element(s): ['C', 'H', 'N'] AFLOW prototype label: AB9C9_aP38_2_i_9i_9i Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.7873', '0.56333572', '1.0784997', '80.1212', '111.4538', '82.4749', '0.060186757', '0.75271246', '0.38907212', '0.383824', '0.15388708', '0.071319069', '0.62230921', '0.60323601', '0.15501901', '0.63067528', '0.44234229', '0.33787966', '0.43628217', '0.57564919', '0.17663087', '0.67754545', '0.87227111', '0.34320651', '0.48457377', '0.88492292', '0.33721166', '0.16940125', '0.68922574', '0.97192822', '0.17357637', '0.43617767', '0.11554702', '0.19388716', '0.21736449', '0.9300051', '0.96037543', '0.59619614', '0.43755568', '0.2253728', '0.74517366', '0.46380895', '0.26008243', '0.93490247', '0.36885047', '0.12131467', '0.053486864', '0.23995112', '0.99388522', '0.94398584', '0.25015123', '0.29182808', '0.30866118', '0.98264514', '0.24315203', '0.51531691', '0.057891567', '0.55650912', '0.87409101', '0.27225064', '0.56202091', '0.60125571', '0.23538819'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] representative atom coordinates = [[0.06018676 0.75271246 0.38907212] [0.383824 0.15388708 0.07131907] [0.62230921 0.60323601 0.15501901] [0.63067528 0.44234229 0.33787966] [0.43628217 0.57564919 0.17663087] [0.67754545 0.87227111 0.34320651] [0.48457377 0.88492292 0.33721166] [0.16940125 0.68922574 0.97192822] [0.17357637 0.43617767 0.11554702] [0.19388716 0.21736449 0.9300051 ] [0.96037543 0.59619614 0.43755568] [0.2253728 0.74517366 0.46380895] [0.26008243 0.93490247 0.36885047] [0.12131467 0.05348686 0.23995112] [0.99388522 0.94398584 0.25015123] [0.29182808 0.30866118 0.98264514] [0.24315203 0.51531691 0.05789157] [0.55650912 0.87409101 0.27225064] [0.56202091 0.60125571 0.23538819]] spacegroup = 2 cell = [[8.7873, 0, 0], [0.64828071416986, 4.9075668264055, 0], [-3.4662575965111, 2.0979460020578, 8.567327778081]] ========================================= Step Time Energy fmax BFGS: 0 15:13:31 -140.176386 16.6799 BFGS: 1 15:13:31 -145.206225 13.3440 BFGS: 2 15:13:32 -147.534577 8.4406 BFGS: 3 15:13:32 -148.361911 6.4103 BFGS: 4 15:13:32 -149.540951 6.6284 BFGS: 5 15:13:33 -150.022563 3.4651 BFGS: 6 15:13:33 -150.311140 4.7993 BFGS: 7 15:13:34 -150.762532 3.1226 BFGS: 8 15:13:34 -150.603110 12.9771 BFGS: 9 15:13:36 -150.844022 5.1792 BFGS: 10 15:13:36 -150.571032 3.8326 BFGS: 11 15:13:37 -150.867570 2.1519 BFGS: 12 15:13:37 -151.029129 4.8360 BFGS: 13 15:13:38 -150.855087 8.3864 BFGS: 14 15:13:38 -151.136915 11.6028 BFGS: 15 15:13:39 -150.896144 3.0540 BFGS: 16 15:13:40 -151.217234 4.1933 BFGS: 17 15:13:41 -151.245536 9.3743 BFGS: 18 15:13:42 -151.365490 5.9462 BFGS: 19 15:13:44 -151.550952 4.3159 BFGS: 20 15:13:45 -150.929589 8.0919 BFGS: 21 15:13:46 -151.384445 9.5775 BFGS: 22 15:13:47 -151.187521 2.7466 BFGS: 23 15:13:48 -151.302458 2.3922 BFGS: 24 15:13:49 -151.504684 8.8226 BFGS: 25 15:13:50 -151.424836 4.3900 BFGS: 26 15:13:51 -151.601720 9.2871 BFGS: 27 15:13:52 -150.619643 11.5721 BFGS: 28 15:13:53 -151.330831 9.2842 BFGS: 29 15:13:53 -151.137474 3.7585 BFGS: 30 15:13:54 -151.316511 2.5779 BFGS: 31 15:13:56 -151.568072 8.0936 BFGS: 32 15:13:57 -150.518593 12.5157 BFGS: 33 15:13:57 -151.310615 8.8504 BFGS: 34 15:13:59 -150.899521 5.2843 BFGS: 35 15:14:00 -151.279275 2.9399 BFGS: 36 15:14:00 -151.541642 7.4882 BFGS: 37 15:14:01 -149.951665 14.2139 BFGS: 38 15:14:02 -151.242747 4.3678 BFGS: 39 15:14:03 -151.434327 7.3875 BFGS: 40 15:14:04 -150.428423 13.7556 BFGS: 41 15:14:04 -151.455972 9.9607 BFGS: 42 15:14:05 -151.078137 7.1760 BFGS: 43 15:14:06 -151.429162 3.5844 BFGS: 44 15:14:08 -151.471125 10.3644 BFGS: 45 15:14:08 -151.562036 7.1660 BFGS: 46 15:14:09 -151.664938 3.1308 BFGS: 47 15:14:10 -151.673294 5.7287 BFGS: 48 15:14:11 -151.709296 2.7838 BFGS: 49 15:14:12 -151.746877 2.9789 BFGS: 50 15:14:13 -151.764915 1.9821 BFGS: 51 15:14:14 -151.776813 1.9446 BFGS: 52 15:14:14 -151.785524 2.0223 BFGS: 53 15:14:15 -151.802311 1.9369 BFGS: 54 15:14:16 -151.821396 2.1822 BFGS: 55 15:14:17 -151.845728 2.1680 BFGS: 56 15:14:17 -151.874418 0.9599 BFGS: 57 15:14:18 -151.890330 1.4189 BFGS: 58 15:14:19 -151.899887 1.7597 BFGS: 59 15:14:20 -151.914923 1.8573 BFGS: 60 15:14:21 -151.919937 1.9033 BFGS: 61 15:14:22 -151.933734 1.8753 BFGS: 62 15:14:24 -151.945050 1.9763 BFGS: 63 15:14:24 -151.965943 2.0187 BFGS: 64 15:14:25 -151.985957 2.3456 BFGS: 65 15:14:26 -152.006562 2.4790 BFGS: 66 15:14:26 -152.027981 2.8552 BFGS: 67 15:14:27 -152.053606 2.4654 BFGS: 68 15:14:28 -152.082399 2.6848 BFGS: 69 15:14:29 -152.104492 2.0858 BFGS: 70 15:14:30 -152.129369 2.4904 BFGS: 71 15:14:31 -152.145153 1.7200 BFGS: 72 15:14:32 -152.165273 1.6835 BFGS: 73 15:14:33 -152.187406 1.6611 BFGS: 74 15:14:34 -152.210361 1.5178 BFGS: 75 15:14:34 -152.234198 1.4068 BFGS: 76 15:14:35 -152.265911 0.9893 BFGS: 77 15:14:36 -152.284600 1.1348 BFGS: 78 15:14:37 -152.311861 1.1354 BFGS: 79 15:14:37 -152.335453 1.3049 BFGS: 80 15:14:38 -152.356456 1.2078 BFGS: 81 15:14:39 -152.377647 1.0156 BFGS: 82 15:14:39 -152.388825 0.7668 BFGS: 83 15:14:40 -152.397401 0.5154 BFGS: 84 15:14:41 -152.403381 1.9483 BFGS: 85 15:14:42 -152.412184 1.1448 BFGS: 86 15:14:42 -152.420319 0.8642 BFGS: 87 15:14:44 -152.429823 1.7760 BFGS: 88 15:14:44 -152.438721 1.2216 BFGS: 89 15:14:46 -152.450365 0.6073 BFGS: 90 15:14:46 -152.462077 0.4454 BFGS: 91 15:14:47 -152.476073 0.5655 BFGS: 92 15:14:48 -152.487590 0.4359 BFGS: 93 15:14:49 -152.498637 0.9560 BFGS: 94 15:14:50 -152.505041 0.6302 BFGS: 95 15:14:51 -152.513952 0.8550 BFGS: 96 15:14:52 -152.521175 0.8081 BFGS: 97 15:14:53 -152.527722 4.0063 BFGS: 98 15:14:54 -152.536088 2.0467 BFGS: 99 15:14:55 -152.543601 0.6476 BFGS: 100 15:14:56 -152.552374 0.8140 BFGS: 101 15:14:57 -152.562176 1.5223 BFGS: 102 15:14:58 -152.570312 1.3680 BFGS: 103 15:14:59 -152.584219 0.4337 BFGS: 104 15:14:59 -152.595405 0.3767 BFGS: 105 15:15:00 -152.605194 0.6414 BFGS: 106 15:15:00 -152.614669 0.6484 BFGS: 107 15:15:01 -152.624187 0.6021 BFGS: 108 15:15:02 -152.632302 0.6531 BFGS: 109 15:15:04 -152.639963 0.6831 BFGS: 110 15:15:05 -152.648116 0.6968 BFGS: 111 15:15:07 -152.656677 0.6960 BFGS: 112 15:15:10 -152.666944 0.7410 BFGS: 113 15:15:11 -152.676716 1.6170 BFGS: 114 15:15:13 -152.688051 1.8085 BFGS: 115 15:15:15 -152.699600 2.2393 BFGS: 116 15:15:16 -152.706351 2.1381 BFGS: 117 15:15:17 -152.715520 1.9867 BFGS: 118 15:15:20 -152.725327 1.6357 BFGS: 119 15:15:21 -152.734029 1.5853 BFGS: 120 15:15:22 -152.741387 0.9860 BFGS: 121 15:15:23 -152.746795 0.9277 BFGS: 122 15:15:23 -152.753604 0.8742 BFGS: 123 15:15:25 -152.757727 0.6413 BFGS: 124 15:15:27 -152.769269 0.6449 BFGS: 125 15:15:28 -152.777863 0.9483 BFGS: 126 15:15:29 -152.786127 1.0330 BFGS: 127 15:15:30 -152.793963 1.1072 BFGS: 128 15:15:31 -152.800725 1.0298 BFGS: 129 15:15:32 -152.810594 1.1851 BFGS: 130 15:15:34 -152.818189 1.0433 BFGS: 131 15:15:35 -152.825714 0.9888 BFGS: 132 15:15:36 -152.832526 1.0445 BFGS: 133 15:15:37 -152.838060 0.9373 BFGS: 134 15:15:37 -152.844395 1.0255 BFGS: 135 15:15:38 -152.849756 0.9050 BFGS: 136 15:15:39 -152.855668 