0.0816 BFGS: 169 16:23:20 -80.463483 0.0912 BFGS: 170 16:23:20 -80.468365 0.0909 BFGS: 171 16:23:20 -80.467521 0.1647 BFGS: 172 16:23:20 -80.472038 0.2580 BFGS: 173 16:23:20 -80.483095 0.1535 BFGS: 174 16:23:20 -80.484890 0.0948 BFGS: 175 16:23:20 -80.485068 0.0337 BFGS: 176 16:23:20 -80.485604 0.0321 BFGS: 177 16:23:20 -80.485881 0.0261 BFGS: 178 16:23:20 -80.486184 0.0539 BFGS: 179 16:23:20 -80.492510 0.0705 BFGS: 180 16:23:20 -80.487192 0.0534 BFGS: 181 16:23:20 -80.487723 0.0411 BFGS: 182 16:23:20 -80.488572 0.0362 BFGS: 183 16:23:21 -80.489303 0.0419 BFGS: 184 16:23:21 -80.495964 0.0610 BFGS: 185 16:23:21 -80.496744 0.0515 BFGS: 186 16:23:21 -80.497614 0.0349 BFGS: 187 16:23:21 -80.497989 0.0257 BFGS: 188 16:23:21 -80.497875 0.0301 BFGS: 189 16:23:21 -80.498051 0.0232 BFGS: 190 16:23:21 -80.498183 0.0179 BFGS: 191 16:23:21 -80.498111 0.0113 BFGS: 192 16:23:21 -80.498125 0.0090 BFGS: 193 16:23:21 -80.498153 0.0113 BFGS: 194 16:23:21 -80.498222 0.0287 BFGS: 195 16:23:21 -80.498338 0.0223 BFGS: 196 16:23:21 -80.491205 0.0398 BFGS: 197 16:23:21 -80.498167 0.0114 BFGS: 198 16:23:21 -80.498334 0.0139 BFGS: 199 16:23:21 -80.498435 0.0286 BFGS: 200 16:23:21 -80.492778 0.0315 BFGS: 201 16:23:21 -80.498912 0.0378 BFGS: 202 16:23:21 -80.493327 0.0521 BFGS: 203 16:23:21 -80.499683 0.0407 BFGS: 204 16:23:21 -80.499880 0.0193 BFGS: 205 16:23:21 -80.500046 0.0170 BFGS: 206 16:23:21 -80.494192 0.0176 BFGS: 207 16:23:21 -80.500232 0.0212 BFGS: 208 16:23:21 -80.500282 0.0094 BFGS: 209 16:23:21 -80.500326 0.0092 BFGS: 210 16:23:21 -80.494424 0.0172 BFGS: 211 16:23:21 -80.500333 0.0086 BFGS: 212 16:23:21 -80.500361 0.0072 BFGS: 213 16:23:21 -80.500360 0.0080 BFGS: 214 16:23:21 -80.500381 0.0080 BFGS: 215 16:23:21 -80.500404 0.0088 BFGS: 216 16:23:21 -80.500434 0.0086 BFGS: 217 16:23:21 -80.500466 0.0102 BFGS: 218 16:23:21 -80.494581 0.0188 BFGS: 219 16:23:21 -80.500503 0.0134 BFGS: 220 16:23:21 -80.500597 0.0119 BFGS: 221 16:23:22 -80.494741 0.0220 BFGS: 222 16:23:22 -80.500760 0.0124 BFGS: 223 16:23:22 -80.501321 0.0126 BFGS: 224 16:23:22 -80.501045 0.0245 BFGS: 225 16:23:22 -80.501564 0.0137 BFGS: 226 16:23:22 -80.501189 0.0231 BFGS: 227 16:23:22 -80.501325 0.0105 BFGS: 228 16:23:22 -80.501345 0.0194 BFGS: 229 16:23:22 -80.501277 0.0083 BFGS: 230 16:23:22 -80.501299 0.0081 BFGS: 231 16:23:22 -80.501429 0.0073 BFGS: 232 16:23:22 -80.492965 0.0734 BFGS: 233 16:23:22 -80.501336 0.0083 BFGS: 234 16:23:22 -80.495163 0.0140 BFGS: 235 16:23:22 -80.495475 0.0232 BFGS: 236 16:23:22 -80.501445 0.0129 BFGS: 237 16:23:22 -80.501471 0.0089 BFGS: 238 16:23:22 -80.501482 0.0088 BFGS: 239 16:23:22 -80.501285 0.0081 BFGS: 240 16:23:22 -80.501395 0.0063 BFGS: 241 16:23:22 -80.495230 0.0186 BFGS: 242 16:23:22 -80.495426 0.0200 BFGS: 243 16:23:22 -80.499964 0.0270 BFGS: 244 16:23:22 -80.501384 0.0068 BFGS: 245 16:23:22 -80.495513 0.0184 BFGS: 246 16:23:22 -80.501473 0.0059 BFGS: 247 16:23:22 -80.501016 0.0112 BFGS: 248 16:23:22 -80.501375 0.0063 BFGS: 249 16:23:22 -80.501464 0.0056 BFGS: 250 16:23:22 -80.501410 0.0052 BFGS: 251 16:23:22 -80.501498 0.0045 BFGS: 252 16:23:22 -80.495697 0.0216 BFGS: 253 16:23:22 -80.495554 0.0193 BFGS: 254 16:23:22 -80.501463 0.0048 BFGS: 255 16:23:22 -80.501428 0.0052 BFGS: 256 16:23:22 -80.495574 0.0176 BFGS: 257 16:23:22 -80.501612 0.0095 BFGS: 258 16:23:22 -80.501476 0.0054 BFGS: 259 16:23:22 -80.501543 0.0029 BFGS: 260 16:23:22 -80.501546 0.0025 BFGS: 261 16:23:23 -80.501675 0.0062 BFGS: 262 16:23:23 -80.495529 0.0230 BFGS: 263 16:23:23 -80.501495 0.0046 BFGS: 264 16:23:23 -80.501567 0.0042 BFGS: 265 16:23:23 -80.501590 0.0055 BFGS: 266 16:23:23 -80.501618 0.0064 BFGS: 267 16:23:23 -80.501630 0.0054 BFGS: 268 16:23:23 -80.501808 0.0055 BFGS: 269 16:23:23 -80.501653 0.0033 BFGS: 270 16:23:23 -80.501662 0.0029 BFGS: 271 16:23:23 -80.501725 0.0075 BFGS: 272 16:23:23 -80.501761 0.0062 BFGS: 273 16:23:23 -80.501636 0.0054 BFGS: 274 16:23:23 -80.501616 0.0047 BFGS: 275 16:23:23 -80.501777 0.0063 BFGS: 276 16:23:23 -80.501788 0.0057 BFGS: 277 16:23:23 -80.501577 0.0082 BFGS: 278 16:23:23 -80.501667 0.0047 BFGS: 279 16:23:23 -80.501704 0.0131 BFGS: 280 16:23:23 -80.501632 0.0050 BFGS: 281 16:23:23 -80.501636 0.0055 BFGS: 282 16:23:23 -80.501792 0.0101 BFGS: 283 16:23:23 -80.501932 0.0053 BFGS: 284 16:23:23 -80.501416 0.0118 BFGS: 285 16:23:23 -80.501649 0.0048 BFGS: 286 16:23:23 -80.501742 0.0110 