element(s): ['C', 'H', 'O'] AFLOW prototype label: AB3C3_mP28_14_e_3e_3e 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: ['5.1854', '0.79756624', '2.7941721', '119.4183', '0.0061710198', '0.067426981', '0.95103208', '0.78821568', '0.02597956', '0.78430239', '0.49668533', '0.72237993', '0.8415634', '0.25118796', '0.51283375', '0.85678433', '0.8027077', '0.94075202', '0.86214651', '0.19422499', '0.26657962', '0.96050157', '0.28742869', '0.6442878', '0.80720545'] model name: Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'H', 'O', 'O', 'O'] representative atom coordinates = [[0.10410686 0.06742698 0.05513894] [0.2196109 0.02597956 0.00391329] [0.81355853 0.72237993 0.65512193] [0.5376193 0.51283375 0.39440363] [0.07841468 0.94075202 0.94056119] [0.27322185 0.26657962 0.23372342] [0.67301779 0.6442878 0.48022324]] spacegroup = 14 cell = [[12.7676, 0, 0], [0, 4.1357, 0], [-11.98317429543, 0, 5.1257242771479]] ========================================= Step Time Energy fmax BFGS: 0 19:56:50 -110.660454 44.944144 BFGS: 1 19:56:51 -121.693843 14.328766 BFGS: 2 19:56:51 -121.829916 18.101126 BFGS: 3 19:56:52 -123.256530 5.962607 BFGS: 4 19:56:53 -124.567977 1.985914 BFGS: 5 19:56:53 -125.479581 3.078211 BFGS: 6 19:56:54 -126.473317 4.837709 BFGS: 7 19:56:54 -126.823373 6.575871 BFGS: 8 19:56:55 -127.061324 5.717589 BFGS: 9 19:56:56 -127.311467 4.845134 BFGS: 10 19:56:56 -127.654574 3.556284 BFGS: 11 19:56:56 -127.939465 2.280543 BFGS: 12 19:56:57 -128.273205 2.162358 BFGS: 13 19:56:58 -128.549280 2.117135 BFGS: 14 19:56:59 -128.676096 1.449182 BFGS: 15 19:56:59 -128.752082 0.678860 BFGS: 16 19:57:00 -128.788709 0.956923 BFGS: 17 19:57:01 -128.829386 0.982873 BFGS: 18 19:57:02 -128.848587 0.578329 BFGS: 19 19:57:03 -128.856581 0.246810 BFGS: 20 19:57:04 -128.866666 0.316572 BFGS: 21 19:57:04 -128.880683 0.507389 BFGS: 22 19:57:05 -128.902953 0.762654 BFGS: 23 19:57:06 -128.927742 0.778557 BFGS: 24 19:57:07 -128.949244 0.652219 BFGS: 25 19:57:08 -128.971902 0.423134 BFGS: 26 19:57:09 -128.989166 0.292800 BFGS: 27 19:57:09 -129.005818 0.332131 BFGS: 28 19:57:10 -129.021579 0.300220 BFGS: 29 19:57:11 -129.037914 0.356656 BFGS: 30 19:57:12 -129.053603 0.428488 BFGS: 31 19:57:13 -129.069327 0.462402 BFGS: 32 19:57:14 -129.086094 0.467320 BFGS: 33 19:57:15 -129.101184 0.455603 BFGS: 34 19:57:15 -129.115933 0.434412 BFGS: 35 19:57:16 -129.130560 0.417445 BFGS: 36 19:57:17 -129.144620 0.445370 BFGS: 37 19:57:17 -129.159514 0.467587 BFGS: 38 19:57:18 -129.173350 0.485608 BFGS: 39 19:57:20 -129.187041 0.501796 BFGS: 40 19:57:20 -129.202007 0.516013 BFGS: 41 19:57:21 -129.251542 0.529401 BFGS: 42 19:57:22 -129.250366 0.659342 BFGS: 43 19:57:22 -129.313268 0.611259 BFGS: 44 19:57:23 -129.336350 0.498323 BFGS: 45 19:57:24 -129.366780 0.504205 BFGS: 46 19:57:25 -129.395455 0.439810 BFGS: 47 19:57:26 -129.419940 0.331788 BFGS: 48 19:57:27 -129.443662 0.274955 BFGS: 49 19:57:28 -129.466420 0.190974 BFGS: 50 19:57:28 -129.487389 0.174077 BFGS: 51 19:57:29 -129.507548 0.165980 BFGS: 52 19:57:30 -129.521208 0.211146 BFGS: 53 19:57:30 -129.533249 0.259456 BFGS: 54 19:57:31 -129.546776 0.301397 BFGS: 55 19:57:32 -129.560359 0.313827 BFGS: 56 19:57:33 -129.573162 0.311367 BFGS: 57 19:57:33 -129.586847 0.301339 BFGS: 58 19:57:34 -129.600304 0.269434 BFGS: 59 19:57:35 -129.613103 0.221233 BFGS: 60 19:57:35 -129.625215 0.189249 BFGS: 61 19:57:36 -129.636295 0.195033 BFGS: 62 19:57:37 -129.643660 0.199096 BFGS: 63 19:57:37 -129.652000 0.208865 BFGS: 64 19:57:38 -129.661166 0.228898 BFGS: 65 19:57:39 -129.670389 0.256331 BFGS: 66 19:57:40 -129.679073 0.298508 BFGS: 67 19:57:40 -129.687750 0.352468 BFGS: 68 19:57:42 -129.696643 0.399640 BFGS: 69 19:57:43 -129.706417 0.439933 BFGS: 70 19:57:43 -129.716744 0.473613 BFGS: 71 19:57:44 -129.726802 0.500698 BFGS: 72 19:57:45 -129.734616 0.516671 BFGS: 73 19:57:46 -129.745492 0.538058 BFGS: 74 19:57:47 -129.757103 0.546018 BFGS: 75 19:57:47 -129.768683 0.552041 BFGS: 76 19:57:48 -129.780485 0.552791 BFGS: 77 19:57:49 -129.792621 0.549155 BFGS: 78 19:57:50 -129.805364 0.540916 BFGS: 79 19:57:51 -129.817963 0.528814 BFGS: 80 19:57:51 -129.834738 0.518683 BFGS: 81 19:57:53 -129.847661 0.502635 BFGS: 82 19:57:54 -129.861430 0.475794 BFGS: 83 19:57:54 -129.874160 0.449145 BFGS: 84 19:57:55 -129.886861 0.419223 BFGS: 85 19:57:56 -129.899424 0.386524 BFGS: 86 19:57:57 -129.911658 0.351387 BFGS: 87 19:57:57 -129.924097 0.314542 BFGS: 88 19:57:58 -129.935850 0.275383 BFGS: 89 19:57:58 -129.948384 0.234469 BFGS: 90 19:57:59 -129.959384 0.192861 BFGS: 91 19:57:59 -129.970099 0.174064 BFGS: 92 19:58:00 -129.980763 0.166343 BFGS: 93 19:58:01 -129.990694 0.161954 BFGS: 94 19:58:01 -130.000964 0.166057 BFGS: 95 19:58:02 -130.010034 0.170308 BFGS: 96 19:58:03 -130.018799 0.173872 BFGS: 97 19:58:04 -130.029268 0.176965 BFGS: 98 19:58:05 -130.037896 0.204172 BFGS: 99 19:58:06 -130.047006 0.246405 BFGS: 100 19:58:06 -130.055977 0.287709 BFGS: 101 19:58:07 -130.064272 0.326804 BFGS: 102 19:58:08 -130.072386 0.363696 BFGS: 103 19:58:09 -130.082776 0.398052 BFGS: 104 19:58:09 -130.091432 0.429221 BFGS: 105 19:58:10 -130.100236 0.456379 BFGS: 106 19:58:11 -130.109984 0.479729 BFGS: 107 19:58:12 -130.120297 0.497602 BFGS: 108 19:58:12 -130.131243 0.510752 BFGS: 109 19:58:13 -130.141920 0.517149 BFGS: 110 19:58:13 -130.153464 0.515647 BFGS: 111 19:58:14 -130.165303 0.506219 BFGS: 112 19:58:15 -130.177733 0.483684 BFGS: 113 19:58:16 -130.190948 0.447049 BFGS: 114 19:58:17 -130.205352 0.381812 BFGS: 115 19:58:18 -130.227063 0.279988 BFGS: 116 19:58:19 -130.293521 0.252587 BFGS: 117 19:58:20 -130.301630 0.318968 BFGS: 118 19:58:21 -130.316067 0.353956 BFGS: 119 19:58:22 -130.325772 0.351399 BFGS: 120 19:58:22 -130.341511 