0.9291 BFGS: 137 15:15:40 -152.864764 0.7999 BFGS: 138 15:15:40 -152.872291 0.9052 BFGS: 139 15:15:41 -152.878832 0.7845 BFGS: 140 15:15:41 -152.883691 0.7330 BFGS: 141 15:15:42 -152.891226 0.6571 BFGS: 142 15:15:43 -152.897332 0.6381 BFGS: 143 15:15:43 -152.903654 0.6551 BFGS: 144 15:15:44 -152.910195 0.6773 BFGS: 145 15:15:44 -152.917692 0.6930 BFGS: 146 15:15:44 -152.925285 0.6981 BFGS: 147 15:15:44 -152.932526 0.7016 BFGS: 148 15:15:44 -152.939544 0.6980 BFGS: 149 15:15:44 -152.947198 0.6784 BFGS: 150 15:15:45 -152.956212 0.6545 BFGS: 151 15:15:46 -152.965075 0.6178 BFGS: 152 15:15:47 -152.971443 0.5740 BFGS: 153 15:15:48 -152.983154 0.3783 BFGS: 154 15:15:49 -152.992961 0.6171 BFGS: 155 15:15:50 -153.007307 0.3523 BFGS: 156 15:15:51 -153.013081 0.8239 BFGS: 157 15:15:52 -153.023160 0.8800 BFGS: 158 15:15:52 -153.031832 0.9497 BFGS: 159 15:15:53 -153.036921 0.7818 BFGS: 160 15:15:54 -153.045209 0.7703 BFGS: 161 15:15:55 -153.059987 0.7073 BFGS: 162 15:15:55 -153.065829 0.9161 BFGS: 163 15:15:56 -153.075118 1.3206 BFGS: 164 15:15:56 -153.086088 1.1783 BFGS: 165 15:15:57 -153.090767 0.7834 BFGS: 166 15:15:59 -153.095482 1.0702 BFGS: 167 15:16:00 -153.094966 1.0562 BFGS: 168 15:16:01 -153.098822 1.1543 BFGS: 169 15:16:02 -153.102408 1.1810 BFGS: 170 15:16:03 -153.105217 0.9729 BFGS: 171 15:16:04 -153.111394 1.2208 BFGS: 172 15:16:05 -153.114426 0.6575 BFGS: 173 15:16:06 -153.119797 0.8373 BFGS: 174 15:16:07 -153.129082 0.7765 BFGS: 175 15:16:08 -153.135568 0.6765 BFGS: 176 15:16:09 -153.142756 0.7875 BFGS: 177 15:16:10 -153.142835 0.5646 BFGS: 178 15:16:11 -153.147263 0.4771 BFGS: 179 15:16:12 -153.151888 0.4385 BFGS: 180 15:16:12 -153.159145 0.5417 BFGS: 181 15:16:13 -153.159277 1.4094 BFGS: 182 15:16:14 -153.165252 0.2813 BFGS: 183 15:16:15 -153.165720 0.5390 BFGS: 184 15:16:16 -153.170688 0.8769 BFGS: 185 15:16:16 -153.172855 0.4316 BFGS: 186 15:16:17 -153.171738 0.2763 BFGS: 187 15:16:18 -153.174126 0.4689 BFGS: 188 15:16:19 -153.178685 0.6233 BFGS: 189 15:16:19 -153.180261 0.5343 BFGS: 190 15:16:20 -153.182849 0.5486 BFGS: 191 15:16:21 -153.184490 0.3829 BFGS: 192 15:16:22 -153.184760 0.3173 BFGS: 193 15:16:23 -153.187146 0.2001 BFGS: 194 15:16:24 -153.191540 0.4993 BFGS: 195 15:16:24 -153.194646 0.6135 BFGS: 196 15:16:26 -153.197700 0.6950 BFGS: 197 15:16:26 -153.199951 0.7017 BFGS: 198 15:16:27 -153.206153 0.6111 BFGS: 199 15:16:28 -153.210578 1.5790 BFGS: 200 15:16:29 -153.215646 1.2817 BFGS: 201 15:16:30 -153.221895 0.5493 BFGS: 202 15:16:31 -153.218084 0.2842 BFGS: 203 15:16:32 -153.219971 0.3090 BFGS: 204 15:16:34 -153.225428 0.2224 BFGS: 205 15:16:35 -153.225441 1.2886 BFGS: 206 15:16:35 -153.230604 0.6772 BFGS: 207 15:16:37 -153.232325 0.5447 BFGS: 208 15:16:37 -153.236105 0.5773 BFGS: 209 15:16:38 -153.234447 0.0968 BFGS: 210 15:16:40 -153.236161 0.1298 BFGS: 211 15:16:41 -153.238371 0.4036 BFGS: 212 15:16:42 -153.242690 0.1723 BFGS: 213 15:16:43 -153.239957 0.3499 BFGS: 214 15:16:44 -153.244885 0.8280 BFGS: 215 15:16:45 -153.247898 1.1708 BFGS: 216 15:16:45 -153.253203 1.4514 BFGS: 217 15:16:46 -153.257381 1.5960 BFGS: 218 15:16:48 -153.262293 1.5979 BFGS: 219 15:16:48 -153.267539 1.5418 BFGS: 220 15:16:49 -153.270118 1.4077 BFGS: 221 15:16:49 -153.277396 1.4242 BFGS: 222 15:16:50 -153.286309 0.9432 BFGS: 223 15:16:51 -153.291978 1.0513 BFGS: 224 15:16:52 -153.297584 0.5967 BFGS: 225 15:16:53 -153.303008 0.6245 BFGS: 226 15:16:54 -153.308291 0.4662 BFGS: 227 15:16:55 -153.312048 0.4678 BFGS: 228 15:16:56 -153.315976 0.4405 BFGS: 229 15:16:57 -153.319599 0.4363 BFGS: 230 15:16:58 -153.323608 0.4254 BFGS: 231 15:16:59 -153.330128 0.4188 BFGS: 232 15:16:59 -153.334794 0.4011 BFGS: 233 15:17:00 -153.335341 0.4037 BFGS: 234 15:17:01 -153.338332 0.3843 BFGS: 235 15:17:02 -153.341782 0.4035 BFGS: 236 15:17:03 -153.345047 0.3946 BFGS: 237 15:17:04 -153.348249 0.4455 BFGS: 238 15:17:05 -153.354009 0.4358 BFGS: 239 15:17:06 -153.356985 0.4088 BFGS: 240 15:17:06 -153.361866 0.4409 BFGS: 241 15:17:07 -153.365358 0.4358 BFGS: 242 15:17:08 -153.369071 0.4402 BFGS: 243 15:17:09 -153.373214 0.4472 BFGS: 244 15:17:09 -153.377076 0.4479 BFGS: 245 15:17:10 -153.383767 0.3731 BFGS: 246 15:17:11 -153.388165 0.4584 BFGS: 247 15:17:12 -153.391104 0.5470 BFGS: 248 15:17:13 -153.393911 0.5740 BFGS: 249 15:17:13 -153.402285 0.5555 BFGS: 250 15:17:13 -153.408762 0.5456 BFGS: 251 15:17:14 -153.411326 0.6311 BFGS: 252 15:17:15 -153.419306 0.5602 BFGS: 253 15:17:16 -153.424633 0.5943 BFGS: 254 15:17:18 -153.427096 0.6268 BFGS: 255 15:17:18 -153.434243 0.5883 BFGS: 256 15:17:19 -153.440720 0.5806 BFGS: 257 15:17:20 -153.446803 0.5751 BFGS: 258 15:17:20 -153.450937 0.6325 BFGS: 259 15:17:21 -153.458829 0.5722 BFGS: 260 15:17:22 -153.464465 0.5901 BFGS: 261 15:17:23 -153.469945 0.5654 BFGS: 262 15:17:23 -153.476693 0.5919 BFGS: 263 15:17:24 -153.481396 0.6285 BFGS: 264 15:17:24 -153.489348 0.4769 BFGS: 265 15:17:25 -153.492170 0.6045 BFGS: 266 15:17:26 -153.498099 0.5535 BFGS: 267 15:17:26 -153.503738 0.5523 BFGS: 268 15:17:27 -153.508973 0.5429 BFGS: 269 15:17:29 -153.514820 0.4455 BFGS: 270 15:17:30 -153.519255 0.5334 BFGS: 271 15:17:31 -153.524781 0.4722 BFGS: 272 15:17:32 -153.529585 0.4846 BFGS: 273 15:17:33 -153.535162 0.4424 BFGS: 274 15:17:34 -153.541383 0.4255 BFGS: 275 15:17:35 -153.548062 0.3757 BFGS: 276 15:17:35 -153.554986 0.3443 BFGS: 277 15:17:36 -153.562442 0.2760 BFGS: 278 15:17:37 -153.569110 0.3093 BFGS: 279 15:17:37 -153.579918 0.1970 BFGS: 280 15:17:38 -153.591645 0.4505 BFGS: 281 15:17:40 -153.602649 0.3211 BFGS: 282 15:17:41 -153.605160 0.4624 BFGS: 283 15:17:41 -153.620615 0.6605 BFGS: 284 15:17:42 -153.624170 0.3348 BFGS: 285 15:17:44 -153.628980 0.3101 BFGS: 286 15:17:44 -153.630544 0.2890 BFGS: 287 15:17:44 -153.631299 0.3999 BFGS: 288 15:17:46 -153.634099 0.3350 BFGS: 289 15:17:46 -153.638174 0.2960 BFGS: 290 15:17:47 -153.640668 0.3486 BFGS: 291 15:17:49 -153.639301 0.4223 BFGS: 292 15:17:50 -153.643217 0.3884 BFGS: 293 15:17:52 -153.650601 0.5188 BFGS: 294 15:17:53 -153.651496 0.4270 BFGS: 295 15:17:54 -153.657846 0.2457 BFGS: 296 15:17:55 -153.668005 0.3181 BFGS: 297 15:17:56 -153.668572 0.3291 BFGS: 298 15:17:56 -153.673486 0.3130 BFGS: 299 15:17:57 -153.674162 0.5175 BFGS: 300 15:17:58 -153.677099 0.3818 BFGS: 301 15:17:59 -153.683574 0.4865 BFGS: 302 15:18:00 -153.682280 0.6261 BFGS: 303 15:18:01 -153.683058 0.4960 BFGS: 304 15:18:01 -153.692125 0.2865 BFGS: 305 15:18:02 -153.690322 0.4029 BFGS: 306 15:18:03 -153.690196 0.5717 BFGS: 307 15:18:04 -153.689089 0.4598 BFGS: 308 15:18:04 -153.692667 0.2680 BFGS: 309 15:18:05 -153.698941 0.3134 BFGS: 310 15:18:06 -153.697336 0.3802 BFGS: 311 15:18:06 -153.706674 0.3628 BFGS: 312 15:18:07 -153.709202 0.2886 BFGS: 313 15:18:07 -153.707801 0.1685 BFGS: 314 15:18:08 -153.705782 0.2046 BFGS: 315 15:18:08 -153.710660 0.2124 BFGS: 316 15:18:09 -153.710065 0.2646 BFGS: 317 15:18:10 -153.711171 0.2666 BFGS: 318 15:18:11 -153.712483 0.2629 BFGS: 319 15:18:12 -153.714487 0.3312 BFGS: 320 15:18:12 -153.714319 0.2990 BFGS: 321 15:18:14 -153.714832 0.2700 