BFGS: 287 16:23:23 -80.501795 0.0056 BFGS: 288 16:23:23 -80.501390 0.0118 BFGS: 289 16:23:23 -80.501660 0.0049 BFGS: 290 16:23:23 -80.501729 0.0112 BFGS: 291 16:23:23 -80.501938 0.0051 BFGS: 292 16:23:23 -80.500647 0.0597 BFGS: 293 16:23:23 -80.501560 0.0113 BFGS: 294 16:23:23 -80.501710 0.0155 BFGS: 295 16:23:23 -80.501870 0.0048 BFGS: 296 16:23:23 -80.501508 0.0128 BFGS: 297 16:23:23 -80.501673 0.0052 BFGS: 298 16:23:23 -80.501712 0.0101 BFGS: 299 16:23:23 -80.501866 0.0067 BFGS: 300 16:23:23 -80.500788 0.0213 BFGS: 301 16:23:23 -80.501615 0.0064 BFGS: 302 16:23:24 -80.501808 0.0156 BFGS: 303 16:23:24 -80.501708 0.0027 BFGS: 304 16:23:24 -80.501768 0.0065 BFGS: 305 16:23:24 -80.501867 0.0049 BFGS: 306 16:23:24 -80.501603 0.0139 BFGS: 307 16:23:24 -80.501689 0.0051 BFGS: 308 16:23:24 -80.501768 0.0105 BFGS: 309 16:23:24 -80.501797 0.0060 BFGS: 310 16:23:24 -80.501472 0.0529 BFGS: 311 16:23:24 -80.501575 0.0120 BFGS: 312 16:23:24 -80.501700 0.0274 BFGS: 313 16:23:24 -80.501783 0.0119 BFGS: 314 16:23:24 -80.501638 0.0075 BFGS: 315 16:23:24 -80.501690 0.0042 BFGS: 316 16:23:24 -80.501680 0.0103 BFGS: 317 16:23:24 -80.501774 0.0071 BFGS: 318 16:23:24 -80.501373 0.0189 BFGS: 319 16:23:24 -80.501672 0.0056 BFGS: 320 16:23:24 -80.501690 0.0083 BFGS: 321 16:23:24 -80.501839 0.0054 BFGS: 322 16:23:24 -80.499319 0.0378 BFGS: 323 16:23:24 -80.501666 0.0075 BFGS: 324 16:23:24 -80.501702 0.0093 BFGS: 325 16:23:24 -80.501849 0.0050 BFGS: 326 16:23:24 -80.501496 0.0515 BFGS: 327 16:23:24 -80.501624 0.0114 BFGS: 328 16:23:24 -80.501819 0.0156 BFGS: 329 16:23:24 -80.501845 0.0049 BFGS: 330 16:23:24 -80.501539 0.0119 BFGS: 331 16:23:24 -80.501700 0.0046 BFGS: 332 16:23:24 -80.501758 0.0098 BFGS: 333 16:23:24 -80.501848 0.0048 BFGS: 334 16:23:24 -80.501611 0.0092 BFGS: 335 16:23:24 -80.501707 0.0042 BFGS: 336 16:23:24 -80.501770 0.0081 BFGS: 337 16:23:24 -80.501845 0.0051 BFGS: 338 16:23:24 -80.501629 0.0086 BFGS: 339 16:23:24 -80.501712 0.0042 BFGS: 340 16:23:24 -80.501700 0.0067 BFGS: 341 16:23:24 -80.501840 0.0053 BFGS: 342 16:23:25 -80.494412 0.0938 BFGS: 343 16:23:25 -80.501847 0.0116 BFGS: 344 16:23:25 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16:26:40 -80.495803 0.0256 BFGS: 6716 16:26:40 -80.501800 0.0062 BFGS: 6717 16:26:40 -80.501829 0.0078 BFGS: 6718 16:26:40 -80.501946 0.0062 BFGS: 6719 16:26:40 -80.495309 0.0307 BFGS: 6720 16:26:40 -80.501657 0.0093 BFGS: 6721 16:26:40 -80.501732 0.0113 BFGS: 6722 16:26:40 -80.501938 0.0064 BFGS: 6723 16:26:40 -80.501064 0.0281 BFGS: 6724 16:26:40 -80.495699 0.0263 BFGS: 6725 16:26:40 -80.501656 0.0144 BFGS: 6726 16:26:40 -80.501941 0.0064 BFGS: 6727 16:26:40 -80.495631 0.0241 BFGS: 6728 16:26:40 -80.501658 0.0090 BFGS: 6729 16:26:40 -80.501277 0.0226 BFGS: 6730 16:26:40 -80.501906 0.0067 BFGS: 6731 16:26:40 -80.495773 0.0262 BFGS: 6732 16:26:40 -80.501808 0.0058 BFGS: 6733 16:26:40 -80.501828 0.0080 BFGS: 6734 16:26:40 -80.501943 0.0063 BFGS: 6735 16:26:40 -80.495414 0.0307 BFGS: 6736 16:26:40 -80.501660 0.0089 BFGS: 6737 16:26:40 -80.501648 0.0150 BFGS: 6738 16:26:41 -80.501942 0.0063 BFGS: 6739 16:26:41 -80.495659 0.0239 BFGS: 6740 16:26:41 -80.501659 0.0087 BFGS: 6741 16:26:41 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16:26:43 -80.495704 0.0253 BFGS: 6821 16:26:43 -80.501735 0.0101 BFGS: 6822 16:26:43 -80.501936 0.0065 BFGS: 6823 16:26:43 -80.500841 0.0322 BFGS: 6824 16:26:43 -80.495701 0.0252 BFGS: 6825 16:26:43 -80.501753 0.0095 BFGS: 6826 16:26:43 -80.501939 0.0065 BFGS: 6827 16:26:43 -80.500182 0.0390 BFGS: 6828 16:26:43 -80.495695 0.0252 BFGS: 6829 16:26:43 -80.501777 0.0088 BFGS: 6830 16:26:43 -80.501944 0.0063 BFGS: 6831 16:26:43 -80.501966 0.0547 BFGS: 6832 16:26:43 -80.495654 0.0238 BFGS: 6833 16:26:43 -80.501771 0.0089 BFGS: 6834 16:26:43 -80.501780 0.0055 BFGS: 6835 16:26:43 -80.501908 0.0064 BFGS: 6836 16:26:43 -80.501942 0.0063 BFGS: 6837 16:26:43 -80.501948 0.0535 BFGS: 6838 16:26:43 -80.495655 0.0239 BFGS: 6839 16:26:43 -80.501772 0.0087 BFGS: 6840 16:26:43 -80.501780 0.0054 BFGS: 6841 16:26:43 -80.501908 0.0064 BFGS: 6842 16:26:43 -80.501942 0.0063 BFGS: 6843 16:26:43 -80.501912 0.0533 BFGS: 6844 16:26:43 -80.495849 0.0241 BFGS: 6845 16:26:43 -80.501766 0.0087 BFGS: 6846 16:26:43 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-80.499405 0.0434 BFGS: 7372 16:26:56 -80.495682 0.0265 BFGS: 7373 16:26:56 -80.501779 0.0096 BFGS: 