0.580818 BFGS: 121 19:58:23 -130.353332 0.653587 BFGS: 122 19:58:24 -130.372512 0.659922 BFGS: 123 19:58:25 -130.396840 0.623253 BFGS: 124 19:58:26 -130.416892 0.575639 BFGS: 125 19:58:27 -130.435225 0.540865 BFGS: 126 19:58:27 -130.455113 0.514373 BFGS: 127 19:58:28 -130.475840 0.509130 BFGS: 128 19:58:30 -130.496479 0.516489 BFGS: 129 19:58:30 -130.515371 0.601528 BFGS: 130 19:58:31 -130.531903 0.689139 BFGS: 131 19:58:32 -130.546713 0.692834 BFGS: 132 19:58:32 -130.560628 0.701311 BFGS: 133 19:58:33 -130.574868 0.660419 BFGS: 134 19:58:34 -130.589477 0.683806 BFGS: 135 19:58:34 -130.603828 0.628074 BFGS: 136 19:58:35 -130.617950 0.636249 BFGS: 137 19:58:36 -130.632134 0.590444 BFGS: 138 19:58:37 -130.645997 0.581627 BFGS: 139 19:58:37 -130.661045 0.538220 BFGS: 140 19:58:38 -130.676443 0.511512 BFGS: 141 19:58:38 -130.693987 0.478389 BFGS: 142 19:58:39 -130.711287 0.468669 BFGS: 143 19:58:40 -130.729783 0.480932 BFGS: 144 19:58:41 -130.758321 0.498811 BFGS: 145 19:58:42 -130.777815 0.509491 BFGS: 146 19:58:42 -130.802994 0.495637 BFGS: 147 19:58:43 -130.826863 0.470295 BFGS: 148 19:58:44 -130.812771 0.532517 BFGS: 149 19:58:44 -130.839249 0.654361 BFGS: 150 19:58:45 -130.874060 1.292494 BFGS: 151 19:58:46 -130.897182 0.452968 BFGS: 152 19:58:47 -130.918216 0.793018 BFGS: 153 19:58:47 -130.943151 0.633304 BFGS: 154 19:58:48 -130.968478 0.475236 BFGS: 155 19:58:49 -130.985254 0.365809 BFGS: 156 19:58:50 -130.998986 0.263337 BFGS: 157 19:58:52 -131.007321 0.251450 BFGS: 158 19:58:52 -131.014321 0.264134 BFGS: 159 19:58:53 -131.019505 0.271914 BFGS: 160 19:58:54 -131.023709 0.274908 BFGS: 161 19:58:55 -131.028764 0.272786 BFGS: 162 19:58:55 -131.032617 0.263400 BFGS: 163 19:58:56 -131.038169 0.246060 BFGS: 164 19:58:57 -131.044307 0.215034 BFGS: 165 19:58:57 -131.050696 0.181905 BFGS: 166 19:58:58 -131.059173 0.193460 BFGS: 167 19:58:59 -131.069354 0.287899 BFGS: 168 19:59:00 -131.080204 0.368584 BFGS: 169 19:59:01 -131.092519 0.424305 BFGS: 170 19:59:01 -131.103850 0.447447 BFGS: 171 19:59:02 -131.114318 0.420371 BFGS: 172 19:59:03 -131.123454 0.374089 BFGS: 173 19:59:03 -131.131833 0.321356 BFGS: 174 19:59:04 -131.139187 0.290294 BFGS: 175 19:59:05 -131.146327 0.257953 BFGS: 176 19:59:05 -131.153558 0.228292 BFGS: 177 19:59:06 -131.158164 0.195352 BFGS: 178 19:59:07 -131.164070 0.166246 BFGS: 179 19:59:08 -131.170459 0.138397 BFGS: 180 19:59:09 -131.174696 0.137607 BFGS: 181 19:59:09 -131.179615 0.140971 BFGS: 182 19:59:10 -131.185414 0.146973 BFGS: 183 19:59:11 -131.190300 0.166269 BFGS: 184 19:59:11 -131.194757 0.184902 BFGS: 185 19:59:12 -131.198718 0.200183 BFGS: 186 19:59:12 -131.210431 0.208694 BFGS: 187 19:59:13 -131.214856 0.219281 BFGS: 188 19:59:13 -131.218507 0.227155 BFGS: 189 19:59:14 -131.224049 0.227118 BFGS: 190 19:59:15 -131.228690 0.225936 BFGS: 191 19:59:16 -131.233493 0.220958 BFGS: 192 19:59:17 -131.238439 0.212916 BFGS: 193 19:59:18 -131.242921 0.200140 BFGS: 194 19:59:18 -131.248110 0.185112 BFGS: 195 19:59:19 -131.250575 0.166066 BFGS: 196 19:59:20 -131.256041 0.144805 BFGS: 197 19:59:21 -131.254692 0.150821 BFGS: 198 19:59:21 -131.260148 0.159572 BFGS: 199 19:59:22 -131.265749 0.173596 BFGS: 200 19:59:23 -131.271475 0.178761 BFGS: 201 19:59:24 -131.277768 0.192712 BFGS: 202 19:59:25 -131.283945 0.210513 BFGS: 203 19:59:25 -131.290746 0.275169 BFGS: 204 19:59:25 -131.299230 0.398077 BFGS: 205 19:59:26 -131.309101 0.483553 BFGS: 206 19:59:26 -131.323986 0.576884 BFGS: 207 19:59:27 -131.342453 0.569124 BFGS: 208 19:59:27 -131.359304 0.451010 BFGS: 209 19:59:27 -131.369472 0.326682 BFGS: 210 19:59:28 -131.376082 0.258263 BFGS: 211 19:59:28 -131.378272 0.209675 BFGS: 212 19:59:29 -131.382560 0.179378 BFGS: 213 19:59:30 -131.385581 0.153634 BFGS: 214 19:59:30 -131.388697 0.133982 BFGS: 215 19:59:31 -131.391912 0.117205 BFGS: 216 19:59:32 -131.394897 0.113208 BFGS: 217 19:59:32 -131.398324 0.122369 BFGS: 218 19:59:33 -131.401036 0.131288 BFGS: 219 19:59:34 -131.403697 0.139844 BFGS: 220 19:59:34 -131.406702 0.148505 BFGS: 221 19:59:35 -131.408570 0.160011 BFGS: 222 19:59:35 -131.406038 0.164566 BFGS: 223 19:59:36 -131.407778 0.172534 BFGS: 224 19:59:37 -131.409469 0.182170 BFGS: 225 19:59:38 -131.411121 0.189669 BFGS: 226 19:59:38 -131.408152 0.197865 BFGS: 227 19:59:39 -131.409743 0.205059 BFGS: 228 19:59:40 -131.411967 0.214026 BFGS: 229 19:59:41 -131.413676 0.221748 BFGS: 230 19:59:42 -131.415326 0.229659 BFGS: 231 19:59:43 -131.415308 0.236404 BFGS: 232 19:59:44 -131.416997 0.244236 BFGS: 233 19:59:45 -131.417009 0.251201 BFGS: 234 19:59:45 -131.418732 0.258204 BFGS: 235 19:59:46 -131.420782 0.263819 BFGS: 236 19:59:46 -131.422646 0.269039 BFGS: 237 19:59:47 -131.424593 0.273247 BFGS: 238 19:59:47 -131.427242 0.277328 BFGS: 239 19:59:48 -131.429355 0.280229 BFGS: 240 19:59:49 -131.431839 0.283537 BFGS: 241 19:59:50 -131.434165 0.285021 BFGS: 242 19:59:51 -131.436817 0.288317 BFGS: 243 19:59:52 -131.439916 0.288566 BFGS: 244 19:59:52 -131.442521 0.291683 BFGS: 245 19:59:53 -131.445486 0.291436 BFGS: 246 19:59:54 -131.448287 0.293653 BFGS: 247 19:59:55 -131.450898 0.293734 BFGS: 248 19:59:56 -131.454247 0.295667 BFGS: 249 19:59:57 -131.457231 0.295564 BFGS: 250 19:59:57 -131.460198 0.295835 BFGS: 251 19:59:58 -131.463443 0.296343 BFGS: 252 19:59:58 -131.467559 0.290615 BFGS: 253 19:59:59 -131.470729 0.285359 BFGS: 254 20:00:00 -131.476107 0.270271 BFGS: 255 20:00:01 -131.472667 0.425387 BFGS: 256 20:00:02 -131.481467 0.282703 BFGS: 257 20:00:02 -131.491115 0.344395 BFGS: 258 20:00:04 -131.500619 0.359039 BFGS: 259 20:00:05 -131.516980 0.210050 BFGS: 260 20:00:05 -131.523302 0.237381 BFGS: 261 20:00:06 -131.527315 0.261116 BFGS: 262 20:00:06 -131.532250 0.264357 BFGS: 263 20:00:07 -131.537382 