element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: A5B14C2D2_mP92_14_5e_14e_2e_2e 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', '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', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.0763', '0.72082317', '0.85794147', '144.6157', '0.14240789', '0.16129437', '0.28680157', '0.16204588', '0.8276423', '0.75222475', '0.34436474', '0.65727097', '0.81249068', '0.30400891', '0.33217953', '0.56264379', '0.29072559', '0.081543045', '0.61474637', '0.36832592', '0.59768261', '0.91763452', '0.28549229', '0.86873054', '0.70477492', '0.427551', '0.84963363', '0.96007349', '0.40855506', '0.33865701', '0.72870777', '0.34991714', '0.38238245', '0.52331203', '0.18759629', '0.39230016', '0.48399116', '0.2280826', '0.61296579', '0.65715502', '0.45917181', '0.64965826', '0.86227289', '0.18861503', '0.7696338', '0.86031947', '0.14489427', '0.94099834', '0.75363863', '0.040687397', '0.78651996', '0.59628441', '0.023652137', '0.22882645', '0.18253252', '0.20779507', '0.19058407', '0.26453624', '0.1028791', '0.049726636', '0.2472256', '0.31188425', '0.80822567', '0.81102296', '0.26033214', '0.18470001', '0.49896877', '0.23505165', '0.9548618', '0.54098355', '0.37239904', '0.11862733', '0.78697867'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'O', 'O'] representative atom coordinates = [[0.85759211 0.16129437 0.85560632] [0.83795412 0.8276423 0.40982113] [0.65563526 0.65727097 0.53187406] [0.69599109 0.33217953 0.74136512] [0.70927441 0.08154304 0.67597922] [0.63167408 0.59768261 0.4506914 ] [0.71450771 0.86873054 0.58071737] [0.572449 0.84963363 0.46747751] [0.59144494 0.33865701 0.67984729] [0.65008286 0.38238245 0.82660511] [0.81240371 0.39230016 0.70360513] [0.7719174 0.61296579 0.57092758] [0.54082819 0.64965826 0.59689892] [0.81138497 0.7696338 0.32829556] [0.85510573 0.94099834 0.39125564] [0.9593126 0.78651996 0.44440299] [0.97634786 0.22882645 0.84111962] [0.79220493 0.19058407 0.94325883] [0.8971209 0.04972664 0.8556535 ] [0.68811575 0.80822567 0.50086129] [0.73966786 0.18470001 0.76136337] [0.76494835 0.9548618 0.6940681 ] [0.62760096 0.11862733 0.58542037]] spacegroup = 14 cell = [[7.5924, 0, 0], [0, 9.4257, 0], [0.82417594738798, 0, 11.18838521404]] ========================================= Step Time Energy fmax BFGS: 0 15:37:14 -376.845450 13.386641 BFGS: 1 15:37:14 -382.405210 4.879543 BFGS: 2 15:37:14 -381.987115 12.823438 BFGS: 3 15:37:15 -383.795529 7.640723 BFGS: 4 15:37:15 -383.015831 24.500033 BFGS: 5 15:37:15 -384.823803 10.865074 BFGS: 6 15:37:16 -387.330549 7.309610 BFGS: 7 15:37:16 -388.651366 10.385470 BFGS: 8 15:37:17 -389.102002 8.571540 BFGS: 9 15:37:17 -389.588072 6.773910 BFGS: 10 15:37:18 -390.401622 7.506963 BFGS: 11 15:37:19 -390.875348 4.687454 BFGS: 12 15:37:19 -391.159341 1.369999 BFGS: 13 15:37:20 -391.286292 1.135891 BFGS: 14 15:37:20 -391.388404 1.664451 BFGS: 15 15:37:21 -391.433288 0.724457 BFGS: 16 15:37:21 -391.477472 1.210681 BFGS: 17 15:37:22 -391.532526 1.368051 BFGS: 18 15:37:22 -391.579292 0.661890 BFGS: 19 15:37:22 -391.595189 0.186159 BFGS: 20 15:37:23 -391.627035 0.560825 BFGS: 21 15:37:24 -391.655257 0.725790 BFGS: 22 15:37:24 -391.701101 0.315034 BFGS: 23 15:37:25 -391.715896 0.348808 BFGS: 24 15:37:25 -391.729245 0.258859 BFGS: 25 15:37:26 -391.737480 0.385279 BFGS: 26 15:37:26 -391.748180 0.388025 BFGS: 27 15:37:26 -391.757719 0.301219 BFGS: 28 15:37:27 -391.762623 0.204799 BFGS: 29 15:37:27 -391.769937 0.143106 BFGS: 30 15:37:28 -391.775582 0.249839 BFGS: 31 15:37:28 -391.781393 0.264632 BFGS: 32 15:37:29 -391.788310 0.176752 BFGS: 33 15:37:30 -391.795826 0.162395 BFGS: 34 15:37:30 -391.802839 0.279513 BFGS: 35 15:37:31 -391.809604 0.318487 BFGS: 36 15:37:31 -391.817080 