BFGS: 322 15:18:15 -153.716694 0.1955 BFGS: 323 15:18:16 -153.717121 0.1918 BFGS: 324 15:18:17 -153.716981 0.2070 BFGS: 325 15:18:18 -153.717380 0.1831 BFGS: 326 15:18:18 -153.716939 0.1354 BFGS: 327 15:18:19 -153.717393 0.1237 BFGS: 328 15:18:20 -153.718494 0.1701 BFGS: 329 15:18:20 -153.719018 0.2126 BFGS: 330 15:18:21 -153.719342 0.2500 BFGS: 331 15:18:21 -153.720147 0.2218 BFGS: 332 15:18:22 -153.716117 0.2103 BFGS: 333 15:18:23 -153.721996 0.2572 BFGS: 334 15:18:24 -153.722779 0.2681 BFGS: 335 15:18:25 -153.724126 0.2163 BFGS: 336 15:18:26 -153.725156 0.1404 BFGS: 337 15:18:27 -153.727581 0.1285 BFGS: 338 15:18:27 -153.724910 0.1131 BFGS: 339 15:18:28 -153.725259 0.0920 BFGS: 340 15:18:28 -153.728615 0.1814 BFGS: 341 15:18:29 -153.725838 0.0981 BFGS: 342 15:18:30 -153.726049 0.1838 BFGS: 343 15:18:31 -153.726782 0.2911 BFGS: 344 15:18:32 -153.727114 0.3011 BFGS: 345 15:18:33 -153.721769 0.2180 BFGS: 346 15:18:34 -153.721266 0.1851 BFGS: 347 15:18:35 -153.726961 0.4132 BFGS: 348 15:18:36 -153.726636 0.2796 BFGS: 349 15:18:38 -153.727106 0.2514 BFGS: 350 15:18:39 -153.724863 0.2367 BFGS: 351 15:18:40 -153.726027 0.1622 BFGS: 352 15:18:40 -153.729648 0.2153 BFGS: 353 15:18:41 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0.0596 BFGS: 1063 15:28:51 -153.769109 0.1209 BFGS: 1064 15:28:51 -153.772504 0.0521 BFGS: 1065 15:28:52 -153.772023 0.1087 BFGS: 1066 15:28:53 -153.775701 0.0600 BFGS: 1067 15:28:54 -153.769008 0.1347 BFGS: 1068 15:28:55 -153.772478 0.0525 BFGS: 1069 15:28:56 -153.771999 0.1031 BFGS: 1070 15:28:57 -153.775460 0.0596 BFGS: 1071 15:28:58 -153.769099 0.1224 BFGS: 1072 15:28:59 -153.772503 0.0521 BFGS: 1073 15:29:01 -153.772015 0.1102 BFGS: 1074 15:29:02 -153.775700 0.0599 BFGS: 1075 15:29:03 -153.769005 0.1354 BFGS: 1076 15:29:05 -153.772477 0.0525 BFGS: 1077 15:29:05 -153.771989 0.1043 BFGS: 1078 15:29:07 -153.775459 0.0595 BFGS: 1079 15:29:08 -153.769089 0.1233 BFGS: 1080 15:29:08 -153.772501 0.0520 BFGS: 1081 15:29:08 -153.772008 0.1112 BFGS: 1082 15:29:08 -153.776029 0.0599 BFGS: 1083 15:29:08 -153.769089 0.1327 BFGS: 1084 15:29:09 -153.772476 0.0524 BFGS: 1085 15:29:09 -153.772009 0.1032 BFGS: 1086 15:29:10 -153.775463 0.0594 BFGS: 1087 15:29:11 -153.769084 0.1221 BFGS: 1088 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0.1113 BFGS: 1114 15:29:32 -153.775708 0.0596 BFGS: 1115 15:29:33 -153.769019 0.1340 BFGS: 1116 15:29:34 -153.772474 0.0522 BFGS: 1117 15:29:35 -153.771982 0.1062 BFGS: 1118 15:29:36 -153.775459 0.0592 BFGS: 1119 15:29:37 -153.769050 0.1259 BFGS: 1120 15:29:38 -153.772490 0.0518 BFGS: 1121 15:29:40 -153.772025 0.1123 BFGS: 1122 15:29:40 -153.775707 0.0595 BFGS: 1123 15:29:41 -153.769093 0.1351 BFGS: 1124 15:29:42 -153.772473 0.0521 BFGS: 1125 15:29:42 -153.771982 0.1048 BFGS: 1126 15:29:43 -153.775460 0.0591 BFGS: 1127 15:29:45 -153.769120 0.1272 BFGS: 1128 15:29:45 -153.772487 0.0518 BFGS: 1129 15:29:46 -153.772026 0.1107 BFGS: 1130 15:29:47 -153.776039 0.0594 BFGS: 1131 15:29:49 -153.769163 0.1335 BFGS: 1132 15:29:49 -153.772468 0.0521 BFGS: 1133 15:29:50 -153.772011 0.1032 BFGS: 1134 15:29:51 -153.775467 0.0590 BFGS: 1135 15:29:51 -153.769120 0.1256 BFGS: 1136 15:29:52 -153.772484 0.0517 BFGS: 1137 15:29:53 -153.772045 0.1101 BFGS: 1138 15:29:53 -153.775440 0.0593 BFGS: 1139 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0.0516 BFGS: 1165 15:30:19 -153.772081 0.1098 BFGS: 1166 15:30:20 -153.775450 0.0589 BFGS: 1167 15:30:21 -153.769068 0.1338 BFGS: 1168 15:30:22 -153.772478 0.0516 BFGS: 1169 15:30:22 -153.772066 0.1109 BFGS: 1170 15:30:23 -153.775721 0.0589 BFGS: 1171 15:30:24 -153.769078 0.1351 BFGS: 1172 15:30:25 -153.772462 0.0518 BFGS: 1173 15:30:26 -153.772125 0.1080 BFGS: 1174 15:30:26 -153.775463 0.0587 BFGS: 1175 15:30:26 -153.769076 0.1329 BFGS: 1176 15:30:26 -153.772475 0.0515 BFGS: 1177 15:30:27 -153.772061 0.1117 BFGS: 1178 15:30:27 -153.775722 0.0589 BFGS: 1179 15:30:28 -153.769073 0.1358 BFGS: 1180 15:30:28 -153.772461 0.0518 BFGS: 1181 15:30:29 -153.772122 0.1086 BFGS: 1182 15:30:30 -153.775464 0.0586 BFGS: 1183 15:30:30 -153.769071 0.1334 BFGS: 1184 15:30:31 -153.772473 0.0514 BFGS: 1185 15:30:32 -153.772058 0.1122 BFGS: 1186 15:30:33 -153.776052 0.0588 BFGS: 1187 15:30:33 -153.769159 0.1329 BFGS: 1188 15:30:34 -153.772460 0.0517 BFGS: 1189 15:30:35 -153.772147 0.1070 BFGS: 1190 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0.1371 BFGS: 1216 15:30:58 -153.772457 0.0514 BFGS: 1217 15:30:58 -153.772114 0.1105 BFGS: 1218 15:30:59 -153.775467 0.0584 BFGS: 1219 15:31:00 -153.769053 0.1355 BFGS: 1220 15:31:01 -153.772468 0.0510 BFGS: 1221 15:31:04 -153.772055 0.1139 BFGS: 1222 15:31:04 -153.775727 0.0586 BFGS: 1223 15:31:06 -153.769064 0.1375 BFGS: 1224 15:31:07 -153.772456 0.0513 BFGS: 1225 15:31:07 -153.772111 0.1109 BFGS: 1226 15:31:08 -153.775468 0.0583 BFGS: 1227 15:31:09 -153.769050 0.1360 BFGS: 1228 15:31:10 -153.772467 0.0509 BFGS: 1229 15:31:10 -153.772053 0.1143 BFGS: 1230 15:31:11 -153.776059 0.0585 BFGS: 1231 15:31:12 -153.769152 0.1344 BFGS: 1232 15:31:13 -153.772456 0.0512 BFGS: 1233 15:31:14 -153.772138 0.1091 BFGS: 1234 15:31:14 -153.775473 0.0583 BFGS: 1235 15:31:15 -153.769052 0.1345 BFGS: 1236 15:31:15 -153.772465 0.0508 BFGS: 1237 15:31:17 -153.772077 0.1132 BFGS: 1238 15:31:18 -153.775460 0.0584 BFGS: 1239 15:31:18 -153.769035 0.1375 BFGS: 1240 15:31:19 -153.772465 0.0507 BFGS: 1241 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0.0569 BFGS: 1267 15:31:39 -153.769067 0.1512 BFGS: 1268 15:31:39 -153.772465 0.0494 BFGS: 1269 15:31:40 -153.772931 0.1104 BFGS: 1270 15:31:40 -153.775475 0.0571 BFGS: 1271 15:31:42 -153.769049 0.1527 BFGS: 1272 15:31:43 -153.772464 0.0488 BFGS: 1273 15:31:43 -153.772921 0.1116 BFGS: 1274 15:31:44 -153.775477 0.0570 BFGS: 1275 15:31:45 -153.769049 0.1521 BFGS: 1276 15:31:45 -153.772463 0.0482 BFGS: 1277 15:31:47 -153.772906 0.1128 BFGS: 1278 15:31:48 -153.775484 0.0568 BFGS: 1279 15:31:49 -153.769053 0.1515 BFGS: 1280 15:31:50 -153.771613 0.0822 BFGS: 1281 15:31:51 -153.775870 0.0647 BFGS: 1282 15:31:51 -153.772667 0.0884 BFGS: 1283 15:31:52 -153.772791 0.0892 BFGS: 1284 15:31:53 -153.771368 0.2786 BFGS: 1285 15:31:54 -153.775317 0.0620 BFGS: 1286 15:31:55 -153.768427 0.2987 BFGS: 1287 15:31:56 -153.771643 0.0904 BFGS: 1288 15:31:56 -153.775128 0.0685 BFGS: 1289 15:31:57 -153.772726 0.0919 BFGS: 1290 15:31:58 -153.772865 0.0937 BFGS: 1291 15:31:59 -153.772565 0.1840 BFGS: 1292 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0.0607 BFGS: 1318 15:32:26 -153.769619 0.2489 BFGS: 1319 15:32:27 -153.772020 0.0795 BFGS: 1320 15:32:28 -153.773156 0.0839 BFGS: 1321 15:32:29 -153.772055 0.0883 BFGS: 1322 15:32:30 -153.774835 0.0583 BFGS: 1323 15:32:31 -153.772130 0.0910 BFGS: 1324 15:32:31 -153.775307 0.0525 BFGS: 1325 15:32:32 -153.772150 0.0908 BFGS: 1326 15:32:33 -153.775333 0.0495 BFGS: 1327 15:32:33 -153.775342 0.0464 BFGS: 1328 15:32:34 -153.773741 0.0528 BFGS: 1329 15:32:35 -153.772960 0.0754 BFGS: 1330 15:32:35 -153.772162 0.0816 BFGS: 1331 15:32:36 -153.774913 0.0603 BFGS: 