0.271600 BFGS: 264 20:00:08 -131.541810 0.266011 BFGS: 265 20:00:09 -131.549731 0.254895 BFGS: 266 20:00:10 -131.554217 0.265734 BFGS: 267 20:00:11 -131.558332 0.281307 BFGS: 268 20:00:11 -131.563998 0.301104 BFGS: 269 20:00:12 -131.569653 0.306697 BFGS: 270 20:00:13 -131.576277 0.298696 BFGS: 271 20:00:13 -131.581093 0.306108 BFGS: 272 20:00:14 -131.586336 0.294966 BFGS: 273 20:00:15 -131.591456 0.280351 BFGS: 274 20:00:15 -131.596173 0.238112 BFGS: 275 20:00:16 -131.599704 0.194142 BFGS: 276 20:00:16 -131.602966 0.106878 BFGS: 277 20:00:17 -131.604822 0.160897 BFGS: 278 20:00:17 -131.607035 0.186653 BFGS: 279 20:00:18 -131.609115 0.289440 BFGS: 280 20:00:19 -131.612366 0.377170 BFGS: 281 20:00:20 -131.614815 0.383806 BFGS: 282 20:00:21 -131.618026 0.287383 BFGS: 283 20:00:22 -131.614254 0.327676 BFGS: 284 20:00:23 -131.621274 0.337285 BFGS: 285 20:00:24 -131.634475 0.158007 BFGS: 286 20:00:25 -131.629932 0.323886 BFGS: 287 20:00:26 -131.642029 0.119093 BFGS: 288 20:00:26 -131.644129 0.094160 BFGS: 289 20:00:27 -131.645342 0.094255 BFGS: 290 20:00:28 -131.646516 0.074146 BFGS: 291 20:00:29 -131.647222 0.097917 BFGS: 292 20:00:29 -131.648265 0.068865 BFGS: 293 20:00:30 -131.649545 0.077298 BFGS: 294 20:00:31 -131.652367 0.130849 BFGS: 295 20:00:31 -131.653423 0.138468 BFGS: 296 20:00:32 -131.653675 0.121616 BFGS: 297 20:00:33 -131.654159 0.085911 BFGS: 298 20:00:34 -131.655182 0.071327 BFGS: 299 20:00:34 -131.655618 0.064804 BFGS: 300 20:00:34 -131.657782 0.059803 BFGS: 301 20:00:36 -131.657100 0.057872 BFGS: 302 20:00:37 -131.657363 0.061208 BFGS: 303 20:00:37 -131.657423 0.065182 BFGS: 304 20:00:38 -131.657589 0.066608 BFGS: 305 20:00:38 -131.656499 0.070936 BFGS: 306 20:00:39 -131.656917 0.080944 BFGS: 307 20:00:39 -131.657915 0.093101 BFGS: 308 20:00:40 -131.658088 0.098536 BFGS: 309 20:00:41 -131.662172 0.099385 BFGS: 310 20:00:42 -131.666621 0.102228 BFGS: 311 20:00:42 -131.670135 0.127707 BFGS: 312 20:00:43 -131.673445 0.128249 BFGS: 313 20:00:44 -131.677009 0.134406 BFGS: 314 20:00:44 -131.681366 0.127629 BFGS: 315 20:00:45 -131.685966 0.121192 BFGS: 316 20:00:45 -131.689901 0.116823 BFGS: 317 20:00:46 -131.693965 0.130917 BFGS: 318 20:00:47 -131.698506 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-131.905302 0.303314 BFGS: 6591 21:09:05 -131.906975 0.270854 BFGS: 6592 21:09:05 -131.907623 0.387140 BFGS: 6593 21:09:06 -131.911099 0.176351 BFGS: 6594 21:09:07 -131.906766 0.275051 BFGS: 6595 21:09:07 -131.911383 0.156659 BFGS: 6596 21:09:08 -131.911529 0.144882 BFGS: 6597 21:09:08 -131.904618 0.314773 BFGS: 6598 21:09:09 -131.906469 0.280664 BFGS: 6599 21:09:10 -131.910463 0.212274 BFGS: 6600 21:09:10 -131.911179 0.171040 BFGS: 6601 21:09:11 -131.905304 0.303320 BFGS: 6602 21:09:12 -131.906970 0.270975 BFGS: 6603 21:09:13 -131.908749 0.232598 BFGS: 6604 21:09:13 -131.910906 0.187983 BFGS: 6605 21:09:14 -131.905920 0.291893 BFGS: 6606 21:09:14 -131.911459 0.150579 BFGS: 6607 21:09:15 -131.906889 0.272563 BFGS: 6608 21:09:16 -131.911550 0.142467 BFGS: 6609 21:09:16 -131.907090 0.268347 BFGS: 6610 21:09:17 -131.911569 0.139789 BFGS: 6611 21:09:18 -131.907134 0.267347 BFGS: 6612 21:09:19 -131.911573 0.138673 BFGS: 6613 21:09:20 -131.911576 0.136770 BFGS: 6614 21:09:21 -131.906767 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-131.911380 0.156512 BFGS: 6883 21:12:20 -131.911535 0.144081 BFGS: 6884 21:12:21 -131.904391 0.317772 BFGS: 6885 21:12:22 -131.906412 0.281563 BFGS: 6886 21:12:22 -131.910372 0.215532 BFGS: 6887 21:12:23 -131.911158 0.171907 BFGS: 6888 21:12:24 -131.905142 0.305666 BFGS: 6889 21:12:24 -131.906947 0.271527 BFGS: 6890 21:12:25 -131.907661 0.391350 BFGS: 6891 21:12:26 -131.911081 0.176954 BFGS: 6892 21:12:27 -131.906732 0.275797 BFGS: 6893 21:12:27 -131.911381 0.156499 BFGS: 6894 21:12:28 -131.911533 0.144229 BFGS: 6895 21:12:28 -131.904444 0.317124 BFGS: 6896 21:12:29 -131.906426 0.281412 BFGS: 6897 21:12:30 -131.910392 0.214767 BFGS: 6898 21:12:30 -131.911162 0.171695 BFGS: 6899 21:12:31 -131.905181 0.305159 BFGS: 6900 21:12:31 -131.906954 0.271441 BFGS: 6901 21:12:32 -131.907704 0.390258 BFGS: 6902 21:12:33 -131.911085 0.176756 BFGS: 6903 21:12:33 -131.906741 0.275689 BFGS: 6904 21:12:34 -131.911381 0.156490 BFGS: 6905 21:12:34 -131.911532 0.144355 BFGS: 6906 21:12:35 -131.904488 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-131.906974 0.271196 BFGS: 6956 21:13:07 -131.907618 0.386987 BFGS: 6957 21:13:07 -131.911098 0.176121 BFGS: 6958 21:13:07 -131.906768 0.275324 BFGS: 6959 21:13:08 -131.911382 0.156456 BFGS: 6960 21:13:09 -131.911528 0.144729 BFGS: 6961 21:13:09 -131.904619 0.314978 BFGS: 6962 21:13:09 -131.906473 0.280907 BFGS: 6963 21:13:10 -131.910458 0.212197 BFGS: 6964 21:13:11 -131.911175 0.170976 BFGS: 6965 21:13:12 -131.905308 0.303476 BFGS: 6966 21:13:12 -131.906977 0.271168 BFGS: 6967 21:13:13 -131.908742 0.232665 BFGS: 6968 21:13:14 -131.910901 0.188001 BFGS: 6969 21:13:14 -131.905923 0.292127 BFGS: 6970 21:13:15 -131.911456 0.150565 BFGS: 6971 21:13:15 -131.906895 0.272750 BFGS: 6972 21:13:16 -131.911547 0.142583 BFGS: 6973 21:13:16 -131.907097 0.268538 BFGS: 6974 21:13:17 -131.911566 0.140192 BFGS: 6975 21:13:17 -131.907142 0.267543 BFGS: 6976 21:13:18 -131.911570 0.139430 BFGS: 6977 21:13:19 -131.911572 0.138732 BFGS: 6978 21:13:19 -131.906110 0.282857 BFGS: 6979 21:13:20 -131.906826 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-131.910419 0.213669 BFGS: 7102 21:14:29 -131.911165 0.171423 BFGS: 7103 21:14:30 -131.905243 0.304438 BFGS: 7104 21:14:31 -131.906969 0.271371 BFGS: 7105 21:14:32 -131.907760 0.388717 BFGS: 7106 21:14:32 -131.911089 0.176508 BFGS: 7107 21:14:33 -131.906760 0.275583 BFGS: 7108 21:14:33 -131.911379 0.156527 BFGS: 7109 21:14:34 -131.911527 0.144642 BFGS: 7110 21:14:34 -131.904559 0.315827 BFGS: 7111 21:14:35 -131.906460 0.281137 BFGS: 7112 21:14:36 -131.910431 0.213235 BFGS: 7113 21:14:36 -131.911168 0.171304 BFGS: 7114 21:14:37 -131.905265 0.304152 BFGS: 7115 21:14:37 -131.906974 0.271323 BFGS: 7116 21:14:38 -131.907570 0.388148 BFGS: 7117 21:14:38 -131.911091 0.176382 BFGS: 7118 21:14:39 -131.906765 0.275481 BFGS: 7119 21:14:39 -131.911379 0.156529 BFGS: 7120 21:14:40 -131.911526 0.144720 BFGS: 7121 21:14:40 -131.904581 0.315542 BFGS: 7122 21:14:41 -131.906466 0.281071 BFGS: 7123 21:14:41 -131.910439 0.212886 BFGS: 7124 21:14:42 -131.911170 0.171204 BFGS: 7125 21:14:43 -131.905282 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-131.904629 0.315089 BFGS: 7321 21:16:34 -131.906483 0.281015 BFGS: 7322 21:16:35 -131.910453 0.212289 BFGS: 7323 21:16:35 -131.911170 0.171052 BFGS: 7324 21:16:36 -131.905318 0.303591 BFGS: 7325 21:16:37 -131.906988 0.271311 BFGS: 7326 21:16:37 -131.907619 0.386773 BFGS: 7327 21:16:38 -131.911094 0.176139 BFGS: 7328 21:16:39 -131.906782 0.275414 BFGS: 7329 21:16:39 -131.911376 0.156539 BFGS: 7330 21:16:40 -131.911522 0.144951 BFGS: 7331 21:16:40 -131.904643 0.314914 BFGS: 7332 21:16:41 -131.906487 0.280974 BFGS: 7333 21:16:41 -131.910458 0.212076 BFGS: 7334 21:16:42 -131.911171 0.170994 BFGS: 7335 21:16:43 -131.905329 0.303450 BFGS: 7336 21:16:43 -131.906990 0.271286 BFGS: 7337 21:16:44 -131.907631 0.386462 BFGS: 7338 21:16:45 -131.911095 0.176083 BFGS: 7339 21:16:46 -131.906785 0.275383 BFGS: 7340 21:16:46 -131.911376 0.156539 BFGS: 7341 21:16:47 -131.911522 0.144989 BFGS: 7342 21:16:48 -131.904657 0.314757 BFGS: 7343 21:16:48 -131.906490 0.280936 BFGS: 7344 21:16:49 -131.910463 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-131.911161 0.171566 BFGS: 7394 21:17:18 -131.905288 0.304000 BFGS: 7395 21:17:19 -131.906989 0.271316 BFGS: 7396 21:17:19 -131.907776 0.388203 BFGS: 7397 21:17:20 -131.911085 0.176587 BFGS: 7398 21:17:21 -131.906779 0.275533 BFGS: 7399 21:17:22 -131.911373 0.156729 BFGS: 7400 21:17:22 -131.911521 0.145031 BFGS: 7401 21:17:23 -131.904603 0.315436 BFGS: 7402 21:17:24 -131.906479 0.281066 BFGS: 7403 21:17:24 -131.910437 0.212919 BFGS: 7404 21:17:25 -131.911165 0.171306 BFGS: 7405 21:17:26 -131.905299 0.303890 BFGS: 7406 21:17:26 -131.906988 0.271351 BFGS: 7407 21:17:27 -131.907799 0.387583 BFGS: 7408 21:17:27 -131.911089 0.176380 BFGS: 7409 21:17:28 -131.906780 0.275528 BFGS: 7410 21:17:29 -131.911374 0.156625 BFGS: 7411 21:17:29 -131.911521 0.144976 BFGS: 7412 21:17:30 -131.904620 0.315256 BFGS: 7413 21:17:31 -131.906483 0.281046 BFGS: 7414 21:17:31 -131.910445 0.212578 BFGS: 7415 21:17:32 -131.911167 0.171175 BFGS: 7416 21:17:32 -131.905312 0.303738 BFGS: 7417 21:17:33 -131.906989 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-131.907525 0.395347 BFGS: 7467 21:18:00 -131.911006 0.181164 BFGS: 7468 21:18:00 -131.906840 0.274230 BFGS: 7469 21:18:01 -131.911322 0.160222 BFGS: 7470 21:18:02 -131.911482 0.148394 BFGS: 7471 21:18:02 -131.904627 0.314532 BFGS: 7472 21:18:03 -131.906525 0.280132 BFGS: 7473 21:18:03 -131.910362 0.216084 BFGS: 7474 21:18:04 -131.911127 0.173538 BFGS: 7475 21:18:04 -131.905310 0.303423 BFGS: 7476 21:18:05 -131.907023 0.270675 BFGS: 7477 21:18:05 -131.907681 0.390839 BFGS: 7478 21:18:06 -131.911059 0.178061 BFGS: 7479 21:18:07 -131.906795 0.275213 BFGS: 7480 21:18:08 -131.911356 0.157810 BFGS: 7481 21:18:08 -131.911509 0.146067 BFGS: 7482 21:18:09 -131.904593 0.315401 BFGS: 7483 21:18:10 -131.906490 0.280858 BFGS: 7484 21:18:10 -131.910406 0.214170 BFGS: 7485 21:18:11 -131.911151 0.172071 BFGS: 7486 21:18:12 -131.905290 0.303947 BFGS: 7487 21:18:12 -131.906998 0.271203 BFGS: 7488 21:18:12 -131.907745 0.389007 BFGS: 7489 21:18:13 -131.911077 0.176976 BFGS: 7490 21:18:13 -131.906783 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-131.906819 0.274787 BFGS: 7686 21:20:01 -131.911339 0.158909 BFGS: 7687 21:20:01 -131.911494 0.147179 BFGS: 7688 21:20:02 -131.904615 0.314903 BFGS: 7689 21:20:03 -131.906511 0.280584 BFGS: 7690 21:20:03 -131.910384 0.214971 BFGS: 7691 21:20:04 -131.911138 0.172732 BFGS: 7692 21:20:04 -131.905306 0.303680 BFGS: 7693 21:20:05 -131.907014 0.271032 BFGS: 7694 21:20:05 -131.907711 0.389843 BFGS: 7695 21:20:06 -131.911066 0.177480 BFGS: 7696 21:20:06 -131.906794 0.275413 BFGS: 7697 21:20:07 -131.911360 0.157395 BFGS: 7698 21:20:08 -131.911511 0.145719 BFGS: 7699 21:20:08 -131.904602 0.315432 BFGS: 7700 21:20:09 -131.906491 0.281022 BFGS: 7701 21:20:09 -131.910414 0.213702 BFGS: 7702 21:20:10 -131.911154 0.171792 BFGS: 7703 21:20:10 -131.905299 0.303975 BFGS: 7704 21:20:12 -131.907000 0.271354 BFGS: 7705 21:20:12 -131.907757 0.388559 BFGS: 7706 21:20:13 -131.911078 0.176779 BFGS: 7707 21:20:13 -131.906788 0.275578 BFGS: 7708 21:20:14 -131.911367 0.156890 BFGS: 7709 21:20:14 -131.911516 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-131.905350 0.303447 BFGS: 7759 21:20:45 -131.907003 0.271390 BFGS: 7760 21:20:46 -131.907626 0.386463 BFGS: 7761 21:20:46 -131.911090 0.176163 BFGS: 7762 21:20:47 -131.906797 0.275460 BFGS: 7763 21:20:48 -131.911371 0.156654 BFGS: 7764 21:20:48 -131.911516 0.145215 BFGS: 7765 21:20:48 -131.904676 0.314742 BFGS: 7766 21:20:49 -131.906503 0.280994 BFGS: 7767 21:20:50 -131.910460 0.211912 BFGS: 7768 21:20:50 -131.911168 0.171018 BFGS: 7769 21:20:50 -131.905357 0.303353 BFGS: 7770 21:20:51 -131.907004 0.271380 BFGS: 7771 21:20:51 -131.907635 0.386227 BFGS: 7772 21:20:52 -131.911091 0.176118 BFGS: 7773 21:20:53 -131.906799 0.275437 BFGS: 7774 21:20:53 -131.911371 0.156648 BFGS: 7775 21:20:54 -131.911516 0.145236 BFGS: 7776 21:20:54 -131.904686 0.314623 BFGS: 7777 21:20:54 -131.906506 0.280968 