0.217634 BFGS: 37 15:37:32 -391.825585 0.160788 BFGS: 38 15:37:32 -391.833697 0.269119 BFGS: 39 15:37:33 -391.839493 0.376452 BFGS: 40 15:37:34 -391.843886 0.315284 BFGS: 41 15:37:35 -391.848198 0.235764 BFGS: 42 15:37:35 -391.853701 0.132971 BFGS: 43 15:37:35 -391.860180 0.335347 BFGS: 44 15:37:36 -391.867528 0.499476 BFGS: 45 15:37:37 -391.875471 0.365735 BFGS: 46 15:37:37 -391.882753 0.179325 BFGS: 47 15:37:38 -391.891721 0.295748 BFGS: 48 15:37:39 -391.904212 0.459689 BFGS: 49 15:37:39 -391.922673 0.563326 BFGS: 50 15:37:40 -391.941591 0.361868 BFGS: 51 15:37:40 -391.958702 0.214982 BFGS: 52 15:37:40 -391.969930 0.240743 BFGS: 53 15:37:41 -391.979669 0.170831 BFGS: 54 15:37:41 -391.983400 0.224333 BFGS: 55 15:37:41 -391.990043 0.122374 BFGS: 56 15:37:41 -391.994636 0.222949 BFGS: 57 15:37:42 -391.997597 0.111105 BFGS: 58 15:37:42 -392.000541 0.255339 BFGS: 59 15:37:43 -392.003239 0.114225 BFGS: 60 15:37:44 -392.005482 0.096934 BFGS: 61 15:37:44 -392.007400 0.097664 BFGS: 62 15:37:45 -392.009061 0.105211 BFGS: 63 15:37:46 -392.011918 0.110746 BFGS: 64 15:37:46 -392.015630 0.108842 BFGS: 65 15:37:47 -392.020597 0.142390 BFGS: 66 15:37:47 -392.018244 0.208748 BFGS: 67 15:37:48 -392.025763 0.268971 BFGS: 68 15:37:48 -392.033492 0.234466 BFGS: 69 15:37:49 -392.033715 1.928640 BFGS: 70 15:37:50 -392.041771 0.318497 BFGS: 71 15:37:50 -392.050337 0.121080 BFGS: 72 15:37:51 -392.054423 0.356803 BFGS: 73 15:37:51 -392.059180 1.180814 BFGS: 74 15:37:52 -392.063718 0.526783 BFGS: 75 15:37:52 -392.070208 0.292176 BFGS: 76 15:37:52 -392.078815 0.375025 BFGS: 77 15:37:53 -392.087684 0.356500 BFGS: 78 15:37:53 -392.096478 0.252882 BFGS: 79 15:37:54 -392.137361 0.841426 BFGS: 80 15:37:54 -392.148800 1.606042 BFGS: 81 15:37:55 -392.140377 1.693482 BFGS: 82 15:37:55 -392.178719 0.551248 BFGS: 83 15:37:56 -392.201152 3.148333 BFGS: 84 15:37:56 -392.239356 1.786458 BFGS: 85 15:37:56 -392.297021 1.571803 BFGS: 86 15:37:57 -392.323870 0.449929 BFGS: 87 15:37:57 -392.343042 0.704847 BFGS: 88 15:37:57 -392.356886 0.302215 BFGS: 89 15:37:58 -392.369183 0.591594 BFGS: 90 15:37:58 -392.382819 0.527364 BFGS: 91 15:37:59 -392.402145 0.516383 BFGS: 92 15:38:00 -392.415559 0.484365 BFGS: 93 15:38:00 -392.427356 0.548037 BFGS: 94 15:38:01 -392.438111 0.584600 BFGS: 95 15:38:01 -392.448460 0.558547 BFGS: 96 15:38:02 -392.458428 0.275546 BFGS: 97 15:38:02 -392.466292 0.145796 BFGS: 98 15:38:03 -392.469400 0.137863 BFGS: 99 15:38:03 -392.473188 0.110833 BFGS: 100 15:38:03 -392.477459 0.154652 BFGS: 101 15:38:04 -392.481856 0.255043 BFGS: 102 15:38:04 -392.484780 0.240608 BFGS: 103 15:38:05 -392.487306 0.191086 BFGS: 104 15:38:06 -392.490684 0.116664 BFGS: 105 15:38:06 -392.496265 0.176599 BFGS: 106 15:38:07 -392.504523 0.248428 BFGS: 107 15:38:07 -392.514934 0.243022 BFGS: 108 15:38:08 -392.526051 0.495684 BFGS: 109 15:38:08 -392.541697 0.477317 BFGS: 110 15:38:08 -392.559186 0.571250 BFGS: 111 15:38:09 -392.578446 0.669156 BFGS: 112 15:38:09 -392.598079 0.744138 BFGS: 113 15:38:10 -392.617607 0.825053 BFGS: 114 15:38:10 -392.641354 0.880141 BFGS: 115 15:38:11 -392.663553 0.866846 BFGS: 116 15:38:11 -392.691540 0.612666 BFGS: 117 15:38:12 -392.691176 1.084012 BFGS: 118 15:38:12 -392.720580 0.719458 BFGS: 119 15:38:13 -392.737416 0.690315 BFGS: 120 15:38:13 -392.769515 0.383721 BFGS: 121 15:38:13 -392.802625 0.422493 BFGS: 122 15:38:14 -392.831287 0.715159 BFGS: 123 15:38:14 -392.861675 0.372224 BFGS: 124 15:38:15 -392.884872 0.918122 BFGS: 125 15:38:15 -392.906784 0.410409 BFGS: 126 15:38:16 -392.924201 0.239999 BFGS: 127 15:38:16 -392.920029 1.843515 BFGS: 128 15:38:17 -392.953385 0.548980 BFGS: 129 15:38:17 -392.968495 0.680653 BFGS: 130 15:38:17 -392.978547 0.289631 BFGS: 131 15:38:18 -392.989217 0.221732 