1332 15:32:36 -153.775063 0.0507 BFGS: 1333 15:32:37 -153.772803 0.1705 BFGS: 1334 15:32:38 -153.773524 0.0659 BFGS: 1335 15:32:38 -153.772491 0.1015 BFGS: 1336 15:32:39 -153.774766 0.0616 BFGS: 1337 15:32:39 -153.772954 0.2000 BFGS: 1338 15:32:40 -153.773528 0.0610 BFGS: 1339 15:32:41 -153.772494 0.1014 BFGS: 1340 15:32:42 -153.774762 0.0611 BFGS: 1341 15:32:42 -153.772955 0.1754 BFGS: 1342 15:32:43 -153.773532 0.0583 BFGS: 1343 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0.1539 BFGS: 1573 15:35:55 -153.772032 0.0821 BFGS: 1574 15:35:56 -153.772806 0.0969 BFGS: 1575 15:35:57 -153.772975 0.1110 BFGS: 1576 15:35:58 -153.775034 0.0591 BFGS: 1577 15:35:59 -153.770101 0.1583 BFGS: 1578 15:35:59 -153.772569 0.0515 BFGS: 1579 15:36:00 -153.772770 0.1214 BFGS: 1580 15:36:01 -153.775517 0.0605 BFGS: 1581 15:36:03 -153.769988 0.1585 BFGS: 1582 15:36:04 -153.772895 0.0517 BFGS: 1583 15:36:05 -153.772779 0.1197 BFGS: 1584 15:36:06 -153.775527 0.0598 BFGS: 1585 15:36:07 -153.770006 0.1537 BFGS: 1586 15:36:07 -153.772887 0.0514 BFGS: 1587 15:36:08 -153.772769 0.1193 BFGS: 1588 15:36:09 -153.775527 0.0595 BFGS: 1589 15:36:09 -153.769975 0.1527 BFGS: 1590 15:36:09 -153.772884 0.0512 BFGS: 1591 15:36:11 -153.772746 0.1196 BFGS: 1592 15:36:12 -153.775524 0.0592 BFGS: 1593 15:36:13 -153.769945 0.1530 BFGS: 1594 15:36:14 -153.772881 0.0513 BFGS: 1595 15:36:15 -153.772721 0.1200 BFGS: 1596 15:36:16 -153.775523 0.0590 BFGS: 1597 15:36:17 -153.769911 0.1541 BFGS: 1598 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15:37:00 -153.775578 0.0619 BFGS: 1650 15:37:00 -153.771918 0.1001 BFGS: 1651 15:37:01 -153.772016 0.1035 BFGS: 1652 15:37:03 -153.772570 0.1685 BFGS: 1653 15:37:05 -153.774713 0.0636 BFGS: 1654 15:37:06 -153.770309 0.1766 BFGS: 1655 15:37:08 -153.772550 0.0543 BFGS: 1656 15:37:09 -153.772864 0.1285 BFGS: 1657 15:37:10 -153.775622 0.0613 BFGS: 1658 15:37:11 -153.770141 0.1714 BFGS: 1659 15:37:12 -153.772496 0.0536 BFGS: 1660 15:37:12 -153.772867 0.1295 BFGS: 1661 15:37:13 -153.775639 0.0597 BFGS: 1662 15:37:14 -153.770050 0.1664 BFGS: 1663 15:37:15 -153.772481 0.0533 BFGS: 1664 15:37:16 -153.772831 0.1302 BFGS: 1665 15:37:17 -153.775633 0.0591 BFGS: 1666 15:37:18 -153.770044 0.1590 BFGS: 1667 15:37:18 -153.772843 0.0532 BFGS: 1668 15:37:19 -153.772804 0.1306 BFGS: 1669 15:37:20 -153.775624 0.0589 BFGS: 1670 15:37:21 -153.770031 0.1555 BFGS: 1671 15:37:22 -153.772848 0.0533 BFGS: 1672 15:37:23 -153.772757 0.1311 BFGS: 1673 15:37:24 -153.775612 0.0589 BFGS: 1674 15:37:25 -153.770011 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0.2102 BFGS: 1879 15:40:10 -153.776577 0.0740 BFGS: 1880 15:40:11 -153.769864 0.0965 BFGS: 1881 15:40:12 -153.771727 0.0783 BFGS: 1882 15:40:12 -153.773839 0.2096 BFGS: 1883 15:40:13 -153.776571 0.0741 BFGS: 1884 15:40:15 -153.769859 0.0969 BFGS: 1885 15:40:16 -153.771728 0.0783 BFGS: 1886 15:40:17 -153.773841 0.2085 BFGS: 1887 15:40:18 -153.776571 0.0741 BFGS: 1888 15:40:18 -153.769861 0.0971 BFGS: 1889 15:40:19 -153.772084 0.0783 BFGS: 1890 15:40:20 -153.773995 0.1981 BFGS: 1891 15:40:20 -153.776592 0.0735 BFGS: 1892 15:40:21 -153.769888 0.0960 BFGS: 1893 15:40:22 -153.771730 0.0781 BFGS: 1894 15:40:22 -153.773842 0.2092 BFGS: 1895 15:40:23 -153.776572 0.0741 BFGS: 1896 15:40:23 -153.769867 0.0972 BFGS: 1897 15:40:24 -153.772086 0.0782 BFGS: 1898 15:40:25 -153.774007 0.1972 BFGS: 1899 15:40:25 -153.776594 0.0732 BFGS: 1900 15:40:27 -153.769896 0.0961 BFGS: 1901 15:40:28 -153.771259 0.0780 BFGS: 1902 15:40:29 -153.774178 0.2183 BFGS: 1903 15:40:29 -153.775769 0.0607 BFGS: 1904 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0.1013 BFGS: 4990 16:21:16 -153.770916 0.0911 BFGS: 4991 16:21:17 -153.774227 0.2812 BFGS: 4992 16:21:18 -153.776669 0.0812 BFGS: 4993 16:21:19 -153.770135 0.0961 BFGS: 4994 16:21:19 -153.771294 0.0914 BFGS: 4995 16:21:20 -153.773739 0.2671 BFGS: 4996 16:21:20 -153.776668 0.0808 BFGS: 4997 16:21:21 -153.770097 0.0978 BFGS: 4998 16:21:22 -153.771286 0.0913 BFGS: 4999 16:21:23 -153.774022 0.2653 BFGS: 5000 16:21:24 -153.776676 0.0788 BFGS: 5001 16:21:25 -153.770147 0.0959 BFGS: 5002 16:21:26 -153.771297 0.0912 BFGS: 5003 16:21:27 -153.774021 0.2653 BFGS: 5004 16:21:28 -153.776670 0.0801 BFGS: 5005 16:21:30 -153.770128 0.0963 BFGS: 5006 16:21:31 -153.771293 0.0910 BFGS: 5007 16:21:32 -153.774028 0.2644 BFGS: 5008 16:21:32 -153.776673 0.0786 BFGS: 5009 16:21:33 -153.770146 0.0956 BFGS: 5010 16:21:34 -153.771298 0.0909 BFGS: 5011 16:21:34 -153.773756 0.2639 BFGS: 5012 16:21:35 -153.776669 0.0797 BFGS: 5013 16:21:36 -153.770109 0.0969 BFGS: 5014 16:21:37 -153.771290 0.0907 BFGS: 5015 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0.0788 BFGS: 5041 16:21:58 -153.770158 0.0949 BFGS: 5042 16:21:59 -153.771302 0.0902 BFGS: 5043 16:21:59 -153.774066 0.2568 BFGS: 5044 16:22:00 -153.776674 0.0797 BFGS: 5045 16:22:01 -153.770144 0.0952 BFGS: 5046 16:22:01 -153.771299 0.0900 BFGS: 5047 16:22:02 -153.773797 0.2562 BFGS: 5048 16:22:03 -153.776673 0.0792 BFGS: 5049 16:22:04 -153.770127 0.0959 BFGS: 5050 16:22:04 -153.770941 0.0898 BFGS: 5051 16:22:05 -153.774264 0.2685 BFGS: 5052 16:22:06 -153.776661 0.0817 BFGS: 5053 16:22:07 -153.770126 0.0953 BFGS: 5054 16:22:08 -153.771297 0.0899 BFGS: 5055 16:22:08 -153.774413 0.2524 BFGS: 5056 16:22:09 -153.775832 0.0554 BFGS: 5057 16:22:09 -153.770730 0.0788 BFGS: 5058 16:22:11 -153.771934 0.0904 BFGS: 5059 16:22:12 -153.773973 0.2401 BFGS: 5060 16:22:13 -153.776590 0.0896 BFGS: 5061 16:22:14 -153.769981 0.1000 BFGS: 5062 16:22:15 -153.770925 0.0896 BFGS: 5063 16:22:15 -153.774312 0.2652 BFGS: 5064 16:22:16 -153.776675 0.0805 BFGS: 5065 16:22:16 -153.770163 0.0943 BFGS: 5066 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0.0882 BFGS: 5143 16:23:12 -153.773882 0.2418 BFGS: 5144 16:23:12 -153.776681 0.0794 BFGS: 5145 16:23:13 -153.770156 0.0938 BFGS: 5146 16:23:14 -153.771307 0.0881 BFGS: 5147 16:23:15 -153.774159 0.2411 BFGS: 5148 16:23:15 -153.776683 0.0785 BFGS: 5149 16:23:16 -153.770192 0.0924 BFGS: 5150 16:23:17 -153.771314 0.0880 BFGS: 5151 16:23:17 -153.774158 0.2415 BFGS: 5152 16:23:18 -153.776680 0.0794 BFGS: 5153 16:23:19 -153.770177 0.0927 BFGS: 5154 16:23:19 -153.771311 0.0878 BFGS: 5155 16:23:20 -153.773887 0.2412 BFGS: 5156 16:23:20 -153.776680 0.0790 BFGS: 5157 16:23:21 -153.770160 0.0934 BFGS: 5158 16:23:22 -153.770953 0.0877 BFGS: 5159 16:23:22 -153.774355 0.2536 BFGS: 5160 16:23:23 -153.776667 0.0814 BFGS: 5161 16:23:23 -153.770155 0.0929 BFGS: 5162 16:23:24 -153.771308 0.0877 BFGS: 5163 16:23:25 -153.774501 0.2382 BFGS: 5164 16:23:26 -153.775838 0.0546 BFGS: 5165 16:23:27 -153.770802 0.0784 BFGS: 5166 16:23:28 -153.771958 0.0888 BFGS: 5167 16:23:28 -153.774059 0.2261 BFGS: 5168 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0.0903 BFGS: 5398 16:26:27 -153.771317 0.0854 BFGS: 5399 16:26:27 -153.773994 0.2253 BFGS: 5400 16:26:28 -153.776693 0.0769 BFGS: 5401 16:26:29 -153.770233 0.0883 BFGS: 5402 16:26:29 -153.771330 0.0856 BFGS: 5403 16:26:30 -153.773988 0.2256 BFGS: 5404 16:26:31 -153.776685 