7374 16:26:56 -80.501777 0.0059 BFGS: 7375 16:26:56 -80.501917 0.0071 BFGS: 7376 16:26:56 -80.501939 0.0064 BFGS: 7377 16:26:56 -80.495795 0.0258 BFGS: 7378 16:26:56 -80.501721 0.0063 BFGS: 7379 16:26:56 -80.501822 0.0082 BFGS: 7380 16:26:56 -80.501943 0.0063 BFGS: 7381 16:26:56 -80.494894 0.0315 BFGS: 7382 16:26:56 -80.501647 0.0096 BFGS: 7383 16:26:56 -80.501761 0.0105 BFGS: 7384 16:26:56 -80.501943 0.0062 BFGS: 7385 16:26:56 -80.493760 0.0406 BFGS: 7386 16:26:56 -80.495685 0.0264 BFGS: 7387 16:26:56 -80.501775 0.0098 BFGS: 7388 16:26:57 -80.501944 0.0063 BFGS: 7389 16:26:57 -80.502064 0.0512 BFGS: 7390 16:26:57 -80.495837 0.0252 BFGS: 7391 16:26:57 -80.501746 0.0106 BFGS: 7392 16:26:57 -80.501943 0.0064 BFGS: 7393 16:26:57 -80.494797 0.0320 BFGS: 7394 16:26:57 -80.501645 0.0097 BFGS: 7395 16:26:57 -80.501765 0.0101 BFGS: 7396 16:26:57 -80.501944 0.0062 BFGS: 7397 16:26:57 -80.499342 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16:27:14 -80.495830 0.0177 BFGS: 8081 16:27:14 -80.501905 0.0068 BFGS: 8082 16:27:14 -80.501639 0.0070 BFGS: 8083 16:27:14 -80.501686 0.0068 BFGS: 8084 16:27:14 -80.494190 0.0372 BFGS: 8085 16:27:14 -80.496133 0.0194 BFGS: 8086 16:27:14 -80.501632 0.0074 BFGS: 8087 16:27:14 -80.501671 0.0071 BFGS: 8088 16:27:14 -80.494234 0.0352 BFGS: 8089 16:27:14 -80.496135 0.0196 BFGS: 8090 16:27:14 -80.501631 0.0075 BFGS: 8091 16:27:14 -80.501747 0.0072 BFGS: 8092 16:27:14 -80.494222 0.0351 BFGS: 8093 16:27:14 -80.496135 0.0197 BFGS: 8094 16:27:14 -80.501631 0.0075 BFGS: 8095 16:27:14 -80.501747 0.0072 BFGS: 8096 16:27:14 -80.494209 0.0351 BFGS: 8097 16:27:14 -80.496134 0.0197 BFGS: 8098 16:27:14 -80.501632 0.0076 BFGS: 8099 16:27:14 -80.501747 0.0073 BFGS: 8100 16:27:14 -80.494197 0.0352 BFGS: 8101 16:27:14 -80.496134 0.0197 BFGS: 8102 16:27:14 -80.501632 0.0077 BFGS: 8103 16:27:14 -80.501748 0.0073 BFGS: 8104 16:27:14 -80.494184 0.0353 BFGS: 8105 16:27:14 -80.496134 0.0197 BFGS: 8106 16:27:14 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8684 16:27:28 -80.501661 0.0268 BFGS: 8685 16:27:28 -80.495923 0.0212 BFGS: 8686 16:27:28 -80.496096 0.0190 BFGS: 8687 16:27:29 -80.501132 0.0773 BFGS: 8688 16:27:29 -80.501657 0.0269 BFGS: 8689 16:27:29 -80.495775 0.0345 BFGS: 8690 16:27:29 -80.496071 0.0187 BFGS: 8691 16:27:29 -80.501665 0.0411 BFGS: 8692 16:27:29 -80.501694 0.0220 BFGS: 8693 16:27:29 -80.494020 0.1265 BFGS: 8694 16:27:29 -80.496036 0.0182 BFGS: 8695 16:27:29 -80.501701 0.0370 BFGS: 8696 16:27:29 -80.501696 0.0224 BFGS: 8697 16:27:29 -80.494007 0.1260 BFGS: 8698 16:27:29 -80.496035 0.0182 BFGS: 8699 16:27:29 -80.501702 0.0370 BFGS: 8700 16:27:29 -80.501696 0.0227 BFGS: 8701 16:27:29 -80.494009 0.1254 BFGS: 8702 16:27:29 -80.496034 0.0182 BFGS: 8703 16:27:29 -80.501702 0.0371 BFGS: 8704 16:27:29 -80.501696 0.0228 BFGS: 8705 16:27:29 -80.494011 0.1251 BFGS: 8706 16:27:29 -80.495994 0.0182 BFGS: 8707 16:27:29 -80.501704 0.0220 BFGS: 8708 16:27:29 -80.496104 0.0193 BFGS: 8709 16:27:29 -80.501746 0.0144 BFGS: 8710 16:27:29 -80.501760 0.0115 BFGS: 8711 16:27:29 -80.495975 0.0176 BFGS: 8712 16:27:29 -80.496070 0.0187 BFGS: 8713 16:27:29 -80.499970 0.1244 BFGS: 8714 16:27:29 -80.501664 0.0265 BFGS: 8715 16:27:29 -80.495923 0.0217 BFGS: 8716 16:27:29 -80.496094 0.0190 BFGS: 8717 16:27:29 -80.501192 0.0745 BFGS: 8718 16:27:29 -80.501661 0.0266 BFGS: 8719 16:27:29 -80.495758 0.0366 BFGS: 8720 16:27:29 -80.496068 0.0187 BFGS: 8721 16:27:29 -80.501682 0.0393 BFGS: 8722 16:27:29 -80.501698 0.0216 BFGS: 8723 16:27:29 -80.494028 0.1272 BFGS: 8724 16:27:29 -80.496036 0.0181 BFGS: 8725 16:27:29 -80.501640 0.0364 BFGS: 8726 16:27:29 -80.501697 0.0223 BFGS: 8727 16:27:29 -80.494034 0.1261 BFGS: 8728 16:27:30 -80.496035 0.0182 BFGS: 8729 16:27:30 -80.501640 0.0365 BFGS: 8730 16:27:30 -80.501698 0.0225 BFGS: 8731 16:27:30 -80.494034 0.1256 BFGS: 8732 16:27:30 -80.496034 0.0182 BFGS: 8733 16:27:30 -80.501641 0.0366 BFGS: 8734 16:27:30 -80.501698 0.0226 BFGS: 8735 16:27:30 -80.494033 0.1253 BFGS: 8736 16:27:30 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0.0183 BFGS: 8763 16:27:30 -80.501709 0.0212 BFGS: 8764 16:27:30 -80.496102 0.0192 BFGS: 8765 16:27:30 -80.501749 0.0139 BFGS: 8766 16:27:30 -80.501762 0.0110 BFGS: 8767 16:27:30 -80.495977 0.0177 BFGS: 8768 16:27:31 -80.496069 0.0187 BFGS: 8769 16:27:31 -80.500020 0.1237 BFGS: 8770 16:27:31 -80.501668 0.0260 BFGS: 8771 16:27:31 -80.495924 0.0221 BFGS: 8772 16:27:31 -80.496092 0.0189 BFGS: 8773 16:27:31 -80.501265 0.0704 BFGS: 8774 16:27:31 -80.501667 0.0259 BFGS: 8775 16:27:31 -80.495735 0.0394 BFGS: 8776 16:27:31 -80.496065 0.0186 BFGS: 8777 16:27:31 -80.501637 0.0366 BFGS: 8778 16:27:31 -80.501703 0.0210 BFGS: 8779 16:27:31 -80.494052 0.1272 BFGS: 8780 16:27:31 -80.496036 0.0182 BFGS: 8781 16:27:31 -80.501649 0.0353 BFGS: 8782 16:27:31 -80.501701 0.0219 BFGS: 8783 16:27:31 -80.494060 0.1263 BFGS: 8784 16:27:31 -80.496036 0.0182 BFGS: 8785 16:27:31 -80.501649 0.0355 BFGS: 8786 16:27:31 -80.501702 0.0221 BFGS: 8787 16:27:31 -80.494056 0.1262 BFGS: 8788 16:27:31 -80.496035 0.0182 BFGS: 8789 16:27:31 -80.501650 0.0355 BFGS: 8790 16:27:31 -80.501702 0.0222 BFGS: 8791 16:27:31 -80.494051 0.1264 BFGS: 8792 16:27:31 -80.495995 0.0182 BFGS: 8793 16:27:31 -80.501712 0.0210 BFGS: 8794 16:27:31 -80.496100 0.0191 BFGS: 8795 16:27:31 -80.501751 0.0137 BFGS: 8796 16:27:31 -80.501763 0.0108 BFGS: 8797 16:27:31 -80.495977 0.0177 BFGS: 8798 16:27:31 -80.496067 0.0186 BFGS: 8799 16:27:31 -80.500032 0.1245 BFGS: 8800 16:27:31 -80.501671 0.0259 BFGS: 8801 16:27:31 -80.495925 0.0222 BFGS: 8802 16:27:31 -80.496091 0.0189 BFGS: 8803 16:27:31 -80.501294 0.0691 BFGS: 8804 16:27:31 -80.501670 0.0257 BFGS: 8805 16:27:31 -80.495724 0.0409 BFGS: 8806 16:27:31 -80.496063 0.0186 BFGS: 8807 16:27:31 -80.501646 0.0356 BFGS: 8808 16:27:31 -80.501706 0.0208 BFGS: 8809 16:27:32 -80.494054 0.1281 BFGS: 8810 16:27:32 -80.496036 0.0182 BFGS: 8811 16:27:32 -80.501654 0.0348 BFGS: 8812 16:27:32 -80.501703 0.0217 BFGS: 8813 16:27:32 -80.494062 0.1278 BFGS: 8814 16:27:32 -80.496035 0.0182 BFGS: 8815 16:27:32 -80.501654 0.0351 BFGS: 8816 16:27:32 -80.501704 0.0220 BFGS: 8817 16:27:32 -80.494054 0.1283 BFGS: 8818 16:27:32 -80.495996 0.0182 BFGS: 8819 16:27:32 -80.501713 0.0208 BFGS: 8820 16:27:32 -80.496099 0.0190 BFGS: 8821 16:27:32 -80.501752 0.0134 BFGS: 8822 16:27:32 -80.501764 0.0106 BFGS: 8823 16:27:32 -80.495978 0.0176 BFGS: 8824 16:27:32 -80.496067 0.0186 BFGS: 8825 16:27:32 -80.500043 0.1256 BFGS: 8826 16:27:32 -80.501673 0.0258 BFGS: 8827 16:27:32 -80.495925 0.0226 BFGS: 8828 16:27:32 -80.496090 0.0188 BFGS: 8829 16:27:32 -80.501320 0.0680 BFGS: 8830 16:27:32 -80.501673 0.0255 BFGS: 8831 16:27:32 -80.495712 0.0426 BFGS: 8832 16:27:32 -80.496061 0.0185 BFGS: 8833 16:27:32 -80.501654 0.0347 BFGS: 8834 16:27:32 -80.501708 0.0205 BFGS: 8835 16:27:32 -80.494055 0.1292 BFGS: 8836 16:27:32 -80.496036 0.0181 BFGS: 8837 16:27:32 -80.501657 0.0345 BFGS: 8838 16:27:32 -80.501705 0.0216 BFGS: 8839 16:27:32 -80.494064 0.1294 BFGS: 8840 16:27:32 -80.496036 0.0181 BFGS: 8841 16:27:32 -80.501658 0.0348 BFGS: 8842 16:27:32 -80.501705 0.0218 BFGS: 8843 16:27:32 -80.494053 0.1304 BFGS: 8844 16:27:32 -80.495996 0.0181 BFGS: 8845 16:27:32 -80.501715 0.0207 BFGS: 8846 16:27:32 -80.496098 0.0190 BFGS: 8847 16:27:32 -80.501753 0.0131 BFGS: 8848 16:27:32 -80.501765 0.0103 BFGS: 8849 16:27:33 -80.495978 0.0176 BFGS: 8850 16:27:33 -80.496066 0.0185 BFGS: 8851 16:27:33 -80.500052 0.1271 BFGS: 8852 16:27:33 -80.501675 0.0257 BFGS: 8853 16:27:33 -80.495926 0.0229 BFGS: 8854 16:27:33 -80.496089 0.0188 BFGS: 8855 16:27:33 -80.501342 0.0672 BFGS: 8856 16:27:33 -80.501675 0.0254 BFGS: 8857 16:27:33 -80.495701 0.0443 BFGS: 8858 16:27:33 -80.496060 0.0184 BFGS: 8859 16:27:33 -80.501660 0.0341 BFGS: 8860 16:27:33 -80.501710 0.0203 BFGS: 8861 16:27:33 -80.494052 0.1318 BFGS: 8862 16:27:33 -80.496036 0.0180 BFGS: 8863 16:27:33 -80.501661 0.0344 BFGS: 8864 16:27:33 -80.501707 0.0215 BFGS: 8865 16:27:33 -80.494059 0.1322 BFGS: 8866 16:27:33 -80.496036 0.0180 BFGS: 8867 16:27:33 -80.501662 0.0348 BFGS: 8868 16:27:33 -80.501707 0.0217 BFGS: 8869 16:27:33 -80.494045 0.1335 BFGS: 8870 16:27:33 -80.495996 0.0180 BFGS: 8871 16:27:33 -80.501717 0.0206 BFGS: 8872 16:27:33 -80.496097 0.0189 BFGS: 8873 16:27:33 -80.501754 0.0129 BFGS: 8874 16:27:33 -80.501766 0.0101 BFGS: 8875 16:27:33 -80.495979 0.0175 BFGS: 8876 16:27:33 -80.496066 0.0185 BFGS: 8877 16:27:33 -80.500052 0.1295 BFGS: 8878 16:27:33 -80.501677 0.0257 BFGS: 8879 16:27:33 -80.495928 0.0233 BFGS: 8880 16:27:33 -80.496088 0.0187 BFGS: 8881 16:27:33 -80.501360 0.0669 BFGS: 8882 16:27:33 -80.501677 0.0253 BFGS: 8883 16:27:33 -80.495691 0.0461 BFGS: 8884 16:27:33 -80.496059 0.0184 BFGS: 8885 16:27:33 -80.501666 0.0336 BFGS: 8886 16:27:33 -80.501712 0.0202 BFGS: 8887 16:27:33 -80.494043 0.1349 BFGS: 8888 16:27:33 -80.496036 0.0180 BFGS: 8889 16:27:33 -80.501665 0.0344 BFGS: 8890 16:27:34 -80.501708 0.0214 BFGS: 8891 16:27:34 -80.494050 0.1354 BFGS: 8892 16:27:34 -80.496036 0.0180 BFGS: 8893 16:27:34 -80.501666 0.0347 BFGS: 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0.0063 BFGS: 9603 16:27:51 -80.501808 0.0086 BFGS: 9604 16:27:51 -80.501834 0.0046 BFGS: 9605 16:27:51 -80.496064 0.0187 BFGS: 9606 16:27:51 -80.501935 0.0065 BFGS: 9607 16:27:51 -80.501812 0.0080 BFGS: 9608 16:27:51 -80.501835 0.0046 BFGS: 9609 16:27:51 -80.496064 0.0187 BFGS: 9610 16:27:51 -80.501934 0.0066 BFGS: 9611 16:27:51 -80.501812 0.0078 BFGS: 9612 16:27:51 -80.501836 0.0046 BFGS: 9613 16:27:51 -80.496064 0.0188 BFGS: 9614 16:27:51 -80.501868 0.0067 BFGS: 9615 16:27:51 -80.501808 0.0085 BFGS: 9616 16:27:51 -80.501835 0.0050 BFGS: 9617 16:27:51 -80.496064 0.0193 BFGS: 9618 16:27:51 -80.501934 0.0067 BFGS: 9619 16:27:51 -80.501812 0.0079 BFGS: 9620 16:27:51 -80.501835 0.0048 BFGS: 9621 16:27:52 -80.496065 0.0194 BFGS: 9622 16:27:52 -80.501934 0.0067 BFGS: 9623 16:27:52 -80.501812 0.0077 BFGS: 9624 16:27:52 -80.501836 0.0048 BFGS: 9625 16:27:52 -80.496065 0.0194 BFGS: 9626 16:27:52 -80.501934 0.0067 BFGS: 9627 16:27:52 -80.501812 0.0076 BFGS: 9628 16:27:52 -80.501836 0.0047 BFGS: 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16:27:52 -80.501812 0.0078 BFGS: 9656 16:27:52 -80.501836 0.0046 BFGS: 9657 16:27:52 -80.496066 0.0189 BFGS: 9658 16:27:52 -80.501934 0.0067 BFGS: 9659 16:27:52 -80.501812 0.0078 BFGS: 9660 16:27:52 -80.501836 0.0046 BFGS: 9661 16:27:52 -80.496066 0.0189 BFGS: 9662 16:27:53 -80.501934 0.0068 BFGS: 9663 16:27:53 -80.501812 0.0077 BFGS: 9664 16:27:53 -80.501836 0.0047 BFGS: 9665 16:27:53 -80.496066 0.0190 BFGS: 9666 16:27:53 -80.501934 0.0068 BFGS: 9667 16:27:53 -80.501811 0.0077 BFGS: 9668 16:27:53 -80.501835 0.0047 BFGS: 9669 16:27:53 -80.496066 0.0190 BFGS: 9670 16:27:53 -80.501935 0.0068 BFGS: 9671 16:27:53 -80.501811 0.0077 BFGS: 9672 16:27:53 -80.501835 0.0047 BFGS: 9673 16:27:53 -80.496066 0.0191 BFGS: 9674 16:27:53 -80.501935 0.0068 BFGS: 9675 16:27:53 -80.501811 0.0077 BFGS: 9676 16:27:53 -80.501835 0.0047 BFGS: 9677 16:27:53 -80.496067 0.0191 BFGS: 9678 16:27:53 -80.501935 0.0068 BFGS: 9679 16:27:53 -80.501811 0.0077 BFGS: 9680 16:27:53 -80.501835 0.0047 BFGS: 9681 16:27:53 -80.496067 0.0191 BFGS: 9682 16:27:53 -80.501935 0.0068 BFGS: 9683 16:27:53 -80.501811 0.0077 BFGS: 9684 16:27:53 -80.501835 0.0047 BFGS: 9685 16:27:53 -80.496067 0.0191 BFGS: 9686 16:27:53 -80.501935 0.0068 BFGS: 9687 16:27:53 -80.501811 0.0077 BFGS: 9688 16:27:53 -80.501835 0.0047 BFGS: 9689 16:27:53 -80.496067 0.0192 BFGS: 9690 16:27:53 -80.502129 0.0075 BFGS: 9691 16:27:53 -80.501783 0.0115 BFGS: 9692 16:27:53 -80.501827 0.0055 BFGS: 9693 16:27:53 -80.496059 0.0187 BFGS: 9694 16:27:53 -80.501938 0.0063 BFGS: 9695 16:27:53 -80.501806 0.0087 BFGS: 9696 16:27:53 -80.501833 0.0046 BFGS: 9697 16:27:53 -80.496067 0.0187 BFGS: 9698 16:27:53 -80.501936 0.0065 BFGS: 9699 16:27:53 -80.501810 0.0081 BFGS: 9700 16:27:53 -80.501835 0.0046 BFGS: 9701 16:27:53 -80.496067 0.0187 BFGS: 9702 16:27:53 -80.501935 0.0066 BFGS: 9703 16:27:54 -80.501810 0.0080 BFGS: 9704 16:27:54 -80.501835 0.0046 BFGS: 9705 16:27:54 -80.496067 0.0188 BFGS: 9706 16:27:54 -80.501935 0.0067 BFGS: 9707 16:27:54 -80.501810 0.0079 BFGS: 9708 16:27:54 -80.501835 0.0046 BFGS: 9709 16:27:54 -80.496068 0.0189 BFGS: 9710 16:27:54 -80.501935 0.0067 BFGS: 9711 16:27:54 -80.501810 0.0079 BFGS: 9712 16:27:54 -80.501835 0.0046 BFGS: 9713 16:27:54 -80.496068 0.0189 BFGS: 9714 16:27:54 -80.501935 0.0067 BFGS: 9715 16:27:54 -80.501810 0.0079 BFGS: 9716 16:27:54 -80.501835 0.0046 BFGS: 9717 16:27:54 -80.496068 0.0190 BFGS: 9718 16:27:54 -80.501935 0.0068 BFGS: 9719 16:27:54 -80.501810 0.0078 BFGS: 9720 16:27:54 -80.501835 0.0047 BFGS: 9721 16:27:54 -80.496052 0.0190 BFGS: 9722 16:27:54 -80.496120 0.0190 BFGS: 9723 16:27:54 -80.501684 0.0208 BFGS: 9724 16:27:54 -80.501813 0.0077 BFGS: 9725 16:27:54 -80.496065 0.0194 BFGS: 9726 16:27:54 -80.501767 0.0028 BFGS: 9727 16:27:54 -80.496116 0.0193 BFGS: 9728 16:27:54 -80.501770 0.0032 BFGS: 9729 16:27:54 -80.501937 0.0064 BFGS: 9730 16:27:54 -80.501938 0.0063 BFGS: 9731 16:27:54 -80.501769 0.0116 BFGS: 9732 16:27:54 -80.501826 0.0052 BFGS: 9733 16:27:54 -80.496062 