BFGS: 132 15:38:18 -393.000092 0.212693 BFGS: 133 15:38:18 -393.015045 0.326797 BFGS: 134 15:38:19 -393.030276 0.288570 BFGS: 135 15:38:19 -393.045402 0.285095 BFGS: 136 15:38:20 -393.059825 0.335334 BFGS: 137 15:38:20 -393.073016 0.472375 BFGS: 138 15:38:21 -393.086056 0.584653 BFGS: 139 15:38:21 -393.098603 0.573164 BFGS: 140 15:38:22 -393.111799 0.442948 BFGS: 141 15:38:22 -393.119304 0.164240 BFGS: 142 15:38:22 -393.123837 0.293892 BFGS: 143 15:38:23 -393.128034 0.292656 BFGS: 144 15:38:23 -393.135508 0.301608 BFGS: 145 15:38:24 -393.142052 0.334343 BFGS: 146 15:38:24 -393.148759 0.225013 BFGS: 147 15:38:25 -393.157660 0.167025 BFGS: 148 15:38:25 -393.167886 0.156323 BFGS: 149 15:38:26 -393.172090 0.234636 BFGS: 150 15:38:26 -393.175842 0.124239 BFGS: 151 15:38:27 -393.178563 0.346571 BFGS: 152 15:38:27 -393.180975 0.095169 BFGS: 153 15:38:28 -393.183131 0.188006 BFGS: 154 15:38:28 -393.185297 0.136150 BFGS: 155 15:38:28 -393.187142 0.090314 BFGS: 156 15:38:29 -393.189007 0.060279 BFGS: 157 15:38:29 -393.191086 0.056471 BFGS: 158 15:38:29 -393.193598 0.082898 BFGS: 159 15:38:30 -393.196609 0.108379 BFGS: 160 15:38:30 -393.200264 0.137991 BFGS: 161 15:38:31 -393.204020 0.139362 BFGS: 162 15:38:31 -393.212447 0.233202 BFGS: 163 15:38:32 -393.216900 0.199663 BFGS: 164 15:38:32 -393.221481 0.127825 BFGS: 165 15:38:33 -393.220964 0.147471 BFGS: 166 15:38:33 -393.223005 0.130172 BFGS: 167 15:38:34 -393.224115 0.116658 BFGS: 168 15:38:34 -393.225105 0.160380 BFGS: 169 15:38:34 -393.225971 0.113549 BFGS: 170 15:38:35 -393.230796 0.098488 BFGS: 171 15:38:35 -393.227777 0.155069 BFGS: 172 15:38:36 -393.232731 0.155865 BFGS: 173 15:38:36 -393.233817 0.129248 BFGS: 174 15:38:36 -393.235210 0.138293 BFGS: 175 15:38:37 -393.236248 0.065664 BFGS: 176 15:38:37 -393.237710 0.071622 BFGS: 177 15:38:38 -393.235793 0.131701 BFGS: 178 15:38:38 -393.242807 0.258278 BFGS: 179 15:38:38 -393.241141 0.251929 BFGS: 180 15:38:39 -393.247073 0.202901 BFGS: 181 15:38:39 -393.244565 0.094444 BFGS: 182 15:38:40 -393.245526 0.055652 BFGS: 183 15:38:40 -393.250919 0.054128 BFGS: 184 15:38:40 -393.252188 0.065803 BFGS: 185 15:38:41 -393.253752 0.079014 BFGS: 186 15:38:41 -393.255176 0.120324 BFGS: 187 15:38:41 -393.256733 0.147627 BFGS: 188 15:38:42 -393.254407 0.178714 BFGS: 189 15:38:42 -393.259728 0.200418 BFGS: 190 15:38:42 -393.257927 0.206283 BFGS: 191 15:38:43 -393.263124 0.215679 BFGS: 192 15:38:43 -393.261137 0.209606 BFGS: 193 15:38:44 -393.266961 0.214219 BFGS: 194 15:38:44 -393.265301 0.200752 BFGS: 195 15:38:44 -393.270577 0.197514 BFGS: 196 15:38:45 -393.270080 0.180508 BFGS: 197 15:38:45 -393.272564 0.177874 BFGS: 198 15:38:45 -393.275203 0.173945 BFGS: 199 15:38:46 -393.277893 0.166596 BFGS: 200 15:38:46 -393.280600 0.156842 BFGS: 201 15:38:47 -393.283262 0.144233 BFGS: 202 15:38:47 -393.285835 0.129363 BFGS: 203 15:38:47 -393.284006 0.112842 BFGS: 204 15:38:48 -393.283630 0.094454 BFGS: 205 15:38:48 -393.285744 0.079303 BFGS: 206 15:38:49 -393.287660 0.073139 BFGS: 207 15:38:49 -393.289507 0.074051 BFGS: 208 15:38:49 -393.291195 0.083164 BFGS: 209 15:38:50 -393.296964 0.086208 BFGS: 210 15:38:50 -393.298548 0.111574 BFGS: 211 15:38:51 -393.296609 0.110533 BFGS: 212 15:38:51 -393.301668 0.126669 BFGS: 213 15:38:51 -393.303361 0.122250 BFGS: 214 15:38:52 -393.304891 0.120504 BFGS: 215 15:38:52 -393.306739 0.111701 BFGS: 216 15:38:53 -393.308563 0.089976 BFGS: 217 15:38:53 -393.310773 0.081773 BFGS: 218 15:38:54 -393.313068 0.126728 BFGS: 219 15:38:54 -393.318605 0.167651 BFGS: 220 15:38:54 -393.325191 0.193653 BFGS: 221 15:38:55 -393.327797 0.216741 BFGS: 222 15:38:55 -393.330442 0.232294 BFGS: 223 15:38:55 -393.333172 0.236632 BFGS: 224 15:38:56 -393.335897 0.236185 BFGS: 225 15:38:56 -393.338615 0.228441 BFGS: 226 15:38:57 -393.341298 0.218006 BFGS: 227 15:38:57 -393.343930 0.202856 BFGS: 228 15:38:58 -393.346500 0.186430 BFGS: 229 15:38:58 -393.348986 0.166675 BFGS: 230 15:38:59 -393.351390 0.150322 BFGS: 231 15:38:59 -393.353671 0.133660 BFGS: 232 15:38:59 -393.355808 0.125413 BFGS: 233 15:39:00 -393.357803 0.116374 BFGS: 234 15:39:00 -393.359617 0.103348 BFGS: 235 15:39:01 -393.361245 0.090312 BFGS: 236 15:39:01 -393.362476 0.075112 BFGS: 237 15:39:02 -393.363671 0.064604 BFGS: 238 15:39:02 -393.364473 0.071300 BFGS: 239 15:39:02 -393.365071 0.037897 BFGS: 240 15:39:03 -393.365333 0.085427 BFGS: 241 15:39:03 -393.365877 0.041815 BFGS: 242 15:39:04 -393.366368 0.052060 BFGS: 243 15:39:04 -393.366746 0.097704 BFGS: 244 15:39:05 -393.367409 0.110239 BFGS: 245 15:39:05 -393.368766 0.213733 BFGS: 246 15:39:06 -393.370700 0.251176 BFGS: 247 15:39:06 -393.372046 0.243094 BFGS: 248 15:39:06 -393.373306 0.221731 BFGS: 249 15:39:07 -393.374601 0.191493 BFGS: 250 15:39:07 -393.375948 0.158325 BFGS: 251 15:39:07 -393.377363 0.122813 BFGS: 252 15:39:08 -393.378843 0.086759 BFGS: 253 15:39:08 -393.380382 0.061372 BFGS: 254 15:39:09 -393.381964 0.081783 BFGS: 255 15:39:10 -393.383576 0.112756 BFGS: 256 15:39:10 -393.385195 0.140772 BFGS: 257 15:39:10 -393.386794 0.162696 BFGS: 258 15:39:11 -393.388371 0.176065 BFGS: 259 15:39:11 -393.389946 0.172075 BFGS: 260 15:39:12 -393.391450 0.158356 BFGS: 261 15:39:12 -393.392498 0.096437 BFGS: 262 15:39:13 -393.393431 0.044635 BFGS: 263 15:39:14 -393.393940 0.060676 BFGS: 264 15:39:14 -393.394254 0.052119 BFGS: 265 15:39:14 -393.394641 0.049212 BFGS: 266 15:39:15 -393.395335 0.067850 BFGS: 267 15:39:15 -393.396073 0.064647 BFGS: 268 15:39:15 -393.396878 0.069586 BFGS: 269 15:39:16 -393.397787 0.085313 BFGS: 270 15:39:16 -393.398825 0.098278 BFGS: 271 15:39:16 -393.399996 0.107411 BFGS: 272 15:39:17 -393.401310 0.112772 BFGS: 273 15:39:17 -393.402768 0.113716 BFGS: 274 15:39:17 -393.404378 0.109812 BFGS: 275 15:39:18 -393.406146 0.100698 BFGS: 276 15:39:18 -393.408058 0.088164 BFGS: 277 15:39:19 -393.413774 0.107091 BFGS: 278 15:39:19 -393.415891 0.121822 BFGS: 279 15:39:19 -393.418179 0.133290 BFGS: 280 15:39:20 -393.420540 0.139131 BFGS: 281 15:39:21 -393.422897 0.140758 BFGS: 282 15:39:21 -393.425162 0.137904 BFGS: 283 15:39:22 -393.427306 0.132023 BFGS: 284 15:39:22 -393.429303 0.123239 BFGS: 285 15:39:22 -393.431113 0.112229 BFGS: 286 15:39:23 -393.432734 0.104908 BFGS: 287 15:39:23 -393.434157 0.101102 BFGS: 288 15:39:24 -393.435388 0.097014 BFGS: 289 15:39:24 -393.436425 0.088509 BFGS: 290 15:39:25 -393.437274 0.079653 BFGS: 291 15:39:25 -393.437938 0.066409 BFGS: 292 15:39:26 -393.440182 0.053014 BFGS: 293 15:39:26 -393.440477 0.035152 BFGS: 294 15:39:26 -393.440654 0.026841 BFGS: 295 15:39:27 -393.440786 0.027540 BFGS: 296 15:39:27 -393.441013 0.026041 BFGS: 297 15:39:28 -393.441186 0.061795 BFGS: 298 15:39:28 -393.441396 0.029966 BFGS: 299 15:39:28 -393.441729 0.037481 BFGS: 300 15:39:29 -393.442427 0.050133 BFGS: 301 15:39:29 -393.443589 0.058314 BFGS: 302 15:39:30 -393.444532 0.096041 BFGS: 303 15:39:30 -393.445390 0.110841 BFGS: 304 15:39:31 -393.446244 0.128899 BFGS: 305 15:39:32 -393.447104 0.141622 BFGS: 306 15:39:32 -393.447965 0.154365 BFGS: 307 15:39:33 -393.448816 0.164310 BFGS: 308 15:39:33 -393.449644 0.172791 BFGS: 309 15:39:34 -393.450435 0.178423 BFGS: 310 15:39:34 -393.451175 0.181272 BFGS: 311 15:39:35 -393.451851 0.179858 BFGS: 312 15:39:35 -393.452454 0.172634 BFGS: 313 15:39:36 -393.452988 0.154337 BFGS: 314 15:39:36 -393.453413 0.118615 BFGS: 315 15:39:36 -393.453860 0.069403 BFGS: 316 15:39:37 -393.454447 0.031920 BFGS: 317 15:39:37 -393.454815 0.066508 BFGS: 318 15:39:37 -393.455059 0.068992 BFGS: 319 