0.0792 BFGS: 5405 16:26:31 -153.770188 0.0897 BFGS: 5406 16:26:32 -153.771320 0.0854 BFGS: 5407 16:26:33 -153.773994 0.2248 BFGS: 5408 16:26:33 -153.776691 0.0746 BFGS: 5409 16:26:34 -153.770255 0.0874 BFGS: 5410 16:26:36 -153.771337 0.0856 BFGS: 5411 16:26:36 -153.774261 0.2253 BFGS: 5412 16:26:37 -153.776684 0.0792 BFGS: 5413 16:26:38 -153.770208 0.0888 BFGS: 5414 16:26:38 -153.771324 0.0852 BFGS: 5415 16:26:39 -153.773993 0.2248 BFGS: 5416 16:26:39 -153.775841 0.0542 BFGS: 5417 16:26:40 -153.770814 0.0783 BFGS: 5418 16:26:41 -153.771993 0.0870 BFGS: 5419 16:26:42 -153.774206 0.2069 BFGS: 5420 16:26:44 -153.776586 0.0899 BFGS: 5421 16:26:44 -153.769999 0.0941 BFGS: 5422 16:26:45 -153.770942 0.0850 BFGS: 5423 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0.2039 BFGS: 5500 16:27:51 -153.776579 0.0904 BFGS: 5501 16:27:52 -153.769986 0.0933 BFGS: 5502 16:27:53 -153.770942 0.0845 BFGS: 5503 16:27:54 -153.774192 0.2330 BFGS: 5504 16:27:55 -153.776693 0.0782 BFGS: 5505 16:27:56 -153.770234 0.0872 BFGS: 5506 16:27:57 -153.771330 0.0852 BFGS: 5507 16:27:57 -153.774004 0.2229 BFGS: 5508 16:27:58 -153.776688 0.0792 BFGS: 5509 16:27:58 -153.770192 0.0885 BFGS: 5510 16:27:59 -153.771321 0.0850 BFGS: 5511 16:28:00 -153.774009 0.2224 BFGS: 5512 16:28:01 -153.776693 0.0772 BFGS: 5513 16:28:02 -153.770229 0.0873 BFGS: 5514 16:28:02 -153.771330 0.0851 BFGS: 5515 16:28:03 -153.774004 0.2226 BFGS: 5516 16:28:05 -153.776688 0.0787 BFGS: 5517 16:28:05 -153.770198 0.0882 BFGS: 5518 16:28:06 -153.771323 0.0849 BFGS: 5519 16:28:07 -153.774008 0.2221 BFGS: 5520 16:28:07 -153.776692 0.0748 BFGS: 5521 16:28:08 -153.770255 0.0862 BFGS: 5522 16:28:09 -153.771337 0.0851 BFGS: 5523 16:28:10 -153.774275 0.2226 BFGS: 5524 16:28:10 -153.776686 0.0788 BFGS: 5525 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0.0848 BFGS: 5551 16:28:31 -153.774010 0.2217 BFGS: 5552 16:28:33 -153.776693 0.0768 BFGS: 5553 16:28:34 -153.770230 0.0867 BFGS: 5554 16:28:34 -153.771331 0.0849 BFGS: 5555 16:28:35 -153.774280 0.2219 BFGS: 5556 16:28:37 -153.776691 0.0775 BFGS: 5557 16:28:38 -153.770240 0.0862 BFGS: 5558 16:28:39 -153.771332 0.0848 BFGS: 5559 16:28:40 -153.774280 0.2221 BFGS: 5560 16:28:40 -153.776690 0.0771 BFGS: 5561 16:28:40 -153.770243 0.0860 BFGS: 5562 16:28:41 -153.771333 0.0847 BFGS: 5563 16:28:41 -153.774005 0.2224 BFGS: 5564 16:28:41 -153.776687 0.0782 BFGS: 5565 16:28:41 -153.770201 0.0874 BFGS: 5566 16:28:41 -153.770969 0.0845 BFGS: 5567 16:28:41 -153.774477 0.2346 BFGS: 5568 16:28:42 -153.776678 0.0809 BFGS: 5569 16:28:42 -153.770191 0.0872 BFGS: 5570 16:28:43 -153.771321 0.0845 BFGS: 5571 16:28:44 -153.774617 0.2203 BFGS: 5572 16:28:44 -153.775848 0.0529 BFGS: 5573 16:28:45 -153.770832 0.0804 BFGS: 5574 16:28:46 -153.772015 0.0864 BFGS: 5575 16:28:47 -153.774223 0.2027 BFGS: 5576 16:28:48 -153.776574 0.0908 BFGS: 5577 16:28:49 -153.769973 0.0928 BFGS: 5578 16:28:50 -153.770941 0.0842 BFGS: 5579 16:28:51 -153.774198 0.2317 BFGS: 5580 16:28:51 -153.776695 0.0774 BFGS: 5581 16:28:52 -153.770244 0.0861 BFGS: 5582 16:28:52 -153.771333 0.0849 BFGS: 5583 16:28:53 -153.774005 0.2221 BFGS: 5584 16:28:53 -153.776687 0.0793 BFGS: 5585 16:28:55 -153.770184 0.0880 BFGS: 5586 16:28:55 -153.771320 0.0847 BFGS: 5587 16:28:56 -153.774012 0.2213 BFGS: 5588 16:28:57 -153.776695 0.0748 BFGS: 5589 16:28:58 -153.770260 0.0855 BFGS: 5590 16:28:58 -153.771338 0.0850 BFGS: 5591 16:28:59 -153.774002 0.2221 BFGS: 5592 16:28:59 -153.776684 0.0798 BFGS: 5593 16:29:00 -153.770171 0.0883 BFGS: 5594 16:29:01 -153.771317 0.0845 BFGS: 5595 16:29:02 -153.774013 0.2209 BFGS: 5596 16:29:03 -153.775847 0.0533 BFGS: 5597 16:29:04 -153.770823 0.0800 BFGS: 5598 16:29:04 -153.772013 0.0866 BFGS: 5599 16:29:05 -153.774217 0.2030 BFGS: 5600 16:29:06 -153.776574 0.0906 BFGS: 5601 16:29:07 -153.769973 0.0927 BFGS: 5602 16:29:08 -153.770941 0.0844 BFGS: 5603 16:29:09 -153.774199 0.2313 BFGS: 5604 16:29:10 -153.776695 0.0783 BFGS: 5605 16:29:11 -153.770232 0.0863 BFGS: 5606 16:29:12 -153.771330 0.0850 BFGS: 5607 16:29:12 -153.774007 0.2218 BFGS: 5608 16:29:12 -153.776689 0.0794 BFGS: 5609 16:29:13 -153.770186 0.0876 BFGS: 5610 16:29:13 -153.771320 0.0848 BFGS: 5611 16:29:13 -153.774012 0.2212 BFGS: 5612 16:29:14 -153.776695 0.0778 BFGS: 5613 16:29:15 -153.770220 0.0865 BFGS: 5614 16:29:16 -153.771328 0.0849 BFGS: 5615 16:29:16 -153.774007 0.2215 BFGS: 5616 16:29:17 -153.776690 0.0789 BFGS: 5617 16:29:17 -153.770194 0.0872 BFGS: 5618 16:29:17 -153.771322 0.0847 BFGS: 5619 16:29:17 -153.774010 0.2211 BFGS: 5620 16:29:18 -153.776694 0.0772 BFGS: 5621 16:29:18 -153.770224 0.0862 BFGS: 5622 16:29:18 -153.771329 0.0848 BFGS: 5623 16:29:18 -153.774006 0.2213 BFGS: 5624 16:29:19 -153.776690 0.0785 BFGS: 5625 16:29:21 -153.770196 0.0870 BFGS: 5626 16:29:21 -153.771322 0.0846 BFGS: 5627 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0.0782 BFGS: 5653 16:29:41 -153.770205 0.0865 BFGS: 5654 16:29:42 -153.771324 0.0846 BFGS: 5655 16:29:43 -153.774281 0.2209 BFGS: 5656 16:29:44 -153.776694 0.0758 BFGS: 5657 16:29:44 -153.770263 0.0846 BFGS: 5658 16:29:46 -153.771338 0.0848 BFGS: 5659 16:29:47 -153.774275 0.2218 BFGS: 5660 16:29:48 -153.776687 0.0796 BFGS: 5661 16:29:48 -153.770197 0.0865 BFGS: 5662 16:29:50 -153.771322 0.0844 BFGS: 5663 16:29:51 -153.774008 0.2212 BFGS: 5664 16:29:52 -153.775845 0.0534 BFGS: 5665 16:29:53 -153.770836 0.0803 BFGS: 5666 16:29:54 -153.772019 0.0863 BFGS: 5667 16:29:55 -153.774217 0.2027 BFGS: 5668 16:29:56 -153.776570 0.0911 BFGS: 5669 16:29:57 -153.769958 0.0923 BFGS: 5670 16:29:57 -153.770938 0.0841 BFGS: 5671 16:29:58 -153.774197 0.2311 BFGS: 5672 16:29:59 -153.776696 0.0782 BFGS: 5673 16:29:59 -153.770230 0.0856 BFGS: 5674 16:30:00 -153.771329 0.0848 BFGS: 5675 16:30:00 -153.774003 0.2216 BFGS: 5676 16:30:01 -153.776689 0.0796 BFGS: 5677 16:30:01 -153.770177 0.0872 BFGS: 5678 16:30:02 -153.771318 0.0845 BFGS: 5679 16:30:02 -153.774009 0.2210 BFGS: 5680 16:30:03 -153.776696 0.0775 BFGS: 5681 16:30:04 -153.770220 0.0859 BFGS: 5682 16:30:04 -153.771328 0.0846 BFGS: 5683 16:30:05 -153.774003 0.2214 BFGS: 5684 16:30:05 -153.776690 0.0791 BFGS: 5685 16:30:06 -153.770184 0.0869 BFGS: 5686 16:30:07 -153.771319 0.0844 BFGS: 5687 16:30:08 -153.774007 0.2209 BFGS: 5688 16:30:09 -153.776695 0.0764 BFGS: 5689 16:30:10 -153.770232 0.0854 BFGS: 5690 16:30:11 -153.771331 0.0846 BFGS: 5691 16:30:12 -153.774001 0.2213 BFGS: 5692 16:30:13 -153.776688 0.0792 BFGS: 5693 16:30:14 -153.770178 0.0870 BFGS: 5694 16:30:15 -153.770963 0.0843 BFGS: 5695 16:30:15 -153.774476 0.2333 BFGS: 5696 16:30:16 -153.776681 0.0808 BFGS: 5697 16:30:18 -153.770184 0.0862 BFGS: 5698 16:30:18 -153.771319 0.0843 BFGS: 5699 16:30:19 -153.774612 0.2195 BFGS: 5700 16:30:20 -153.775849 0.0526 BFGS: 5701 16:30:20 -153.770863 0.0814 BFGS: 5702 16:30:20 -153.772026 0.0863 BFGS: 5703 16:30:20 -153.774222 0.2014 BFGS: 5704 16:30:20 -153.776565 0.0913 BFGS: 5705 16:30:21 -153.769947 0.0921 BFGS: 5706 16:30:22 -153.770937 0.0840 BFGS: 5707 16:30:22 -153.774196 0.2305 BFGS: 5708 16:30:23 -153.776697 