0.0183 BFGS: 9734 16:27:54 -80.501770 0.0033 BFGS: 9735 16:27:54 -80.496113 0.0191 BFGS: 9736 16:27:54 -80.501869 0.0065 BFGS: 9737 16:27:54 -80.501824 0.0060 BFGS: 9738 16:27:54 -80.501762 0.0036 BFGS: 9739 16:27:54 -80.496069 0.0214 BFGS: 9740 16:27:54 -80.501869 0.0065 BFGS: 9741 16:27:54 -80.501771 0.0124 BFGS: 9742 16:27:54 -80.501827 0.0056 BFGS: 9743 16:27:55 -80.496067 0.0230 BFGS: 9744 16:27:55 -80.501770 0.0033 BFGS: 9745 16:27:55 -80.496114 0.0199 BFGS: 9746 16:27:55 -80.501936 0.0065 BFGS: 9747 16:27:55 -80.501830 0.0055 BFGS: 9748 16:27:55 -80.501764 0.0029 BFGS: 9749 16:27:55 -80.496071 0.0219 BFGS: 9750 16:27:55 -80.501868 0.0066 BFGS: 9751 16:27:55 -80.501769 0.0117 BFGS: 9752 16:27:55 -80.501827 0.0057 BFGS: 9753 16:27:55 -80.496055 0.0235 BFGS: 9754 16:27:55 -80.501938 0.0063 BFGS: 9755 16:27:55 -80.501785 0.0098 BFGS: 9756 16:27:55 -80.501829 0.0052 BFGS: 9757 16:27:55 -80.496060 0.0229 BFGS: 9758 16:27:55 -80.501938 0.0064 BFGS: 9759 16:27:55 -80.501786 0.0094 BFGS: 9760 16:27:55 -80.501830 0.0051 BFGS: 9761 16:27:55 -80.496060 0.0224 BFGS: 9762 16:27:55 -80.501938 0.0064 BFGS: 9763 16:27:55 -80.501786 0.0092 BFGS: 9764 16:27:55 -80.501830 0.0050 BFGS: 9765 16:27:55 -80.496060 0.0220 BFGS: 9766 16:27:55 -80.501938 0.0064 BFGS: 9767 16:27:55 -80.501786 0.0091 BFGS: 9768 16:27:55 -80.501830 0.0050 BFGS: 9769 16:27:55 -80.496060 0.0215 BFGS: 9770 16:27:55 -80.501938 0.0064 BFGS: 9771 16:27:55 -80.501786 0.0091 BFGS: 9772 16:27:55 -80.501830 0.0049 BFGS: 9773 16:27:55 -80.496060 0.0211 BFGS: 9774 16:27:55 -80.501938 0.0064 BFGS: 9775 16:27:55 -80.501786 0.0091 BFGS: 9776 16:27:55 -80.501830 0.0049 BFGS: 9777 16:27:55 -80.496060 0.0208 BFGS: 9778 16:27:55 -80.501938 0.0064 BFGS: 9779 16:27:55 -80.501786 0.0091 BFGS: 9780 16:27:55 -80.501830 0.0048 BFGS: 9781 16:27:55 -80.496060 0.0204 BFGS: 9782 16:27:55 -80.501938 0.0064 BFGS: 9783 16:27:55 -80.501786 0.0092 BFGS: 9784 16:27:56 -80.501830 0.0048 BFGS: 9785 16:27:56 -80.496060 0.0202 BFGS: 9786 16:27:56 -80.501938 0.0064 BFGS: 9787 16:27:56 -80.501785 0.0093 BFGS: 9788 16:27:56 -80.501830 0.0048 BFGS: 9789 16:27:56 -80.496060 0.0199 BFGS: 9790 16:27:56 -80.501938 0.0064 BFGS: 9791 16:27:56 -80.501785 0.0094 BFGS: 9792 16:27:56 -80.501830 0.0048 BFGS: 9793 16:27:56 -80.496060 0.0197 BFGS: 9794 16:27:56 -80.501938 0.0064 BFGS: 9795 16:27:56 -80.501785 0.0095 BFGS: 9796 16:27:56 -80.501829 0.0048 BFGS: 9797 16:27:56 -80.496061 0.0196 BFGS: 9798 16:27:56 -80.501938 0.0064 BFGS: 9799 16:27:56 -80.501785 0.0097 BFGS: 9800 16:27:56 -80.501829 0.0048 BFGS: 9801 16:27:56 -80.496061 0.0194 BFGS: 9802 16:27:56 -80.501938 0.0064 BFGS: 9803 16:27:56 -80.501784 0.0098 BFGS: 9804 16:27:56 -80.501829 0.0047 BFGS: 9805 16:27:56 -80.496061 0.0193 BFGS: 9806 16:27:56 -80.501938 0.0064 BFGS: 9807 16:27:56 -80.501784 0.0099 BFGS: 9808 16:27:56 -80.501829 0.0047 BFGS: 9809 16:27:56 -80.496061 0.0192 BFGS: 9810 16:27:56 -80.501938 0.0064 BFGS: 9811 16:27:56 -80.501784 0.0100 BFGS: 9812 16:27:56 -80.501829 0.0047 BFGS: 9813 16:27:56 -80.496061 0.0191 BFGS: 9814 16:27:56 -80.501938 0.0064 BFGS: 9815 16:27:56 -80.501784 0.0101 BFGS: 9816 16:27:56 -80.501829 0.0047 BFGS: 9817 16:27:56 -80.496061 0.0191 BFGS: 9818 16:27:56 -80.501938 0.0064 BFGS: 9819 16:27:56 -80.501784 0.0101 BFGS: 9820 16:27:56 -80.501829 0.0047 BFGS: 9821 16:27:56 -80.496055 0.0190 BFGS: 9822 16:27:56 -80.501938 0.0065 BFGS: 9823 16:27:56 -80.501783 0.0103 BFGS: 9824 16:27:56 -80.501829 0.0047 BFGS: 9825 16:27:57 -80.496056 0.0190 BFGS: 9826 16:27:57 -80.501938 0.0065 BFGS: 9827 16:27:57 -80.501783 0.0104 BFGS: 9828 16:27:57 -80.501829 0.0047 BFGS: 9829 16:27:57 -80.496056 0.0189 BFGS: 9830 16:27:57 -80.501938 0.0065 BFGS: 9831 16:27:57 -80.501783 0.0105 BFGS: 9832 16:27:57 -80.501829 0.0048 BFGS: 9833 16:27:57 -80.496056 0.0189 BFGS: 9834 16:27:57 -80.501938 0.0065 BFGS: 9835 16:27:57 -80.501783 0.0106 BFGS: 9836 16:27:57 -80.501829 0.0048 BFGS: 9837 16:27:57 -80.496056 0.0189 BFGS: 9838 16:27:57 -80.501938 0.0065 BFGS: 9839 16:27:57 -80.501782 0.0106 BFGS: 9840 16:27:57 -80.501829 0.0048 BFGS: 9841 16:27:57 -80.496056 0.0189 BFGS: 9842 16:27:57 -80.501938 0.0066 BFGS: 9843 16:27:57 -80.501782 0.0107 BFGS: 9844 16:27:57 -80.501829 0.0048 BFGS: 9845 16:27:57 -80.496056 0.0189 BFGS: 9846 16:27:57 -80.501938 0.0066 BFGS: 9847 16:27:57 -80.501782 0.0108 BFGS: 9848 16:27:57 -80.501829 0.0048 