15:39:38 -393.455291 0.075662 BFGS: 320 15:39:38 -393.455619 0.041270 BFGS: 321 15:39:39 -393.455972 0.060411 BFGS: 322 15:39:39 -393.456352 0.040379 BFGS: 323 15:39:40 -393.456820 0.049416 BFGS: 324 15:39:40 -393.457350 0.064685 BFGS: 325 15:39:41 -393.457985 0.072657 BFGS: 326 15:39:42 -393.458694 0.087657 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BFGS: 677 15:42:01 -393.534411 0.054320 BFGS: 678 15:42:01 -393.539429 0.161723 BFGS: 679 15:42:01 -393.539630 0.156453 BFGS: 680 15:42:02 -393.534188 0.053426 BFGS: 681 15:42:02 -393.534401 0.054426 BFGS: 682 15:42:02 -393.539463 0.161153 BFGS: 683 15:42:03 -393.539664 0.154904 BFGS: 684 15:42:03 -393.534179 0.053580 BFGS: 685 15:42:03 -393.534391 0.054539 BFGS: 686 15:42:04 -393.539497 0.160552 BFGS: 687 15:42:04 -393.539699 0.152082 BFGS: 688 15:42:04 -393.534169 0.053761 BFGS: 689 15:42:05 -393.534382 0.054669 BFGS: 690 15:42:05 -393.539530 0.159941 BFGS: 691 15:42:06 -393.534561 0.055177 BFGS: 692 15:42:06 -393.539651 0.156672 BFGS: 693 15:42:06 -393.539700 0.154030 BFGS: 694 15:42:07 -393.534198 0.054293 BFGS: 695 15:42:07 -393.534396 0.055018 BFGS: 696 15:42:07 -393.539523 0.160097 BFGS: 697 15:42:08 -393.534569 0.055431 BFGS: 698 15:42:08 -393.539676 0.156110 BFGS: 699 15:42:08 -393.539733 0.152216 BFGS: 700 15:42:09 -393.534192 0.054827 BFGS: 701 15:42:09 -393.534386 0.055401 BFGS: 702 15:42:09 -393.539548 0.159663 BFGS: 703 15:42:10 -393.534555 0.055710 BFGS: 704 15:42:10 -393.539732 0.153778 BFGS: 705 15:42:11 -393.534599 0.055816 BFGS: 706 15:42:11 -393.534622 0.055890 BFGS: 707 15:42:12 -393.539408 0.161543 BFGS: 708 15:42:12 -393.539634 0.157898 BFGS: 709 15:42:12 -393.534411 0.055303 BFGS: 710 15:42:13 -393.534588 0.056001 BFGS: 711 15:42:13 -393.539473 0.160554 BFGS: 712 15:42:14 -393.539698 0.156323 BFGS: 713 15:42:14 -393.534375 0.055405 BFGS: 714 15:42:14 -393.534557 0.056102 BFGS: 715 15:42:15 -393.539536 0.159557 BFGS: 716 15:42:15 -393.539760 0.154165 BFGS: 717 15:42:16 -393.534343 0.055538 BFGS: 718 15:42:16 -393.534528 0.056226 BFGS: 719 15:42:17 -393.539597 0.158509 BFGS: 720 15:42:17 -393.539820 0.149199 BFGS: 721 15:42:17 -393.534313 0.055742 BFGS: 722 15:42:18 -393.534503 0.056392 BFGS: 723 15:42:18 -393.539654 0.157439 BFGS: 724 15:42:19 -393.534659 0.056990 BFGS: 725 15:42:19 -393.539795 0.153326 BFGS: 726 15:42:19 -393.539845 0.146629 BFGS: 727 15:42:20 -393.534313 0.056685 BFGS: 728 15:42:20 -393.534496 0.056965 BFGS: 729 15:42:21 -393.539664 0.157276 BFGS: 730 15:42:21 -393.534648 0.057369 BFGS: 731 15:42:21 -393.539848 0.150153 BFGS: 732 15:42:22 -393.534687 0.057552 BFGS: 733 15:42:22 -393.534707 0.057662 BFGS: 734 15:42:22 -393.539571 0.157968 BFGS: 735 15:42:23 -393.539777 0.154468 BFGS: 736 15:42:23 -393.534521 0.056830 BFGS: 737 15:42:24 -393.534669 0.057721 BFGS: 738 15:42:24 -393.539643 0.156826 BFGS: 739 15:42:24 -393.539845 0.152039 BFGS: 740 15:42:25 -393.534482 0.056905 BFGS: 741 15:42:25 -393.534634 0.057795 BFGS: 742 15:42:25 -393.539710 0.155632 BFGS: 743 15:42:26 -393.534754 0.058556 BFGS: 744 15:42:26 -393.539840 0.152473 BFGS: 745 15:42:27 -393.539885 0.149997 BFGS: 746 15:42:27 -393.534464 0.057533 BFGS: 747 15:42:28 -393.534612 0.058233 BFGS: 748 15:42:28 -393.539740 0.154939 BFGS: 749 15:42:29 -393.534730 0.058864 BFGS: 750 15:42:29 -393.539903 0.149137 BFGS: 751 15:42:30 -393.534759 0.059083 BFGS: 752 15:42:30 -393.534774 0.059213 BFGS: 753 15:42:31 -393.539657 0.155216 BFGS: 754 15:42:31 -393.539850 0.152039 BFGS: 755 15:42:31 -393.534615 0.058047 BFGS: 756 15:42:32 -393.534729 0.059082 BFGS: 757 15:42:32 -393.539735 0.154075 BFGS: 758 15:42:32 -393.539918 0.148789 BFGS: 759 15:42:33 -393.534569 0.057976 BFGS: 760 15:42:33 -393.534691 0.059027 BFGS: 761 15:42:33 -393.539801 0.152836 BFGS: 762 15:42:34 -393.534781 0.059848 BFGS: 763 15:42:34 -393.539921 0.148833 BFGS: 764 15:42:35 -393.534800 0.060066 BFGS: 765 15:42:35 -393.539947 0.145950 BFGS: 766 15:42:35 -393.539955 0.143308 BFGS: 767 15:42:36 -393.534594 0.061458 BFGS: 768 15:42:36 -393.534665 0.060792 BFGS: 769 15:42:36 -393.539469 0.159251 BFGS: 770 15:42:37 -393.534775 0.060679 BFGS: 771 15:42:37 -393.539899 0.150102 BFGS: 772 15:42:37 -393.534799 0.060767 BFGS: 773 15:42:38 -393.534814 0.060820 BFGS: 774 15:42:38 -393.539052 0.158794 BFGS: 775 15:42:38 -393.539822 0.152006 BFGS: 776 15:42:39 -393.534252 0.059077 BFGS: 777 15:42:39 -393.534685 0.061019 BFGS: 778 15:42:39 -393.539685 0.153679 BFGS: 779 15:42:40 -393.534773 0.061291 BFGS: 780 15:42:40 -393.539971 0.143620 BFGS: 781 15:42:41 -393.534792 0.061294 BFGS: 782 15:42:41 -393.534804 0.061328 BFGS: 783 15:42:42 -393.539236 0.156210 BFGS: 784 15:42:42 -393.539582 0.150053 BFGS: 785 15:42:42 -393.534618 0.060926 BFGS: 786 15:42:43 -393.534711 0.061344 BFGS: 787 15:42:43 -393.539440 0.153119 BFGS: 788 15:42:43 -393.534785 0.061694 BFGS: 789 15:42:44 -393.534830 0.061897 BFGS: 790 15:42:44 -393.539172 0.156197 BFGS: 791 15:42:45 -393.539543 0.150948 BFGS: 792 15:42:45 -393.534646 0.061140 BFGS: 793 15:42:45 -393.534732 0.061614 BFGS: 794 15:42:46 -393.539393 0.153541 BFGS: 795 15:42:46 -393.534803 0.061954 BFGS: 796 15:42:46 -393.539959 0.146144 BFGS: 797 15:42:47 -393.534496 0.061221 BFGS: 798 15:42:47 -393.534827 0.062184 BFGS: 799 15:42:47 -393.539515 0.153464 BFGS: 800 15:42:48 -393.539881 0.149285 BFGS: 801 15:42:48 -393.534317 0.059392 BFGS: 802 15:42:48 -393.534409 0.060575 BFGS: 803 15:42:49 -393.539724 0.151390 BFGS: 804 15:42:49 -393.534805 0.062190 BFGS: 805 15:42:49 -393.539963 0.145553 BFGS: 806 15:42:50 -393.534820 0.062252 BFGS: 807 15:42:50 -393.534830 0.062302 BFGS: 808 15:42:51 -393.539232 0.155206 BFGS: 809 15:42:51 -393.539888 0.149406 BFGS: 810 15:42:51 -393.534652 0.061169 BFGS: 811 15:42:52 -393.534739 0.061725 BFGS: 812 15:42:52 -393.539419 0.153034 BFGS: 813 15:42:52 -393.534812 0.062124 BFGS: 814 15:42:53 -393.539640 0.146964 BFGS: 815 15:42:53 -393.534826 0.062195 BFGS: 816 15:42:53 -393.534515 0.061575 BFGS: 817 15:42:53 -393.539535 0.153985 BFGS: 818 15:42:54 -393.539877 0.149630 BFGS: 819 15:42:54 -393.534331 0.060051 BFGS: 820 15:42:54 -393.534423 0.060929 BFGS: 821 15:42:55 -393.539720 0.152082 BFGS: 822 15:42:55 -393.534822 0.062283 BFGS: 823 15:42:55 -393.539944 0.147305 BFGS: 824 15:42:56 -393.534838 0.062371 BFGS: 825 15:42:56 -393.539986 0.143445 BFGS: 826 15:42:56 -393.534842 0.062378 BFGS: 827 15:42:57 -393.539995 0.140193 BFGS: 828 15:42:57 -393.539998 0.135777 BFGS: 829 15:42:58 -393.534487 0.062083 BFGS: 830 15:42:58 -393.534498 0.061579 BFGS: 831 15:42:58 -393.539508 0.159103 BFGS: 832 15:42:59 -393.539938 0.148013 BFGS: 833 15:42:59 -393.534299 0.062352 BFGS: 834 15:42:59 -393.534390 0.061330 BFGS: 835 15:43:00 -393.539765 0.153663 BFGS: 836 15:43:00 -393.534463 0.061097 BFGS: 837 15:43:00 -393.534828 0.061910 BFGS: 838 15:43:01 -393.539452 0.155335 BFGS: 839 15:43:01 -393.539922 0.148444 BFGS: 840 15:43:01 -393.534297 0.060019 BFGS: 841 15:43:02 -393.534391 0.060669 BFGS: 842 15:43:02 -393.539743 0.151668 BFGS: 843 15:43:02 -393.534467 0.061352 BFGS: 844 15:43:03 -393.534835 0.062497 BFGS: 845 15:43:03 -393.539433 0.154238 BFGS: 846 15:43:03 -393.539914 0.148363 BFGS: 847 15:43:04 -393.534301 0.059885 BFGS: 848 15:43:04 -393.534394 0.060813 BFGS: 849 15:43:04 -393.539733 0.151289 BFGS: 850 15:43:05 -393.534471 0.061597 BFGS: 851 15:43:05 -393.534841 0.062765 BFGS: 852 15:43:05 -393.539422 0.154249 BFGS: 853 15:43:06 -393.539907 0.148522 BFGS: 854 15:43:06 -393.534305 0.060137 BFGS: 