0.0777 BFGS: 5709 16:30:24 -153.770231 0.0853 BFGS: 5710 16:30:25 -153.771329 0.0847 BFGS: 5711 16:30:25 -153.774000 0.2213 BFGS: 5712 16:30:26 -153.776689 0.0795 BFGS: 5713 16:30:27 -153.770171 0.0871 BFGS: 5714 16:30:28 -153.771316 0.0844 BFGS: 5715 16:30:29 -153.774007 0.2206 BFGS: 5716 16:30:29 -153.776696 0.0768 BFGS: 5717 16:30:29 -153.770226 0.0855 BFGS: 5718 16:30:30 -153.771329 0.0846 BFGS: 5719 16:30:30 -153.773999 0.2212 BFGS: 5720 16:30:30 -153.776689 0.0792 BFGS: 5721 16:30:30 -153.770174 0.0870 BFGS: 5722 16:30:30 -153.771317 0.0844 BFGS: 5723 16:30:31 -153.774005 0.2206 BFGS: 5724 16:30:31 -153.775847 0.0532 BFGS: 5725 16:30:32 -153.770852 0.0809 BFGS: 5726 16:30:33 -153.772025 0.0865 BFGS: 5727 16:30:34 -153.774212 0.2023 BFGS: 5728 16:30:34 -153.776564 0.0912 BFGS: 5729 16:30:35 -153.769945 0.0920 BFGS: 5730 16:30:36 -153.770937 0.0842 BFGS: 5731 16:30:37 -153.773921 0.2304 BFGS: 5732 16:30:37 -153.776694 0.0788 BFGS: 5733 16:30:38 -153.770189 0.0865 BFGS: 5734 16:30:39 -153.771320 0.0847 BFGS: 5735 16:30:40 -153.774002 0.2207 BFGS: 5736 16:30:41 -153.776693 0.0787 BFGS: 5737 16:30:43 -153.770189 0.0864 BFGS: 5738 16:30:44 -153.771320 0.0847 BFGS: 5739 16:30:45 -153.774001 0.2207 BFGS: 5740 16:30:46 -153.776693 0.0786 BFGS: 5741 16:30:48 -153.770190 0.0863 BFGS: 5742 16:30:49 -153.771320 0.0846 BFGS: 5743 16:30:50 -153.774000 0.2207 BFGS: 5744 16:30:51 -153.776693 0.0785 BFGS: 5745 16:30:51 -153.770192 0.0862 BFGS: 5746 16:30:52 -153.771320 0.0846 BFGS: 5747 16:30:53 -153.774000 0.2207 BFGS: 5748 16:30:53 -153.776693 0.0783 BFGS: 5749 16:30:54 -153.770193 0.0860 BFGS: 5750 16:30:54 -153.771321 0.0845 BFGS: 5751 16:30:55 -153.774273 0.2208 BFGS: 5752 16:30:56 -153.776695 0.0768 BFGS: 5753 16:30:56 -153.770241 0.0845 BFGS: 5754 16:30:56 -153.771332 0.0846 BFGS: 5755 16:30:56 -153.773993 0.2215 BFGS: 5756 16:30:57 -153.776687 0.0798 BFGS: 5757 16:30:57 -153.770158 0.0870 BFGS: 5758 16:30:58 -153.770958 0.0842 BFGS: 5759 16:30:59 -153.774472 0.2332 BFGS: 5760 16:31:00 -153.776683 0.0805 BFGS: 5761 16:31:01 -153.770182 0.0857 BFGS: 5762 16:31:02 -153.771318 0.0843 BFGS: 5763 16:31:03 -153.774604 0.2197 BFGS: 5764 16:31:05 -153.775849 0.0526 BFGS: 5765 16:31:05 -153.770876 0.0818 BFGS: 5766 16:31:06 -153.772031 0.0862 BFGS: 5767 16:31:07 -153.774215 0.2014 BFGS: 5768 16:31:07 -153.776559 0.0915 BFGS: 5769 16:31:08 -153.769932 0.0918 BFGS: 5770 16:31:09 -153.770935 0.0840 BFGS: 5771 16:31:09 -153.774191 0.2303 BFGS: 5772 16:31:10 -153.776697 0.0776 BFGS: 5773 16:31:11 -153.770226 0.0849 BFGS: 5774 16:31:12 -153.771328 0.0847 BFGS: 5775 16:31:12 -153.773992 0.2214 BFGS: 5776 16:31:13 -153.776688 0.0796 BFGS: 5777 16:31:14 -153.770160 0.0869 BFGS: 5778 16:31:14 -153.771313 0.0844 BFGS: 5779 16:31:15 -153.773999 0.2207 BFGS: 5780 16:31:15 -153.776697 0.0767 BFGS: 5781 16:31:16 -153.770221 0.0851 BFGS: 5782 16:31:17 -153.771327 0.0846 BFGS: 5783 16:31:18 -153.773991 0.2214 BFGS: 5784 16:31:19 -153.776689 0.0793 BFGS: 5785 16:31:19 -153.770163 0.0868 BFGS: 5786 16:31:21 -153.771314 0.0843 BFGS: 5787 16:31:23 -153.773997 0.2206 BFGS: 5788 16:31:23 -153.775848 0.0530 BFGS: 5789 16:31:24 -153.770866 0.0813 BFGS: 5790 16:31:25 -153.772030 0.0864 BFGS: 5791 16:31:26 -153.774205 0.2023 BFGS: 5792 16:31:27 -153.776559 0.0914 BFGS: 5793 16:31:27 -153.769929 0.0918 BFGS: 5794 16:31:28 -153.770934 0.0841 BFGS: 5795 16:31:29 -153.773915 0.2302 BFGS: 5796 16:31:30 -153.776695 0.0786 BFGS: 5797 16:31:31 -153.770182 0.0861 BFGS: 5798 16:31:32 -153.771318 0.0847 BFGS: 5799 16:31:32 -153.773993 0.2209 BFGS: 5800 16:31:33 -153.776693 0.0787 BFGS: 5801 16:31:34 -153.770179 0.0862 BFGS: 5802 16:31:34 -153.771317 0.0846 BFGS: 5803 16:31:35 -153.773993 0.2208 BFGS: 5804 16:31:36 -153.776694 0.0785 BFGS: 5805 16:31:36 -153.770183 0.0860 BFGS: 5806 16:31:37 -153.771318 0.0846 BFGS: 5807 16:31:38 -153.773992 0.2209 BFGS: 5808 16:31:38 -153.776693 0.0785 BFGS: 5809 16:31:39 -153.770182 0.0859 BFGS: 5810 16:31:40 -153.771318 0.0845 BFGS: 5811 16:31:41 -153.773991 0.2209 BFGS: 5812 16:31:41 -153.776693 0.0782 BFGS: 5813 16:31:42 -153.770186 0.0858 BFGS: 5814 16:31:43 -153.771319 0.0845 BFGS: 5815 16:31:44 -153.774264 0.2210 BFGS: 5816 16:31:44 -153.776695 0.0769 BFGS: 5817 16:31:44 -153.770231 0.0843 BFGS: 5818 16:31:45 -153.771329 0.0846 BFGS: 5819 16:31:46 -153.773983 0.2217 BFGS: 5820 16:31:47 -153.776687 0.0797 BFGS: 5821 16:31:48 -153.770150 0.0868 BFGS: 5822 16:31:48 -153.771311 0.0842 BFGS: 5823 16:31:49 -153.774267 0.2208 BFGS: 5824 16:31:50 -153.775850 0.0526 BFGS: 5825 16:31:51 -153.770881 0.0819 BFGS: 5826 16:31:52 -153.772034 0.0862 BFGS: 5827 16:31:53 -153.774205 0.2022 BFGS: 5828 16:31:55 -153.776555 0.0918 BFGS: 5829 16:31:55 -153.769918 0.0916 BFGS: 5830 16:31:56 -153.770932 0.0839 BFGS: 5831 16:31:57 -153.773910 0.2306 BFGS: 5832 16:31:58 -153.776695 0.0784 BFGS: 5833 16:31:59 -153.770180 0.0858 BFGS: 5834 16:32:00 -153.771317 0.0845 BFGS: 5835 16:32:01 -153.773987 0.2213 BFGS: 5836 16:32:01 -153.776693 0.0787 BFGS: 5837 16:32:01 -153.770173 0.0860 BFGS: 5838 16:32:02 -153.771315 0.0844 BFGS: 5839 16:32:03 -153.773987 0.2212 BFGS: 5840 16:32:04 -153.776694 0.0783 BFGS: 5841 16:32:05 -153.770182 0.0858 BFGS: 5842 16:32:05 -153.771317 0.0844 BFGS: 5843 16:32:06 -153.773985 0.2213 BFGS: 5844 16:32:06 -153.776693 0.0784 BFGS: 5845 16:32:07 -153.770177 0.0858 BFGS: 5846 16:32:07 -153.771316 0.0844 BFGS: 5847 16:32:08 -153.773985 0.2213 BFGS: 5848 16:32:09 -153.776693 0.0778 BFGS: 5849 16:32:10 -153.770186 0.0855 BFGS: 5850 16:32:11 -153.771319 0.0844 BFGS: 5851 16:32:12 -153.773983 0.2214 BFGS: 5852 16:32:12 -153.776692 0.0780 BFGS: 5853 16:32:13 -153.770180 0.0857 BFGS: 5854 16:32:14 -153.771317 0.0843 BFGS: 5855 16:32:15 -153.774257 0.2213 BFGS: 5856 16:32:16 -153.775847 0.0531 BFGS: 5857 16:32:17 -153.770882 0.0819 BFGS: 5858 16:32:17 -153.772036 0.0862 BFGS: 5859 16:32:18 -153.774200 0.2022 BFGS: 5860 16:32:19 -153.776553 0.0919 BFGS: 5861 16:32:19 -153.769909 0.0916 BFGS: 5862 16:32:20 -153.770930 0.0839 BFGS: 5863 16:32:21 -153.773904 0.2306 BFGS: 5864 16:32:22 -153.776695 0.0784 BFGS: 5865 16:32:23 -153.770175 0.0858 BFGS: 5866 16:32:24 -153.771315 0.0845 BFGS: 5867 16:32:25 -153.773982 0.2214 BFGS: 5868 16:32:25 -153.776693 0.0787 BFGS: 5869 16:32:26 -153.770167 0.0860 BFGS: 5870 16:32:27 -153.771314 0.0844 BFGS: 5871 16:32:27 -153.773982 0.2213 BFGS: 5872 16:32:28 -153.776694 0.0782 BFGS: 5873 16:32:29 -153.770176 0.0857 BFGS: 5874 16:32:30 -153.771316 0.0844 BFGS: 5875 16:32:31 -153.773979 0.2214 BFGS: 5876 16:32:32 -153.776693 0.0784 BFGS: 5877 16:32:33 -153.770171 0.0858 BFGS: 5878 16:32:33 -153.771315 0.0843 BFGS: 5879 16:32:34 -153.773979 0.2214 BFGS: 5880 16:32:34 -153.776694 0.0778 BFGS: 5881 16:32:35 -153.770181 0.0855 BFGS: 5882 16:32:37 -153.771317 0.0844 BFGS: 5883 16:32:37 -153.774251 0.2215 BFGS: 5884 16:32:38 -153.776694 0.0765 BFGS: 5885 16:32:40 -153.770224 0.0841 BFGS: 5886 16:32:40 -153.771327 0.0844 BFGS: 5887 16:32:41 -153.773971 0.2221 BFGS: 5888 16:32:42 -153.776686 0.0797 BFGS: 