BFGS: 9849 16:27:57 -80.496056 0.0189 BFGS: 9850 16:27:57 -80.501938 0.0066 BFGS: 9851 16:27:57 -80.501782 0.0109 BFGS: 9852 16:27:57 -80.501829 0.0048 BFGS: 9853 16:27:57 -80.496056 0.0189 BFGS: 9854 16:27:57 -80.501938 0.0066 BFGS: 9855 16:27:57 -80.501781 0.0110 BFGS: 9856 16:27:57 -80.501829 0.0049 BFGS: 9857 16:27:57 -80.496056 0.0189 BFGS: 9858 16:27:57 -80.501938 0.0066 BFGS: 9859 16:27:57 -80.501781 0.0110 BFGS: 9860 16:27:57 -80.501828 0.0049 BFGS: 9861 16:27:57 -80.496056 0.0189 BFGS: 9862 16:27:57 -80.501938 0.0066 BFGS: 9863 16:27:57 -80.501781 0.0111 BFGS: 9864 16:27:57 -80.501828 0.0049 BFGS: 9865 16:27:58 -80.496056 0.0189 BFGS: 9866 16:27:58 -80.501938 0.0066 BFGS: 9867 16:27:58 -80.501781 0.0112 BFGS: 9868 16:27:58 -80.501828 0.0049 BFGS: 9869 16:27:58 -80.496056 0.0189 BFGS: 9870 16:27:58 -80.501938 0.0066 BFGS: 9871 16:27:58 -80.501780 0.0112 BFGS: 9872 16:27:58 -80.501828 0.0049 BFGS: 9873 16:27:58 -80.496057 0.0189 BFGS: 9874 16:27:58 -80.501939 0.0066 BFGS: 9875 16:27:58 -80.501780 0.0113 BFGS: 9876 16:27:58 -80.501828 0.0049 BFGS: 9877 16:27:58 -80.496057 0.0189 BFGS: 9878 16:27:58 -80.501939 0.0067 BFGS: 9879 16:27:58 -80.501780 0.0114 BFGS: 9880 16:27:58 -80.501828 0.0049 BFGS: 9881 16:27:58 -80.496057 0.0189 BFGS: 9882 16:27:58 -80.501939 0.0067 BFGS: 9883 16:27:58 -80.501780 0.0114 BFGS: 9884 16:27:58 -80.501828 0.0049 BFGS: 9885 16:27:58 -80.496057 0.0189 BFGS: 9886 16:27:58 -80.501939 0.0067 BFGS: 9887 16:27:58 -80.501779 0.0115 BFGS: 9888 16:27:58 -80.501828 0.0050 BFGS: 9889 16:27:58 -80.496057 0.0189 BFGS: 9890 16:27:58 -80.501939 0.0067 BFGS: 9891 16:27:58 -80.501779 0.0115 BFGS: 9892 16:27:58 -80.501828 0.0050 BFGS: 9893 16:27:58 -80.496057 0.0189 BFGS: 9894 16:27:58 -80.501939 0.0067 BFGS: 9895 16:27:58 -80.501779 0.0116 BFGS: 9896 16:27:58 -80.501828 0.0050 BFGS: 9897 16:27:58 -80.496057 0.0189 BFGS: 9898 16:27:58 -80.501939 0.0067 BFGS: 9899 16:27:58 -80.501779 0.0116 BFGS: 9900 16:27:58 -80.501828 0.0050 BFGS: 9901 16:27:58 -80.496057 0.0189 BFGS: 9902 16:27:58 -80.501939 0.0067 BFGS: 9903 16:27:58 -80.501778 0.0117 BFGS: 9904 16:27:58 -80.501828 0.0050 BFGS: 9905 16:27:58 -80.496057 0.0189 BFGS: 9906 16:27:59 -80.501939 0.0067 BFGS: 9907 16:27:59 -80.501778 0.0117 BFGS: 9908 16:27:59 -80.501828 0.0050 BFGS: 9909 16:27:59 -80.496058 0.0189 BFGS: 9910 16:27:59 -80.501939 0.0067 BFGS: 9911 16:27:59 -80.501778 0.0118 BFGS: 9912 16:27:59 -80.501828 0.0050 BFGS: 9913 16:27:59 -80.496058 0.0189 BFGS: 9914 16:27:59 -80.501939 0.0067 BFGS: 9915 16:27:59 -80.501778 0.0118 BFGS: 9916 16:27:59 -80.501828 0.0050 BFGS: 9917 16:27:59 -80.496058 0.0189 BFGS: 9918 16:27:59 -80.501771 0.0039 BFGS: 9919 16:27:59 -80.496114 0.0191 BFGS: 9920 16:27:59 -80.501936 0.0073 BFGS: 9921 16:27:59 -80.501825 0.0050 BFGS: 9922 16:27:59 -80.501763 0.0028 BFGS: 9923 16:27:59 -80.496071 0.0191 BFGS: 9924 16:27:59 -80.501936 0.0072 BFGS: 9925 16:27:59 -80.501776 0.0114 BFGS: 9926 16:27:59 -80.501753 0.0047 BFGS: 9927 16:27:59 -80.496063 0.0194 BFGS: 9928 16:27:59 -80.501771 0.0037 BFGS: 9929 16:27:59 -80.496115 0.0194 BFGS: 9930 16:27:59 -80.501937 0.0071 BFGS: 9931 16:27:59 -80.501824 0.0051 BFGS: 9932 16:27:59 -80.501762 0.0029 BFGS: 9933 16:27:59 -80.496070 0.0195 BFGS: 9934 16:27:59 -80.501870 0.0071 BFGS: 9935 16:27:59 -80.501734 0.0150 BFGS: 9936 16:27:59 -80.501821 0.0057 BFGS: 9937 16:27:59 -80.496060 0.0200 BFGS: 9938 16:27:59 -80.501770 0.0036 BFGS: 9939 16:27:59 -80.496115 0.0194 BFGS: 9940 16:27:59 -80.501938 0.0069 BFGS: 9941 16:27:59 -80.501819 0.0056 BFGS: 9942 16:27:59 -80.501761 0.0031 BFGS: 9943 16:27:59 -80.496069 0.0200 BFGS: 9944 16:27:59 -80.501937 0.0070 BFGS: 9945 16:27:59 -80.501768 0.0113 BFGS: 9946 16:27:59 -80.501751 0.0047 BFGS: 9947 16:28:00 -80.496063 0.0204 BFGS: 9948 16:28:00 -80.501771 0.0036 BFGS: 9949 16:28:00 -80.496115 0.0196 BFGS: 9950 16:28:00 -80.501871 0.0070 BFGS: 9951 16:28:00 -80.501782 0.0105 BFGS: 9952 16:28:00 -80.501752 0.0047 BFGS: 9953 16:28:00 -80.496063 0.0223 BFGS: 9954 16:28:00 -80.501771 0.0036 BFGS: 9955 16:28:00 -80.495921 0.0200 BFGS: 9956 16:28:00 -80.501871 0.0070 BFGS: 9957 16:28:00 -80.501663 0.0204 BFGS: 9958 16:28:00 -80.501815 0.0064 BFGS: 9959 16:28:00 -80.496066 0.0225 BFGS: 9960 16:28:00 -80.501768 0.0032 BFGS: 9961 16:28:00 -80.501865 0.0077 BFGS: 9962 16:28:00 -80.501771 0.0036 BFGS: 9963 16:28:00 -80.501938 0.0069 BFGS: 