855 15:43:07 -393.534398 0.061038 BFGS: 856 15:43:07 -393.539724 0.151418 BFGS: 857 15:43:07 -393.534477 0.061772 BFGS: 858 15:43:07 -393.534848 0.062907 BFGS: 859 15:43:08 -393.539408 0.154555 BFGS: 860 15:43:08 -393.539898 0.148832 BFGS: 861 15:43:08 -393.534310 0.060420 BFGS: 862 15:43:09 -393.534404 0.061246 BFGS: 863 15:43:09 -393.539712 0.151705 BFGS: 864 15:43:09 -393.534484 0.061914 BFGS: 865 15:43:10 -393.534856 0.063007 BFGS: 866 15:43:10 -393.539390 0.154954 BFGS: 867 15:43:10 -393.539885 0.149244 BFGS: 868 15:43:11 -393.534316 0.060684 BFGS: 869 15:43:11 -393.534410 0.061434 BFGS: 870 15:43:12 -393.539695 0.152070 BFGS: 871 15:43:12 -393.534814 0.062712 BFGS: 872 15:43:12 -393.534866 0.063050 BFGS: 873 15:43:13 -393.539367 0.155362 BFGS: 874 15:43:13 -393.539869 0.149728 BFGS: 875 15:43:13 -393.534322 0.060838 BFGS: 876 15:43:14 -393.534418 0.061554 BFGS: 877 15:43:14 -393.539675 0.152470 BFGS: 878 15:43:15 -393.534824 0.062794 BFGS: 879 15:43:15 -393.540010 0.143488 BFGS: 880 15:43:15 -393.534841 0.062835 BFGS: 881 15:43:16 -393.534852 0.062875 BFGS: 882 15:43:16 -393.539448 0.155593 BFGS: 883 15:43:17 -393.539908 0.149235 BFGS: 884 15:43:17 -393.534308 0.061182 BFGS: 885 15:43:17 -393.534411 0.061718 BFGS: 886 15:43:18 -393.539714 0.152595 BFGS: 887 15:43:18 -393.534824 0.062805 BFGS: 888 15:43:18 -393.540019 0.143133 BFGS: 889 15:43:19 -393.534843 0.062821 BFGS: 890 15:43:19 -393.534856 0.062844 BFGS: 891 15:43:19 -393.539484 0.155961 BFGS: 892 15:43:20 -393.539911 0.149571 BFGS: 893 15:43:20 -393.534315 0.061495 BFGS: 894 15:43:21 -393.534422 0.061898 BFGS: 895 15:43:21 -393.539717 0.153100 BFGS: 896 15:43:22 -393.534841 0.062848 BFGS: 897 15:43:22 -393.539998 0.146205 BFGS: 898 15:43:22 -393.534863 0.062828 BFGS: 899 15:43:23 -393.534876 0.062831 BFGS: 900 15:43:23 -393.539483 0.156743 BFGS: 901 15:43:23 -393.539883 0.150666 BFGS: 902 15:43:24 -393.534337 0.061795 BFGS: 903 15:43:24 -393.534449 0.062060 BFGS: 904 15:43:24 -393.539689 0.154090 BFGS: 905 15:43:24 -393.534874 0.062862 BFGS: 906 15:43:25 -393.539950 0.148901 BFGS: 907 15:43:25 -393.540028 0.143994 BFGS: 908 15:43:25 -393.534249 0.061687 BFGS: 909 15:43:26 -393.534372 0.061983 BFGS: 910 15:43:26 -393.539830 0.151860 BFGS: 911 15:43:26 -393.534805 0.062799 BFGS: 912 15:43:27 -393.534874 0.062824 BFGS: 913 15:43:27 -393.539501 0.156737 BFGS: 914 15:43:28 -393.539905 0.150408 BFGS: 915 15:43:28 -393.534329 0.061807 BFGS: 916 15:43:29 -393.534445 0.062057 BFGS: 917 15:43:29 -393.539707 0.154074 BFGS: 918 15:43:30 -393.534876 0.062836 BFGS: 919 15:43:30 -393.539969 0.148608 BFGS: 920 15:43:30 -393.540048 0.141231 BFGS: 921 15:43:31 -393.534243 0.061824 BFGS: 922 15:43:31 -393.534371 0.062044 BFGS: 923 15:43:31 -393.539843 0.151915 BFGS: 924 15:43:32 -393.534486 0.062129 BFGS: 925 15:43:32 -393.534880 0.062831 BFGS: 926 15:43:32 -393.539509 0.157001 BFGS: 927 15:43:33 -393.539916 0.150451 BFGS: 928 15:43:33 -393.534331 0.061935 BFGS: 929 15:43:33 -393.534451 0.062115 BFGS: 930 15:43:34 -393.539713 0.154262 BFGS: 931 15:43:34 -393.534885 0.062839 BFGS: 932 15:43:34 -393.539977 0.148717 BFGS: 933 15:43:35 -393.540057 0.141470 BFGS: 934 15:43:35 -393.534246 0.061951 BFGS: 935 15:43:36 -393.534377 0.062119 BFGS: 936 15:43:36 -393.539849 0.152081 BFGS: 937 15:43:36 -393.534495 0.062159 BFGS: 938 15:43:37 -393.534891 0.062832 BFGS: 939 15:43:37 -393.539509 0.157268 BFGS: 940 15:43:37 -393.539919 0.150662 BFGS: 941 15:43:38 -393.534338 0.062011 BFGS: 942 15:43:38 -393.534461 0.062156 BFGS: 943 15:43:39 -393.539714 0.154507 BFGS: 944 15:43:39 -393.534899 0.062846 BFGS: 945 15:43:39 -393.539979 0.149055 BFGS: 946 15:43:40 -393.540060 0.143489 BFGS: 947 15:43:40 -393.534253 0.061989 BFGS: 948 15:43:40 -393.534386 