BFGS: 7778 21:20:55 -131.910464 0.211759 BFGS: 7779 21:20:56 -131.911169 0.170974 BFGS: 7780 21:20:56 -131.905364 0.303258 BFGS: 7781 21:20:57 -131.907005 0.271366 BFGS: 7782 21:20:58 -131.908750 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-131.911083 0.176484 BFGS: 7832 21:21:26 -131.906791 0.275630 BFGS: 7833 21:21:26 -131.911369 0.156727 BFGS: 7834 21:21:27 -131.911516 0.145162 BFGS: 7835 21:21:28 -131.904630 0.315315 BFGS: 7836 21:21:28 -131.906493 0.281152 BFGS: 7837 21:21:28 -131.910439 0.212695 BFGS: 7838 21:21:29 -131.911162 0.171264 BFGS: 7839 21:21:29 -131.905323 0.303836 BFGS: 7840 21:21:30 -131.907000 0.271483 BFGS: 7841 21:21:30 -131.907801 0.387347 BFGS: 7842 21:21:31 -131.911085 0.176365 BFGS: 7843 21:21:31 -131.906793 0.275610 BFGS: 7844 21:21:32 -131.911369 0.156684 BFGS: 7845 21:21:32 -131.911516 0.145162 BFGS: 7846 21:21:33 -131.904645 0.315155 BFGS: 7847 21:21:33 -131.906497 0.281118 BFGS: 7848 21:21:34 -131.910445 0.212443 BFGS: 7849 21:21:34 -131.911164 0.171180 BFGS: 7850 21:21:35 -131.905334 0.303703 BFGS: 7851 21:21:35 -131.907002 0.271466 BFGS: 7852 21:21:36 -131.907816 0.386986 BFGS: 7853 21:21:37 -131.911087 0.176290 BFGS: 7854 21:21:37 -131.906796 0.275580 BFGS: 7855 21:21:38 -131.911370 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-131.911564 0.139827 BFGS: 7905 21:22:05 -131.905011 0.307009 BFGS: 7906 21:22:06 -131.906538 0.279359 BFGS: 7907 21:22:06 -131.910333 0.217458 BFGS: 7908 21:22:07 -131.911113 0.174201 BFGS: 7909 21:22:07 -131.905316 0.303465 BFGS: 7910 21:22:08 -131.907039 0.270824 BFGS: 7911 21:22:08 -131.907646 0.391375 BFGS: 7912 21:22:09 -131.911048 0.178457 BFGS: 7913 21:22:10 -131.906807 0.275178 BFGS: 7914 21:22:10 -131.911348 0.158084 BFGS: 7915 21:22:11 -131.911502 0.146408 BFGS: 7916 21:22:11 -131.904608 0.315197 BFGS: 7917 21:22:12 -131.906503 0.280904 BFGS: 7918 21:22:12 -131.910396 0.214306 BFGS: 7919 21:22:13 -131.911144 0.172236 BFGS: 7920 21:22:13 -131.905304 0.303887 BFGS: 7921 21:22:14 -131.907011 0.271292 BFGS: 7922 21:22:14 -131.907726 0.389271 BFGS: 7923 21:22:15 -131.911070 0.177129 BFGS: 7924 21:22:16 -131.906794 0.275565 BFGS: 7925 21:22:16 -131.911362 0.157146 BFGS: 7926 21:22:16 -131.911511 0.145522 BFGS: 7927 21:22:17 -131.904609 0.315480 BFGS: 7928 21:22:17 -131.906493 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-131.911365 0.156816 BFGS: 8051 21:23:31 -131.911513 0.145261 BFGS: 8052 21:23:32 -131.904625 0.315437 BFGS: 8053 21:23:32 -131.906496 0.281229 BFGS: 8054 21:23:33 -131.910430 0.212928 BFGS: 8055 21:23:33 -131.911158 0.171368 BFGS: 8056 21:23:34 -131.905320 0.303967 BFGS: 8057 21:23:34 -131.907005 0.271564 BFGS: 8058 21:23:35 -131.907783 0.387709 BFGS: 8059 21:23:35 -131.911081 0.176467 BFGS: 8060 21:23:36 -131.906797 0.275683 BFGS: 8061 21:23:36 -131.911367 0.156743 BFGS: 8062 21:23:37 -131.911514 0.145232 BFGS: 8063 21:23:38 -131.904640 0.315297 BFGS: 8064 21:23:38 -131.906499 0.281201 BFGS: 8065 21:23:39 -131.910438 0.212650 BFGS: 8066 21:23:39 -131.911160 0.171265 BFGS: 8067 21:23:40 -131.905332 0.303845 BFGS: 8068 21:23:40 -131.907006 0.271554 BFGS: 8069 21:23:41 -131.907799 0.387312 BFGS: 8070 21:23:42 -131.911083 0.176376 BFGS: 8071 21:23:42 -131.906799 0.275656 BFGS: 8072 21:23:43 -131.911367 0.156720 BFGS: 8073 21:23:43 -131.911513 0.145250 BFGS: 8074 21:23:44 -131.904655 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-131.904819 0.310883 BFGS: 8270 21:25:32 -131.906496 0.280004 BFGS: 8271 21:25:33 -131.910371 0.216137 BFGS: 8272 21:25:33 -131.911136 0.172725 BFGS: 8273 21:25:34 -131.905284 0.304623 BFGS: 8274 21:25:34 -131.907014 0.271717 BFGS: 8275 21:25:35 -131.907699 0.389680 BFGS: 8276 21:25:35 -131.911064 0.177313 BFGS: 8277 21:25:36 -131.906796 0.275649 BFGS: 8278 21:25:36 -131.911358 0.157150 BFGS: 8279 21:25:37 -131.911509 0.145548 BFGS: 8280 21:25:37 -131.904608 0.315501 BFGS: 8281 21:25:38 -131.906497 0.281287 BFGS: 8282 21:25:38 -131.910412 0.213475 BFGS: 8283 21:25:39 -131.911150 0.171655 BFGS: 8284 21:25:39 -131.905310 0.304096 BFGS: 8285 21:25:40 -131.907009 0.271611 BFGS: 8286 21:25:40 -131.907746 0.388517 BFGS: 8287 21:25:41 -131.911073 0.176714 BFGS: 8288 21:25:41 -131.906798 0.275748 BFGS: 8289 21:25:42 -131.911362 0.156874 BFGS: 8290 21:25:42 -131.911511 0.145342 BFGS: 8291 21:25:43 -131.904625 0.315468 BFGS: 8292 21:25:43 -131.906499 0.281309 BFGS: 8293 21:25:44 -131.910424 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-131.911083 0.176281 BFGS: 8343 21:26:12 -131.906811 0.275640 BFGS: 8344 21:26:12 -131.911364 0.156765 BFGS: 8345 21:26:13 -131.911510 0.145424 BFGS: 8346 21:26:13 -131.904693 0.314826 BFGS: 8347 21:26:14 -131.906517 0.281117 BFGS: 8348 21:26:15 -131.910453 0.212041 BFGS: 8349 21:26:15 -131.911161 0.171120 BFGS: 8350 21:26:16 -131.905372 0.303492 BFGS: 8351 21:26:16 -131.907018 0.271561 BFGS: 8352 21:26:17 -131.907832 0.386402 BFGS: 8353 21:26:18 -131.911084 0.176242 BFGS: 8354 21:26:18 -131.906814 0.275615 BFGS: 8355 21:26:18 -131.911364 0.156767 BFGS: 8356 21:26:19 -131.911509 0.145455 BFGS: 8357 21:26:20 -131.904703 0.314709 BFGS: 8358 21:26:20 -131.906520 0.281083 BFGS: 8359 21:26:21 -131.910457 0.211902 BFGS: 8360 21:26:22 -131.911162 0.171086 BFGS: 8361 21:26:22 -131.905380 0.303399 BFGS: 8362 21:26:23 -131.907020 0.271544 BFGS: 8363 21:26:24 -131.907841 0.386189 BFGS: 8364 21:26:24 -131.911085 0.176207 BFGS: 8365 21:26:25 -131.906816 0.275592 BFGS: 8366 21:26:25 -131.911364 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-131.911512 0.145163 BFGS: 8416 21:26:53 -131.904609 0.315595 BFGS: 8417 21:26:53 -131.906495 0.281440 BFGS: 8418 21:26:54 -131.910420 0.213067 BFGS: 8419 21:26:54 -131.911153 0.171384 BFGS: 8420 21:26:55 -131.905313 0.304158 