5889 16:32:43 -153.770136 0.0867 BFGS: 5890 16:32:44 -153.770952 0.0840 BFGS: 5891 16:32:44 -153.774450 0.2339 BFGS: 5892 16:32:46 -153.776684 0.0803 BFGS: 5893 16:32:47 -153.770163 0.0854 BFGS: 5894 16:32:47 -153.771312 0.0841 BFGS: 5895 16:32:48 -153.774582 0.2204 BFGS: 5896 16:32:49 -153.775849 0.0525 BFGS: 5897 16:32:50 -153.770899 0.0826 BFGS: 5898 16:32:51 -153.772040 0.0861 BFGS: 5899 16:32:51 -153.774199 0.2016 BFGS: 5900 16:32:53 -153.776549 0.0921 BFGS: 5901 16:32:53 -153.769895 0.0916 BFGS: 5902 16:32:54 -153.770928 0.0838 BFGS: 5903 16:32:55 -153.774173 0.2304 BFGS: 5904 16:32:57 -153.776698 0.0767 BFGS: 5905 16:32:58 -153.770218 0.0842 BFGS: 5906 16:32:59 -153.771325 0.0846 BFGS: 5907 16:32:59 -153.773968 0.2221 BFGS: 5908 16:33:00 -153.776687 0.0797 BFGS: 5909 16:33:01 -153.770130 0.0868 BFGS: 5910 16:33:02 -153.771305 0.0841 BFGS: 5911 16:33:03 -153.773978 0.2211 BFGS: 5912 16:33:03 -153.775850 0.0527 BFGS: 5913 16:33:04 -153.770890 0.0821 BFGS: 5914 16:33:05 -153.772039 0.0866 BFGS: 5915 16:33:07 -153.774183 0.2029 BFGS: 5916 16:33:07 -153.776548 0.0917 BFGS: 5917 16:33:08 -153.769895 0.0916 BFGS: 5918 16:33:09 -153.770928 0.0840 BFGS: 5919 16:33:10 -153.773899 0.2302 BFGS: 5920 16:33:10 -153.776695 0.0783 BFGS: 5921 16:33:11 -153.770163 0.0857 BFGS: 5922 16:33:11 -153.771312 0.0846 BFGS: 5923 16:33:12 -153.773971 0.2216 BFGS: 5924 16:33:13 -153.776693 0.0787 BFGS: 5925 16:33:14 -153.770155 0.0859 BFGS: 5926 16:33:14 -153.771310 0.0845 BFGS: 5927 16:33:16 -153.773971 0.2216 BFGS: 5928 16:33:16 -153.776694 0.0784 BFGS: 5929 16:33:17 -153.770162 0.0856 BFGS: 5930 16:33:17 -153.771312 0.0846 BFGS: 5931 16:33:18 -153.773969 0.2218 BFGS: 5932 16:33:18 -153.776693 0.0785 BFGS: 5933 16:33:19 -153.770158 0.0856 BFGS: 5934 16:33:21 -153.771311 0.0845 BFGS: 5935 16:33:21 -153.773968 0.2218 BFGS: 5936 16:33:22 -153.776694 0.0782 BFGS: 5937 16:33:23 -153.770163 0.0854 BFGS: 5938 16:33:24 -153.771312 0.0845 BFGS: 5939 16:33:24 -153.773966 0.2219 BFGS: 5940 16:33:26 -153.776693 0.0782 BFGS: 5941 16:33:27 -153.770161 0.0855 BFGS: 5942 16:33:28 -153.771312 0.0844 BFGS: 5943 16:33:29 -153.773965 0.2219 BFGS: 5944 16:33:30 -153.776693 0.0777 BFGS: 5945 16:33:31 -153.770168 0.0853 BFGS: 5946 16:33:32 -153.771313 0.0844 BFGS: 5947 16:33:33 -153.773963 0.2221 BFGS: 5948 16:33:34 -153.776692 0.0778 BFGS: 5949 16:33:35 -153.770165 0.0854 BFGS: 5950 16:33:36 -153.771313 0.0844 BFGS: 5951 16:33:36 -153.774237 0.2220 BFGS: 5952 16:33:37 -153.775846 0.0530 BFGS: 5953 16:33:38 -153.770898 0.0826 BFGS: 5954 16:33:38 -153.772042 0.0863 BFGS: 5955 16:33:39 -153.774182 0.2028 BFGS: 5956 16:33:40 -153.776545 0.0922 BFGS: 5957 16:33:40 -153.769880 0.0915 BFGS: 5958 16:33:41 -153.770925 0.0839 BFGS: 5959 16:33:41 -153.773888 0.2309 BFGS: 5960 16:33:43 -153.776696 0.0780 BFGS: 5961 16:33:44 -153.770160 0.0854 BFGS: 5962 16:33:45 -153.771311 0.0845 BFGS: 5963 16:33:46 -153.773961 0.2221 BFGS: 5964 16:33:46 -153.776693 0.0786 BFGS: 5965 16:33:47 -153.770147 0.0858 BFGS: 5966 16:33:47 -153.771308 0.0844 BFGS: 5967 16:33:48 -153.773962 0.2220 BFGS: 5968 16:33:49 -153.776694 0.0780 BFGS: 5969 16:33:49 -153.770161 0.0854 BFGS: 5970 16:33:49 -153.771311 0.0844 BFGS: 5971 16:33:49 -153.773959 0.2222 BFGS: 5972 16:33:50 -153.776692 0.0783 BFGS: 5973 16:33:50 -153.770150 0.0857 BFGS: 5974 16:33:51 -153.771309 0.0843 BFGS: 5975 16:33:52 -153.773959 0.2221 BFGS: 5976 16:33:52 -153.776694 0.0774 BFGS: 5977 16:33:53 -153.770167 0.0852 BFGS: 5978 16:33:54 -153.771313 0.0844 BFGS: 5979 16:33:55 -153.773956 0.2224 BFGS: 5980 16:33:56 -153.776691 0.0781 BFGS: 5981 16:33:56 -153.770150 0.0856 BFGS: 5982 16:33:57 -153.770954 0.0843 BFGS: 5983 16:33:58 -153.774425 0.2350 BFGS: 5984 16:33:59 -153.776679 0.0812 BFGS: 5985 16:34:00 -153.770125 0.0858 BFGS: 5986 16:34:01 -153.771303 0.0841 BFGS: 5987 16:34:02 -153.774565 0.2209 BFGS: 5988 16:34:03 -153.775850 0.0522 BFGS: 5989 16:34:04 -153.770915 0.0833 BFGS: 5990 16:34:05 -153.772046 0.0863 BFGS: 5991 16:34:06 -153.774181 0.2020 BFGS: 5992 16:34:06 -153.776541 0.0923 BFGS: 5993 16:34:07 -153.769867 0.0915 BFGS: 5994 16:34:07 -153.770922 0.0839 BFGS: 5995 16:34:08 -153.774155 0.2308 BFGS: 5996 16:34:09 -153.776698 0.0767 BFGS: 5997 16:34:10 -153.770198 0.0841 BFGS: 5998 16:34:11 -153.771319 0.0847 BFGS: 5999 16:34:12 -153.773947 0.2228 BFGS: 6000 16:34:13 -153.776687 0.0796 BFGS: 6001 16:34:14 -153.770111 0.0866 BFGS: 6002 16:34:16 -153.771300 0.0842 BFGS: 6003 16:34:18 -153.773958 0.2219 BFGS: 6004 16:34:19 -153.776698 0.0747 BFGS: 6005 16:34:20 -153.770214 0.0837 BFGS: 6006 16:34:22 -153.771324 0.0847 BFGS: 6007 16:34:23 -153.773942 0.2232 BFGS: 6008 16:34:24 -153.776684 0.0802 BFGS: 6009 16:34:24 -153.770095 0.0871 BFGS: 6010 16:34:25 -153.770941 0.0841 BFGS: 6011 16:34:25 -153.774431 0.2341 BFGS: 6012 16:34:26 -153.776686 0.0797 BFGS: 6013 16:34:26 -153.770147 0.0850 BFGS: 6014 16:34:27 -153.771307 0.0843 BFGS: 6015 16:34:28 -153.774224 0.2215 BFGS: 6016 16:34:29 -153.775847 0.0529 BFGS: 6017 16:34:29 -153.770909 0.0830 BFGS: 6018 16:34:30 -153.772046 0.0866 BFGS: 6019 16:34:31 -153.774167 0.2029 BFGS: 6020 16:34:32 -153.776538 0.0922 BFGS: 6021 16:34:32 -153.769860 0.0915 BFGS: 6022 16:34:33 -153.770921 0.0840 BFGS: 6023 16:34:34 -153.773876 0.2306 BFGS: 6024 16:34:34 -153.776696 0.0777 BFGS: 6025 16:34:35 -153.770148 0.0854 BFGS: 6026 16:34:35 -153.771307 0.0846 BFGS: 6027 16:34:36 -153.773946 0.2223 BFGS: 6028 16:34:37 -153.776692 0.0784 BFGS: 6029 16:34:37 -153.770132 0.0858 BFGS: 6030 16:34:38 -153.771304 0.0845 BFGS: 6031 16:34:39 -153.773947 0.2222 BFGS: 6032 16:34:39 -153.776694 0.0776 BFGS: 6033 16:34:40 -153.770149 0.0853 BFGS: 6034 16:34:41 -153.771307 0.0845 BFGS: 6035 16:34:43 -153.773943 0.2225 BFGS: 6036 16:34:43 -153.776692 0.0781 BFGS: 6037 16:34:44 -153.770135 0.0857 BFGS: 6038 16:34:45 -153.771304 0.0844 BFGS: 6039 16:34:46 -153.773944 0.2225 BFGS: 6040 16:34:47 -153.776694 0.0771 BFGS: 6041 16:34:48 -153.770155 0.0851 BFGS: 6042 16:34:48 -153.771309 0.0845 BFGS: 6043 16:34:49 -153.774214 0.2228 BFGS: 6044 16:34:49 -153.776693 0.0769 BFGS: 6045 16:34:50 -153.770180 0.0843 BFGS: 6046 16:34:51 -153.771315 0.0845 BFGS: 6047 16:34:52 -153.774210 0.2233 BFGS: 6048 16:34:53 -153.776690 0.0781 BFGS: 6049 16:34:53 -153.770156 0.0849 BFGS: 6050 16:34:54 -153.771309 0.0843 BFGS: 6051 16:34:54 -153.773938 0.2232 BFGS: 6052 16:34:55 -153.776691 0.0766 BFGS: 6053 16:34:55 -153.770160 0.0848 BFGS: 6054 16:34:55 -153.771311 0.0844 BFGS: 6055 16:34:55 -153.774210 0.2234 BFGS: 6056 16:34:56 -153.775843 0.0532 BFGS: 6057 16:34:56 -153.770912 0.0831 BFGS: 6058 16:34:56 -153.772048 0.0863 BFGS: 6059 16:34:57 -153.774156 0.2039 BFGS: 6060 16:34:57 -153.776535 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0.0957 BFGS: 8611 17:08:24 -153.773181 0.3045 BFGS: 8612 17:08:25 -153.776146 0.0961 BFGS: 8613 17:08:26 -153.769842 0.0753 BFGS: 8614 17:08:27 -153.771294 0.0891 BFGS: 8615 17:08:28 -153.774086 0.2155 BFGS: 8616 17:08:28 -153.776560 0.0781 BFGS: 8617 17:08:29 -153.769261 0.1031 BFGS: 