9964 16:28:00 -80.501771 0.0038 BFGS: 9965 16:28:00 -80.501939 0.0067 BFGS: 9966 16:28:00 -80.501939 0.0067 BFGS: 9967 16:28:00 -80.501767 0.0074 BFGS: 9968 16:28:00 -80.501825 0.0040 BFGS: 9969 16:28:00 -80.496060 0.0180 BFGS: 9970 16:28:00 -80.501770 0.0036 BFGS: 9971 16:28:00 -80.496116 0.0190 BFGS: 9972 16:28:00 -80.501938 0.0068 BFGS: 9973 16:28:00 -80.501815 0.0043 BFGS: 9974 16:28:00 -80.501835 0.0040 BFGS: 9975 16:28:00 -80.496063 0.0179 BFGS: 9976 16:28:00 -80.501937 0.0069 BFGS: 9977 16:28:00 -80.501754 0.0087 BFGS: 9978 16:28:00 -80.501824 0.0043 BFGS: 9979 16:28:00 -80.496074 0.0179 BFGS: 9980 16:28:00 -80.501769 0.0035 BFGS: 9981 16:28:00 -80.495924 0.0190 BFGS: 9982 16:28:00 -80.501771 0.0039 BFGS: 9983 16:28:00 -80.501937 0.0070 BFGS: 9984 16:28:00 -80.501939 0.0069 BFGS: 9985 16:28:00 -80.501762 0.0104 BFGS: 9986 16:28:00 -80.501824 0.0041 BFGS: 9987 16:28:01 -80.496074 0.0166 BFGS: 9988 16:28:01 -80.501769 0.0036 BFGS: 9989 16:28:01 -80.501865 0.0078 BFGS: 9990 16:28:01 -80.501771 0.0040 BFGS: 9991 16:28:01 -80.501937 0.0071 BFGS: 9992 16:28:01 -80.501939 0.0069 BFGS: 9993 16:28:01 -80.501763 0.0125 BFGS: 9994 16:28:01 -80.501824 0.0042 BFGS: 9995 16:28:01 -80.496058 0.0156 BFGS: 9996 16:28:01 -80.501771 0.0039 BFGS: 9997 16:28:01 -80.496116 0.0182 BFGS: 9998 16:28:01 -80.501938 0.0071 BFGS: 9999 16:28:01 -80.501813 0.0054 BFGS: 10000 16:28:01 -80.501834 0.0038 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0038790543285308248 eV/Angstrom Maximum stress component: 9.730127569942379e-05 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S', 'S'] basis = [[0.60365408 0.17839812 0.08248879] [0.39634592 0.67839812 0.41751121] [0.39634592 0.82160188 0.91751121] [0.60365408 0.32160188 0.58248879] [0.51842827 0.42171217 0.87282335] [0.48157173 0.92171217 0.62717665] [0.48157173 0.57828783 0.12717665] [0.51842827 0.07828783 0.37282335] [0.78022911 0.06512405 0.18541687] [0.21977089 0.56512405 0.31458313] [0.21977089 0.93487595 0.81458313] [0.78022911 0.43487595 0.68541687] [0.68513571 0.64137925 0.08489072] [0.31486429 0.14137925 0.41510928] [0.31486429 0.35862075 0.91510928] [0.68513571 0.85862075 0.58489072] [0.95886837 0.2657811 0.41075675] [0.04113163 0.7657811 0.08924325] [0.04113163 0.7342189 0.58924325] [0.95886837 0.2342189 0.91075675] [0.79154866 0.64827814 0.02442985] [0.20845134 0.14827814 0.47557015] [0.20845134 0.35172186 0.97557015] [0.79154866 0.85172186 0.52442985] [0.95753131 0.42520591 0.22387416] [0.04246869 0.92520591 0.27612584] [0.04246869 0.57479409 0.77612584] [0.95753131 0.07479409 0.72387416]] cellpar = Cell([[15.625978431179767, -2.010686308632325e-17, -0.48428620858414534], [-2.7162058852066666e-17, 7.17905238961448, 2.038254856702811e-17], [-7.825746155745155, 2.633126126714601e-17, 6.152411458964311]]) forces = [[ 1.63884382e-03 -3.87905433e-03 1.24743755e-03] [-1.63884382e-03 -3.87905433e-03 -1.24743755e-03] [-1.63884382e-03 3.87905433e-03 -1.24743755e-03] [ 1.63884382e-03 3.87905433e-03 1.24743755e-03] [ 1.74327386e-03 4.48015473e-04 1.06123573e-03] [-1.74327386e-03 4.48015473e-04 -1.06123573e-03] [-1.74327386e-03 -4.48015473e-04 -1.06123573e-03] [ 1.74327386e-03 -4.48015473e-04 1.06123573e-03] [-1.45195702e-03 -7.70334402e-04 -3.59474362e-04] [ 1.45195702e-03 -7.70334402e-04 3.59474362e-04] [ 1.45195702e-03 7.70334402e-04 3.59474362e-04] [-1.45195702e-03 7.70334402e-04 -3.59474362e-04] [ 2.76285111e-03 -7.71269906e-05 3.98355957e-04] [-2.76285111e-03 -7.71269906e-05 -3.98355957e-04] [-2.76285111e-03 7.71269906e-05 -3.98355957e-04] [ 2.76285111e-03 7.71269906e-05 3.98355957e-04] [-2.96895361e-03 -1.20581378e-03 -9.50642149e-04] [ 2.96895361e-03 -1.20581378e-03 9.50642149e-04] [ 2.96895361e-03 1.20581378e-03 9.50642149e-04] [-2.96895361e-03 1.20581378e-03 -9.50642149e-04] [ 1.43018262e-04 1.27356859e-04 -2.54567926e-03] [-1.43018262e-04 1.27356859e-04 2.54567926e-03] [-1.43018262e-04 -1.27356859e-04 2.54567926e-03] [ 1.43018262e-04 -1.27356859e-04 -2.54567926e-03] [-5.17006449e-04 -8.16892186e-04 1.02908920e-04] [ 5.17006449e-04 -8.16892186e-04 -1.02908920e-04] [ 5.17006449e-04 8.16892186e-04 -1.02908920e-04] [-5.17006449e-04 8.16892186e-04 1.02908920e-04]] stress = [-9.73012757e-05 4.70145087e-05 3.24055395e-05 5.33209531e-21 1.92557363e-05 2.73660631e-21] energy per atom = -2.78782424873765 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0