BFGS: 8421 21:26:56 -131.907009 0.271739 BFGS: 8422 21:26:57 -131.907758 0.388121 BFGS: 8423 21:26:57 -131.911076 0.176517 BFGS: 8424 21:26:58 -131.906800 0.275817 BFGS: 8425 21:26:58 -131.911363 0.156749 BFGS: 8426 21:26:59 -131.911511 0.145258 BFGS: 8427 21:27:00 -131.904633 0.315434 BFGS: 8428 21:27:00 -131.906502 0.281365 BFGS: 8429 21:27:01 -131.910427 0.212851 BFGS: 8430 21:27:01 -131.911155 0.171337 BFGS: 8431 21:27:02 -131.905329 0.304022 BFGS: 8432 21:27:02 -131.907012 0.271704 BFGS: 8433 21:27:03 -131.907775 0.387743 BFGS: 8434 21:27:04 -131.911077 0.176467 BFGS: 8435 21:27:04 -131.906804 0.275779 BFGS: 8436 21:27:05 -131.911363 0.156771 BFGS: 8437 21:27:05 -131.911510 0.145325 BFGS: 8438 21:27:06 -131.904650 0.315302 BFGS: 8439 21:27:07 -131.906507 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-131.907832 0.386354 BFGS: 8489 21:27:35 -131.911083 0.176248 BFGS: 8490 21:27:36 -131.906818 0.275636 BFGS: 8491 21:27:36 -131.911363 0.156794 BFGS: 8492 21:27:37 -131.911508 0.145514 BFGS: 8493 21:27:37 -131.904710 0.314684 BFGS: 8494 21:27:38 -131.906524 0.281099 BFGS: 8495 21:27:38 -131.910457 0.211878 BFGS: 8496 21:27:39 -131.911161 0.171093 BFGS: 8497 21:27:40 -131.905386 0.303396 BFGS: 8498 21:27:40 -131.907024 0.271580 BFGS: 8499 21:27:41 -131.907840 0.386151 BFGS: 8500 21:27:41 -131.911084 0.176215 BFGS: 8501 21:27:42 -131.906820 0.275614 BFGS: 8502 21:27:43 -131.911363 0.156797 BFGS: 8503 21:27:43 -131.911507 0.145542 BFGS: 8504 21:27:44 -131.904719 0.314585 BFGS: 8505 21:27:44 -131.906527 0.281070 BFGS: 8506 21:27:45 -131.910460 0.211760 BFGS: 8507 21:27:45 -131.911161 0.171064 BFGS: 8508 21:27:46 -131.905393 0.303317 BFGS: 8509 21:27:47 -131.907025 0.271565 BFGS: 8510 21:27:48 -131.907848 0.385970 BFGS: 8511 21:27:48 -131.911084 0.176187 BFGS: 8512 21:27:49 -131.906821 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8610 21:28:43 -131.911158 0.171170 BFGS: 8611 21:28:44 -131.905377 0.303581 BFGS: 8612 21:28:44 -131.907024 0.271652 BFGS: 8613 21:28:44 -131.907822 0.386558 BFGS: 8614 21:28:45 -131.911081 0.176294 BFGS: 8615 21:28:45 -131.906819 0.275684 BFGS: 8616 21:28:46 -131.911361 0.156816 BFGS: 8617 21:28:46 -131.911506 0.145536 BFGS: 8618 21:28:47 -131.904707 0.314778 BFGS: 8619 21:28:48 -131.906525 0.281151 BFGS: 8620 21:28:48 -131.910453 0.211998 BFGS: 8621 21:28:48 -131.911159 0.171136 BFGS: 8622 21:28:49 -131.905384 0.303491 BFGS: 8623 21:28:49 -131.907026 0.271634 BFGS: 8624 21:28:49 -131.907831 0.386342 BFGS: 8625 21:28:49 -131.911082 0.176260 BFGS: 8626 21:28:49 -131.906821 0.275661 BFGS: 8627 21:28:50 -131.911361 0.156820 BFGS: 8628 21:28:50 -131.911506 0.145567 BFGS: 8629 21:28:50 -131.904716 0.314675 BFGS: 8630 21:28:50 -131.906528 0.281119 BFGS: 8631 21:28:51 -131.910456 0.211874 BFGS: 8632 21:28:51 -131.911159 0.171106 BFGS: 8633 21:28:52 -131.905392 0.303408 BFGS: 8634 21:28:52 -131.907027 0.271618 BFGS: 8635 21:28:53 -131.907839 0.386146 BFGS: 8636 21:28:53 -131.911082 0.176229 BFGS: 8637 21:28:54 -131.906823 0.275640 BFGS: 8638 21:28:54 -131.911361 0.156824 BFGS: 8639 21:28:55 -131.911506 0.145594 BFGS: 8640 21:28:56 -131.904725 0.314580 BFGS: 8641 21:28:56 -131.906531 0.281090 BFGS: 8642 21:28:57 -131.910460 0.211761 BFGS: 8643 21:28:57 -131.911160 0.171078 BFGS: 8644 21:28:58 -131.905398 0.303331 BFGS: 8645 21:28:58 -131.907028 0.271604 BFGS: 8646 21:28:58 -131.907846 0.385969 BFGS: 8647 21:28:59 -131.911083 0.176202 BFGS: 8648 21:28:59 -131.906825 0.275621 BFGS: 8649 21:29:00 -131.911361 0.156828 BFGS: 8650 21:29:01 -131.911505 0.145620 BFGS: 8651 21:29:02 -131.904733 0.314493 BFGS: 8652 21:29:02 -131.906533 0.281064 BFGS: 8653 21:29:03 -131.910462 0.211658 BFGS: 8654 21:29:03 -131.911160 0.171053 BFGS: 8655 21:29:04 -131.905404 0.303262 BFGS: 8656 21:29:04 -131.907030 0.271591 BFGS: 8657 21:29:04 -131.907852 0.385809 BFGS: 8658 21:29:05 -131.911084 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8683 21:29:16 -131.907756 0.387829 BFGS: 8684 21:29:16 -131.911082 0.176099 BFGS: 8685 21:29:17 -131.906786 0.276134 BFGS: 8686 21:29:17 -131.911368 0.156178 BFGS: 8687 21:29:17 -131.911516 0.144655 BFGS: 8688 21:29:18 -131.904611 0.315778 BFGS: 8689 21:29:18 -131.906493 0.281679 BFGS: 8690 21:29:19 -131.910428 0.212571 BFGS: 8691 21:29:19 -131.911157 0.171038 BFGS: 8692 21:29:20 -131.905318 0.304295 BFGS: 8693 21:29:20 -131.907009 0.271946 BFGS: 8694 21:29:21 -131.907770 0.387672 BFGS: 8695 21:29:21 -131.911077 0.176270 BFGS: 8696 21:29:22 -131.906803 0.275938 BFGS: 8697 21:29:22 -131.911363 0.156595 BFGS: 8698 21:29:23 -131.911510 0.145166 BFGS: 8699 21:29:23 -131.904645 0.315426 BFGS: 8700 21:29:24 -131.906507 0.281469 BFGS: 8701 21:29:24 -131.910430 0.212622 BFGS: 8702 21:29:24 -131.911154 0.171222 BFGS: 8703 21:29:24 -131.905340 0.304041 BFGS: 8704 21:29:24 -131.907017 0.271816 BFGS: 8705 21:29:25 -131.907779 0.387525 BFGS: 8706 21:29:25 -131.911076 0.176390 BFGS: 8707 21:29:26 -131.906810 0.275846 BFGS: 8708 21:29:27 -131.911361 0.156755 BFGS: 8709 21:29:27 -131.911507 0.145372 BFGS: 8710 21:29:28 -131.904664 0.315252 BFGS: 8711 21:29:28 -131.906514 0.281365 BFGS: 8712 21:29:29 -131.910435 0.212542 BFGS: 8713 21:29:29 -131.911154 0.171260 BFGS: 8714 21:29:30 -131.905353 0.303898 BFGS: 8715 21:29:30 -131.907021 0.271762 BFGS: 8716 21:29:31 -131.907790 0.387285 BFGS: 8717 21:29:31 -131.911076 0.176400 BFGS: 8718 21:29:32 -131.906815 0.275797 BFGS: 8719 21:29:32 -131.911360 0.156808 BFGS: 8720 21:29:32 -131.911506 0.145463 BFGS: 8721 21:29:33 -131.904679 0.315112 BFGS: 8722 21:29:34 -131.906519 0.281299 BFGS: 8723 21:29:34 -131.910439 0.212406 BFGS: 8724 21:29:34 -131.911155 0.171244 BFGS: 8725 21:29:35 -131.905364 0.303783 BFGS: 8726 21:29:36 -131.907024 0.271731 BFGS: 