8618 17:08:30 -153.770728 0.0805 BFGS: 8619 17:08:30 -153.773839 0.1866 BFGS: 8620 17:08:30 -153.776713 0.0641 BFGS: 8621 17:08:31 -153.769549 0.0870 BFGS: 8622 17:08:32 -153.770780 0.0826 BFGS: 8623 17:08:33 -153.773722 0.1982 BFGS: 8624 17:08:33 -153.776672 0.0728 BFGS: 8625 17:08:34 -153.769128 0.1106 BFGS: 8626 17:08:35 -153.770680 0.0787 BFGS: 8627 17:08:36 -153.773894 0.1854 BFGS: 8628 17:08:36 -153.775872 0.0445 BFGS: 8629 17:08:37 -153.771896 0.0929 BFGS: 8630 17:08:37 -153.772961 0.0953 BFGS: 8631 17:08:38 -153.773205 0.3044 BFGS: 8632 17:08:39 -153.776155 0.0958 BFGS: 8633 17:08:40 -153.769832 0.0767 BFGS: 8634 17:08:40 -153.771745 0.0882 BFGS: 8635 17:08:41 -153.773497 0.2172 BFGS: 8636 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0.0429 BFGS: 9937 17:25:23 -153.772845 0.1540 BFGS: 9938 17:25:24 -153.773677 0.0606 BFGS: 9939 17:25:25 -153.773202 0.0879 BFGS: 9940 17:25:26 -153.775010 0.0446 BFGS: 9941 17:25:27 -153.772871 0.1505 BFGS: 9942 17:25:28 -153.773680 0.0592 BFGS: 9943 17:25:29 -153.773194 0.0883 BFGS: 9944 17:25:29 -153.775007 0.0448 BFGS: 9945 17:25:29 -153.772872 0.1502 BFGS: 9946 17:25:30 -153.772833 0.0469 BFGS: 9947 17:25:31 -153.773215 0.0864 BFGS: 9948 17:25:32 -153.775390 0.0429 BFGS: 9949 17:25:33 -153.772846 0.1533 BFGS: 9950 17:25:34 -153.773676 0.0608 BFGS: 9951 17:25:35 -153.773204 0.0875 BFGS: 9952 17:25:36 -153.775011 0.0446 BFGS: 9953 17:25:37 -153.772871 0.1500 BFGS: 9954 17:25:38 -153.773678 0.0599 BFGS: 9955 17:25:38 -153.773197 0.0878 BFGS: 9956 17:25:39 -153.775008 0.0447 BFGS: 9957 17:25:40 -153.772870 0.1499 BFGS: 9958 17:25:41 -153.773679 0.0585 BFGS: 9959 17:25:42 -153.773193 0.0879 BFGS: 9960 17:25:42 -153.775007 0.0448 BFGS: 9961 17:25:43 -153.772869 0.1498 BFGS: 9962 17:25:43 -153.772831 0.0471 BFGS: 9963 17:25:44 -153.773214 0.0858 BFGS: 9964 17:25:45 -153.775391 0.0429 BFGS: 9965 17:25:46 -153.772843 0.1528 BFGS: 9966 17:25:47 -153.773673 0.0607 BFGS: 9967 17:25:47 -153.773204 0.0868 BFGS: 9968 17:25:48 -153.775013 0.0445 BFGS: 9969 17:25:49 -153.772867 0.1496 BFGS: 9970 17:25:49 -153.773675 0.0598 BFGS: 9971 17:25:50 -153.773197 0.0870 BFGS: 9972 17:25:50 -153.775010 0.0446 BFGS: 9973 17:25:51 -153.772865 0.1495 BFGS: 9974 17:25:52 -153.773676 0.0586 BFGS: 9975 17:25:52 -153.773193 0.0870 BFGS: 9976 17:25:52 -153.775009 0.0446 BFGS: 9977 17:25:52 -153.772864 0.1494 BFGS: 9978 17:25:52 -153.772827 0.0471 BFGS: 9979 17:25:53 -153.773215 0.0849 BFGS: 9980 17:25:54 -153.775392 0.0429 BFGS: 9981 17:25:55 -153.772838 0.1523 BFGS: 9982 17:25:56 -153.773670 0.0606 BFGS: 9983 17:25:56 -153.773204 0.0858 BFGS: 9984 17:25:57 -153.775014 0.0443 BFGS: 9985 17:25:57 -153.772862 0.1492 BFGS: 9986 17:25:58 -153.773672 0.0598 BFGS: 9987 17:25:59 -153.773197 0.0860 BFGS: 9988 17:26:00 -153.775012 0.0445 BFGS: 9989 17:26:01 -153.772860 0.1490 BFGS: 9990 17:26:01 -153.773672 0.0586 BFGS: 9991 17:26:02 -153.773193 0.0860 BFGS: 9992 17:26:02 -153.775011 0.0445 BFGS: 9993 17:26:03 -153.772858 0.1490 BFGS: 9994 17:26:03 -153.773672 0.0551 BFGS: 9995 17:26:04 -153.773191 0.0857 BFGS: 9996 17:26:05 -153.775011 0.0444 BFGS: 9997 17:26:06 -153.772855 0.1490 BFGS: 9998 17:26:07 -153.772822 0.0470 BFGS: 9999 17:26:08 -153.773214 0.0836 BFGS: 10000 17:26:08 -153.775393 0.0428 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.05356616040542894 eV/Angstrom Maximum stress component: 0.0002469144518243527 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.03350499 0.7168306 0.37653097] [0.96649501 0.2831694 0.62346903] [0.25431748 0.98741211 0.06484533] [0.74568252 0.01258789 0.93515467] [0.59043347 0.60842833 0.11700838] [0.40956653 0.39157167 0.88299162] [0.71314933 0.40778155 0.30895929] [0.28685067 0.59221845 0.69104071] [0.47940207 0.50360931 0.23716 ] [0.52059793 0.49639069 0.76284 ] [0.65648162 0.90961477 0.41653518] [0.34351838 0.09038523 0.58346482] [0.42878054 0.03013328 0.32678926] [0.57121946 0.96986672 0.67321074] [0.10819498 0.49606925 0.89171601] [0.89180502 0.50393075 0.10828399] [0.16835725 0.50388172 0.10842351] [0.83164275 0.49611828 0.89157649] [0.31290698 0.03797134 0.88942492] [0.68709302 0.96202866 0.11057508] [0.94435812 0.61947294 0.44107663] [0.05564188 0.38052706 0.55892337] [0.22181554 0.58043343 0.41761616] [0.77818446 0.41956657 0.58238384] [0.26728598 0.7361414 0.35513825] [0.73271402 0.2638586 0.64486175] [0.12088525 0.99873854 0.25328551] [0.87911475 0.00126146 0.74671449] [0.97956426 0.97804548 0.26517763] [0.02043574 0.02195452 0.73482237] [0.30252191 0.09443586 0.00284792] [0.69747809 0.90556414 0.99715208] [0.1946881 0.45554546 0.00103221] [0.8053119 0.54445454 0.99896779] [0.55263738 0.94313729 0.32342101] [0.44736262 0.05686271 0.67657899] [0.5900704 0.54685307 0.23050389] [0.4099296 0.45314693 0.76949611]] cellpar = Cell([[8.745572992021957, 1.0394287967947153, 0.23852472564457075], [1.2417148018451951, 4.1569142985642875, -0.4227255371333579], [-2.935639237843173, 0.5376042230164992, 8.404124984213427]]) forces = [[-2.06156636e-02 3.38021673e-03 -4.14963639e-03] [ 2.06156636e-02 -3.38021673e-03 4.14963639e-03] [-1.54257941e-04 -3.93548033e-04 3.20164235e-04] [ 1.54257941e-04 3.93548033e-04 -3.20164235e-04] [-1.76169818e-04 -1.32053042e-04 1.09651609e-04] [ 1.76169818e-04 1.32053042e-04 -1.09651609e-04] [ 3.60695992e-04 -1.03956761e-04 1.44482649e-04] [-3.60695992e-04 1.03956761e-04 -1.44482649e-04] [-1.37284973e-04 2.18566026e-04 7.29776946e-05] [ 1.37284973e-04 -2.18566026e-04 -7.29776946e-05] [ 1.13308604e-04 -2.01494447e-04 4.88360448e-05] [-1.13308604e-04 2.01494447e-04 -4.88360448e-05] [-3.60020580e-06 1.20262869e-04 1.32526643e-04] [ 3.60020580e-06 -1.20262869e-04 -1.32526643e-04] [-4.70156724e-04 -6.96447816e-06 -1.72015799e-03] [ 4.70156724e-04 6.96447816e-06 1.72015799e-03] [-4.70232991e-04 4.81924067e-04 1.44176158e-03] [ 4.70232991e-04 -4.81924067e-04 -1.44176158e-03] [ 1.06093839e-04 -3.13676373e-04 -1.05475481e-04] [-1.06093839e-04 3.13676373e-04 1.05475481e-04] [ 9.79739276e-03 -5.35661604e-02 -9.59433597e-03] [-9.79739276e-03 5.35661604e-02 9.59433597e-03] [ 3.15816601e-03 -4.56341933e-03 5.37562497e-03] [-3.15816601e-03 4.56341933e-03 -5.37562497e-03] [ 7.39632973e-03 -8.71986698e-03 1.00056130e-02] [-7.39632973e-03 8.71986698e-03 -1.00056130e-02] [-4.04863695e-03 -8.62058406e-03 -4.21099313e-02] [ 4.04863695e-03 8.62058406e-03 4.21099313e-02] [ 6.81146725e-03 -4.48095229e-02 -2.30757638e-02] [-6.81146725e-03 4.48095229e-02 2.30757638e-02] [ 2.43221962e-03 -8.73734755e-03 -8.05045345e-04] [-2.43221962e-03 8.73734755e-03 8.05045345e-04] [-1.02102655e-02 3.57100116e-02 2.07810853e-02] [ 1.02102655e-02 -3.57100116e-02 -2.07810853e-02] [ 1.12438981e-03 -3.45653511e-04 1.99105744e-03] [-1.12438981e-03 3.45653511e-04 -1.99105744e-03] [-1.43465305e-04 1.12712620e-04 1.37994749e-04] [ 1.43465305e-04 -1.12712620e-04 -1.37994749e-04]] stress = [ 8.24381917e-05 -3.85952680e-05 -2.46914452e-04 -1.81698747e-04 -2.02508849e-04 -1.44760811e-04] energy per atom = -3.99177102888137 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0