8727 21:29:36 -131.907801 0.387025 BFGS: 8728 21:29:37 -131.911077 0.176375 BFGS: 8729 21:29:37 -131.906818 0.275763 BFGS: 8730 21:29:38 -131.911360 0.156828 BFGS: 8731 21:29:39 -131.911506 0.145516 BFGS: 8732 21:29:39 -131.904691 0.314989 BFGS: 8733 21:29:40 -131.906523 0.281249 BFGS: 8734 21:29:40 -131.910444 0.212262 BFGS: 8735 21:29:41 -131.911156 0.171213 BFGS: 8736 21:29:41 -131.905374 0.303681 BFGS: 8737 21:29:42 -131.907026 0.271708 BFGS: 8738 21:29:42 -131.907812 0.386775 BFGS: 8739 21:29:43 -131.911078 0.176340 BFGS: 8740 21:29:44 -131.906820 0.275734 BFGS: 8741 21:29:44 -131.911360 0.156837 BFGS: 8742 21:29:45 -131.911505 0.145556 BFGS: 8743 21:29:45 -131.904702 0.314873 BFGS: 8744 21:29:46 -131.906526 0.281207 BFGS: 8745 21:29:46 -131.910448 0.212123 BFGS: 8746 21:29:47 -131.911157 0.171181 BFGS: 8747 21:29:47 -131.905382 0.303587 BFGS: 8748 21:29:47 -131.907028 0.271689 BFGS: 8749 21:29:48 -131.907821 0.386545 BFGS: 8750 21:29:48 -131.911079 0.176306 BFGS: 8751 21:29:49 -131.906823 0.275709 BFGS: 8752 21:29:49 -131.911360 0.156843 BFGS: 8753 21:29:50 -131.911505 0.145590 BFGS: 8754 21:29:50 -131.904713 0.314764 BFGS: 8755 21:29:51 -131.906529 0.281170 BFGS: 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-131.905403 0.303346 BFGS: 8781 21:30:04 -131.907032 0.271642 BFGS: 8782 21:30:05 -131.907844 0.385971 BFGS: 8783 21:30:05 -131.911082 0.176218 BFGS: 8784 21:30:06 -131.906828 0.275646 BFGS: 8785 21:30:06 -131.911360 0.156856 BFGS: 8786 21:30:07 -131.911504 0.145672 BFGS: 8787 21:30:07 -131.904738 0.314492 BFGS: 8788 21:30:08 -131.906536 0.281085 BFGS: 8789 21:30:09 -131.910462 0.211664 BFGS: 8790 21:30:09 -131.911159 0.171069 BFGS: 8791 21:30:10 -131.905409 0.303280 BFGS: 8792 21:30:11 -131.907033 0.271630 BFGS: 8793 21:30:11 -131.907850 0.385814 BFGS: 8794 21:30:12 -131.911082 0.176193 BFGS: 8795 21:30:12 -131.906830 0.275630 BFGS: 8796 21:30:13 -131.911360 0.156859 BFGS: 8797 21:30:13 -131.911504 0.145695 BFGS: 8798 21:30:13 -131.904745 0.314415 BFGS: 8799 21:30:14 -131.906538 0.281062 BFGS: 8800 21:30:14 -131.910464 0.211572 BFGS: 8801 21:30:15 -131.911160 0.171047 BFGS: 8802 21:30:15 -131.905414 0.303219 BFGS: 8803 21:30:16 -131.907034 0.271619 BFGS: 8804 21:30:16 -131.907856 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-131.911431 0.151072 BFGS: 8854 21:30:41 -131.906956 0.273101 BFGS: 8855 21:30:42 -131.911521 0.143976 BFGS: 8856 21:30:42 -131.911574 0.137134 BFGS: 8857 21:30:43 -131.904931 0.310747 BFGS: 8858 21:30:43 -131.906515 0.280915 BFGS: 8859 21:30:44 -131.910478 0.211390 BFGS: 8860 21:30:44 -131.911170 0.170390 BFGS: 8861 21:30:44 -131.905394 0.303949 BFGS: 8862 21:30:45 -131.907020 0.272054 BFGS: 8863 21:30:45 -131.908983 0.230997 BFGS: 8864 21:30:46 -131.910897 0.187319 BFGS: 8865 21:30:47 -131.905988 0.292876 BFGS: 8866 21:30:47 -131.911438 0.150465 BFGS: 8867 21:30:48 -131.906942 0.273411 BFGS: 8868 21:30:49 -131.911528 0.143302 BFGS: 8869 21:30:49 -131.907140 0.269193 BFGS: 8870 21:30:49 -131.911546 0.141529 BFGS: 8871 21:30:50 -131.911558 0.140121 BFGS: 8872 21:30:50 -131.904702 0.314024 BFGS: 8873 21:30:51 -131.906472 0.280432 BFGS: 8874 21:30:51 -131.910406 0.215289 BFGS: 8875 21:30:52 -131.911152 0.171584 BFGS: 8876 21:30:52 -131.905276 0.305796 BFGS: 8877 21:30:53 -131.907002 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-131.907059 0.271994 BFGS: 9876 21:38:10 -131.907818 0.386229 BFGS: 9877 21:38:10 -131.911068 0.176373 BFGS: 9878 21:38:10 -131.906855 0.275913 BFGS: 9879 21:38:10 -131.911347 0.157082 BFGS: 9880 21:38:11 -131.911491 0.146055 BFGS: 9881 21:38:11 -131.904770 0.314582 BFGS: 9882 21:38:11 -131.906563 0.281321 BFGS: 9883 21:38:12 -131.910450 0.211828 BFGS: 9884 21:38:12 -131.911147 0.171227 BFGS: 9885 21:38:12 -131.905440 0.303535 BFGS: 9886 21:38:12 -131.907060 0.271983 BFGS: 9887 21:38:13 -131.907825 0.386073 BFGS: 9888 21:38:13 -131.911069 0.176350 BFGS: 9889 21:38:14 -131.906856 0.275897 BFGS: 9890 21:38:14 -131.911347 0.157085 BFGS: 9891 21:38:14 -131.911491 0.146077 BFGS: 9892 21:38:15 -131.904777 0.314513 BFGS: 9893 21:38:15 -131.906565 0.281294 BFGS: 9894 21:38:15 -131.910452 0.211743 BFGS: 9895 21:38:16 -131.911147 0.171207 BFGS: 9896 21:38:16 -131.905445 0.303479 BFGS: 9897 21:38:16 -131.907061 0.271971 BFGS: 9898 21:38:17 -131.907831 0.385931 BFGS: 9899 21:38:17 -131.911070 0.176330 BFGS: 9900 21:38:17 -131.906858 0.275881 BFGS: 9901 21:38:18 -131.911347 0.157090 BFGS: 9902 21:38:18 -131.911491 0.146099 BFGS: 9903 21:38:18 -131.904783 0.314445 BFGS: 9904 21:38:19 -131.906567 0.281270 BFGS: 9905 21:38:19 -131.910455 0.211664 BFGS: 9906 21:38:19 -131.911148 0.171190 BFGS: 9907 21:38:20 -131.905450 0.303424 BFGS: 9908 21:38:20 -131.907062 0.271960 BFGS: 9909 21:38:20 -131.907836 0.385799 BFGS: 9910 21:38:21 -131.911070 0.176311 BFGS: 9911 21:38:21 -131.906859 0.275865 BFGS: 9912 21:38:21 -131.911347 0.157095 BFGS: 9913 21:38:22 -131.911490 0.146120 BFGS: 9914 21:38:22 -131.904789 0.314380 BFGS: 9915 21:38:22 -131.906569 0.281248 BFGS: 9916 21:38:23 -131.910457 0.211589 BFGS: 9917 21:38:23 -131.911148 0.171173 BFGS: 9918 21:38:23 -131.905455 0.303373 BFGS: 9919 21:38:24 -131.907063 0.271950 BFGS: 9920 21:38:24 -131.907841 0.385677 BFGS: 9921 21:38:24 -131.911071 0.176294 BFGS: 9922 21:38:24 -131.906861 0.275851 BFGS: 9923 21:38:25 -131.911347 0.157100 BFGS: 9924 21:38:25 -131.911490 0.146140 BFGS: 9925 21:38:26 -131.904795 0.314319 BFGS: 9926 21:38:26 -131.906571 0.281228 BFGS: 9927 21:38:26 -131.910459 0.211519 BFGS: 9928 21:38:27 -131.911149 0.171158 BFGS: 9929 21:38:27 -131.905459 0.303325 BFGS: 9930 21:38:27 -131.907064 0.271941 BFGS: 9931 21:38:28 -131.907845 0.385563 BFGS: 9932 21:38:28 -131.911071 0.176278 BFGS: 9933 21:38:29 -131.906862 0.275839 BFGS: 9934 21:38:29 -131.911347 0.157104 BFGS: 9935 21:38:29 -131.911490 0.146158 BFGS: 9936 21:38:29 -131.904800 0.314263 BFGS: 9937 21:38:29 -131.906572 0.281210 BFGS: 9938 21:38:30 -131.910461 0.211454 BFGS: 9939 21:38:30 -131.911149 0.171143 BFGS: 9940 21:38:30 -131.905463 0.303280 BFGS: 9941 21:38:31 -131.907065 0.271933 BFGS: 9942 21:38:31 -131.907850 0.385458 BFGS: 9943 21:38:32 -131.911072 0.176263 BFGS: 9944 21:38:32 -131.906863 0.275828 BFGS: 9945 21:38:32 -131.911347 0.157108 BFGS: 9946 21:38:32 -131.911490 0.146175 BFGS: 9947 21:38:33 -131.904805 0.314210 BFGS: 9948 21:38:33 -131.906574 0.281194 BFGS: 9949 21:38:34 -131.910463 0.211393 BFGS: 9950 21:38:34 -131.911149 0.171130 BFGS: 9951 21:38:34 -131.905467 0.303238 BFGS: 9952 21:38:35 -131.907066 0.271926 BFGS: 9953 21:38:35 -131.907854 0.385359 BFGS: 9954 21:38:35 -131.911072 0.176249 BFGS: 9955 21:38:36 -131.906864 0.275817 BFGS: 9956 21:38:36 -131.911347 0.157112 BFGS: 9957 21:38:36 -131.911489 0.146191 BFGS: 9958 21:38:37 -131.904810 0.314160 BFGS: 9959 21:38:37 -131.906575 0.281180 BFGS: 9960 21:38:38 -131.910464 0.211336 BFGS: 9961 21:38:38 -131.911149 0.171117 BFGS: 9962 21:38:38 -131.905470 0.303200 BFGS: 9963 21:38:39 -131.907067 0.271920 BFGS: 9964 21:38:39 -131.907857 0.385269 BFGS: 9965 21:38:39 -131.911072 0.176237 BFGS: 9966 21:38:40 -131.906865 0.275808 BFGS: 9967 21:38:40 -131.911347 0.157116 BFGS: 9968 21:38:40 -131.911489 0.146206 BFGS: 9969 21:38:40 -131.904814 0.314116 BFGS: 9970 21:38:41 -131.906577 0.281167 BFGS: 9971 21:38:41 -131.910466 0.211285 BFGS: 9972 21:38:42 -131.911150 0.171106 BFGS: 9973 21:38:42 -131.905473 0.303165 BFGS: 9974 21:38:43 -131.907068 0.271915 BFGS: 9975 21:38:43 -131.907860 0.385186 BFGS: 9976 21:38:43 -131.911072 0.176224 BFGS: 9977 21:38:43 -131.906866 0.275800 BFGS: 9978 21:38:44 -131.911347 0.157119 BFGS: 9979 21:38:44 -131.911489 0.146220 BFGS: 9980 21:38:45 -131.904818 0.314074 BFGS: 9981 21:38:45 -131.906578 0.281155 BFGS: 9982 21:38:45 -131.910467 0.211236 BFGS: 9983 21:38:45 -131.911150 0.171094 BFGS: 9984 21:38:46 -131.905476 0.303133 BFGS: 9985 21:38:46 -131.907068 0.271910 BFGS: 9986 21:38:46 -131.907863 0.385109 BFGS: 9987 21:38:47 -131.911073 0.176213 BFGS: 9988 21:38:47 -131.906867 0.275793 BFGS: 9989 21:38:47 -131.911347 0.157121 BFGS: 9990 21:38:48 -131.911489 0.146232 BFGS: 9991 21:38:48 -131.904822 0.314035 BFGS: 9992 21:38:48 -131.906579 0.281145 BFGS: 9993 21:38:49 -131.910468 0.211191 BFGS: 9994 21:38:49 -131.911150 0.171084 BFGS: 9995 21:38:49 -131.905479 0.303104 BFGS: 9996 21:38:50 -131.907069 0.271907 BFGS: 9997 21:38:50 -131.907866 0.385039 BFGS: 9998 21:38:50 -131.911073 0.176203 BFGS: 9999 21:38:51 -131.906868 0.275787 BFGS: 10000 21:38:51 -131.911346 0.157124 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.12557916950423317 eV/Angstrom Maximum stress component: 0.004702008164520663 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.09908849 0.98019612 0.05391065] [0.90091151 0.48019612 0.44608935] [0.90091151 0.01980388 0.94608935] [0.09908849 0.51980388 0.55391065] [0.17608559 0.72599869 0.96174639] [0.82391441 0.22599869 0.53825361] [0.82391441 0.27400131 0.03825361] [0.17608559 0.77400131 0.46174639] [0.69907605 0.52818171 0.60207302] [0.30092395 0.02818171 0.89792698] [0.30092395 0.47181829 0.39792698] [0.69907605 0.97181829 0.10207302] [0.49910736 0.19346692 0.34515097] [0.50089264 0.69346692 0.15484903] [0.50089264 0.80653308 0.65484903] [0.49910736 0.30653308 0.84515097] [0.03390216 0.72698702 0.88081505] [0.96609784 0.22698702 0.61918495] [0.96609784 0.27301298 0.11918495] [0.03390216 0.77301298 0.38081505] [0.29682469 0.16206215 0.26172566] [0.70317531 0.66206215 0.23827434] [0.70317531 0.83793785 0.73827434] [0.29682469 0.33793785 0.76172566] [0.62752546 0.41668364 0.44947861] [0.37247454 0.91668364 0.05052139] [0.37247454 0.58331636 0.55052139] [0.62752546 0.08331636 0.94947861]] cellpar = Cell([[11.242864320952064, 7.632096201512566e-17, 1.4123468247697324], [1.4886260769983314e-17, 2.922355558700425, 7.835604091986602e-17], [-9.286040085776671, 2.2251743840386408e-17, 4.301669894506694]]) forces = [[-4.29635760e-02 -1.96795582e-02 6.66896294e-04] [ 4.29635760e-02 -1.96795582e-02 -6.66896294e-04] [ 4.29635760e-02 1.96795582e-02 -6.66896294e-04] [-4.29635760e-02 1.96795582e-02 6.66896294e-04] [-2.69848462e-02 1.06913051e-02 4.56793799e-03] [ 2.69848462e-02 1.06913051e-02 -4.56793799e-03] [ 2.69848462e-02 -1.06913051e-02 -4.56793799e-03] [-2.69848462e-02 -1.06913051e-02 4.56793799e-03] [ 2.93652408e-04 2.46824640e-04 1.67657204e-04] [-2.93652408e-04 2.46824640e-04 -1.67657204e-04] [-2.93652408e-04 -2.46824640e-04 -1.67657204e-04] [ 2.93652408e-04 -2.46824640e-04 1.67657204e-04] [-2.62320944e-05 -4.06303352e-04 1.89760964e-05] [ 2.62320944e-05 -4.06303352e-04 -1.89760964e-05] [ 2.62320944e-05 4.06303352e-04 -1.89760964e-05] [-2.62320944e-05 4.06303352e-04 1.89760964e-05] [-4.86407480e-02 8.17600795e-02 3.85997369e-02] [ 4.86407480e-02 8.17600795e-02 -3.85997369e-02] [ 4.86407480e-02 -8.17600795e-02 -3.85997369e-02] [-4.86407480e-02 -8.17600795e-02 3.85997369e-02] [-3.25036552e-02 -5.65230000e-02 -1.25579170e-01] [ 3.25036552e-02 -5.65230000e-02 1.25579170e-01] [ 3.25036552e-02 5.65230000e-02 1.25579170e-01] [-3.25036552e-02 5.65230000e-02 -1.25579170e-01] [ 1.68371403e-04 -1.62231890e-04 -1.00291636e-04] [-1.68371403e-04 -1.62231890e-04 1.00291636e-04] [-1.68371403e-04 1.62231890e-04 1.00291636e-04] [ 1.68371403e-04 1.62231890e-04 -1.00291636e-04]] stress = [ 4.27891781e-03 1.09298007e-04 4.70200816e-03 1.92228136e-20 1.03944541e-03 -2.17221612e-20] energy per atom = -4.649765119096647 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0