0.062160 BFGS: 949 15:43:41 -393.539850 0.152290 BFGS: 950 15:43:41 -393.534508 0.062185 BFGS: 951 15:43:41 -393.534906 0.062842 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0.062350 BFGS: 1002 15:44:00 -393.534472 0.062416 BFGS: 1003 15:44:00 -393.539888 0.153245 BFGS: 1004 15:44:01 -393.534934 0.062963 BFGS: 1005 15:44:01 -393.540080 0.147558 BFGS: 1006 15:44:01 -393.534969 0.062855 BFGS: 1007 15:44:02 -393.540123 0.143634 BFGS: 1008 15:44:02 -393.534659 0.062145 BFGS: 1009 15:44:03 -393.539813 0.141052 BFGS: 1010 15:44:03 -393.539818 0.138494 BFGS: 1011 15:44:03 -393.535077 0.066338 BFGS: 1012 15:44:04 -393.535104 0.066043 BFGS: 1013 15:44:04 -393.535218 0.065635 BFGS: 1014 15:44:04 -393.535314 0.065546 BFGS: 1015 15:44:05 -393.535394 0.065896 BFGS: 1016 15:44:05 -393.535460 0.066541 BFGS: 1017 15:44:05 -393.535515 0.067475 BFGS: 1018 15:44:06 -393.535561 0.068664 BFGS: 1019 15:44:06 -393.535601 0.070099 BFGS: 1020 15:44:07 -393.535638 0.071554 BFGS: 1021 15:44:07 -393.535674 0.073489 BFGS: 1022 15:44:07 -393.535713 0.075424 BFGS: 1023 15:44:08 -393.535758 0.077413 BFGS: 1024 15:44:08 -393.535809 0.079329 BFGS: 1025 15:44:09 -393.535868 0.081163 BFGS: 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-393.551420 0.130245 BFGS: 5796 16:12:38 -393.546254 0.082020 BFGS: 5797 16:12:39 -393.546292 0.081834 BFGS: 5798 16:12:39 -393.550613 0.152834 BFGS: 5799 16:12:40 -393.551419 0.141013 BFGS: 5800 16:12:40 -393.545829 0.083856 BFGS: 5801 16:12:40 -393.546099 0.082705 BFGS: 5802 16:12:41 -393.550968 0.148162 BFGS: 5803 16:12:42 -393.551416 0.130854 BFGS: 5804 16:12:42 -393.545641 0.084697 BFGS: 5805 16:12:42 -393.545928 0.083549 BFGS: 5806 16:12:42 -393.551267 0.143735 BFGS: 5807 16:12:43 -393.546191 0.082326 BFGS: 5808 16:12:43 -393.551420 0.130249 BFGS: 5809 16:12:43 -393.546254 0.082020 BFGS: 5810 16:12:44 -393.546292 0.081833 BFGS: 5811 16:12:44 -393.550613 0.152832 BFGS: 5812 16:12:44 -393.551419 0.141012 BFGS: 5813 16:12:45 -393.545829 0.083856 BFGS: 5814 16:12:45 -393.546099 0.082705 BFGS: 5815 16:12:45 -393.550968 0.148161 BFGS: 5816 16:12:46 -393.551416 0.130858 BFGS: 5817 16:12:46 -393.545641 0.084696 BFGS: 5818 16:12:46 -393.545928 0.083549 BFGS: 5819 16:12:47 -393.551267 0.143734 BFGS: 5820 16:12:47 -393.546191 0.082325 BFGS: 5821 16:12:47 -393.551420 0.130253 BFGS: 5822 16:12:48 -393.546254 0.082020 BFGS: 5823 16:12:48 -393.546292 0.081833 BFGS: 5824 16:12:48 -393.550614 0.152829 BFGS: 5825 16:12:49 -393.551419 0.141012 BFGS: 5826 16:12:49 -393.545829 0.083855 BFGS: 5827 16:12:49 -393.546099 0.082704 BFGS: 5828 16:12:50 -393.550968 0.148159 BFGS: 5829 16:12:50 -393.551416 0.130862 BFGS: 5830 16:12:51 -393.545641 0.084695 BFGS: 5831 16:12:51 -393.545928 0.083548 BFGS: 5832 16:12:51 -393.551267 0.143733 BFGS: 5833 16:12:52 -393.546191 0.082325 BFGS: 5834 16:12:52 -393.551420 0.130257 BFGS: 5835 16:12:53 -393.546254 0.082020 BFGS: 5836 16:12:53 -393.546292 0.081833 BFGS: 5837 16:12:53 -393.550614 0.152826 BFGS: 5838 16:12:53 -393.551419 0.141011 BFGS: 5839 16:12:54 -393.545829 0.083855 BFGS: 5840 16:12:54 -393.546099 0.082704 BFGS: 5841 16:12:55 -393.550968 0.148158 BFGS: 5842 16:12:55 -393.551416 0.130866 BFGS: 5843 16:12:55 -393.545642 0.084695 BFGS: 5844 16:12:56 -393.545928 0.083548 BFGS: 5845 16:12:56 -393.551267 0.143732 BFGS: 5846 16:12:57 -393.546191 0.082325 BFGS: 5847 16:12:57 -393.551420 0.130261 BFGS: 5848 16:12:57 -393.546254 0.082019 BFGS: 5849 16:12:58 -393.546292 0.081833 BFGS: 5850 16:12:59 -393.550614 0.152824 BFGS: 5851 16:12:59 -393.551419 0.141010 BFGS: 5852 16:12:59 -393.545829 0.083855 BFGS: 5853 16:13:00 -393.546099 0.082704 BFGS: 5854 16:13:00 -393.550968 0.148156 BFGS: 5855 16:13:00 -393.551416 0.130870 BFGS: 5856 16:13:01 -393.545642 0.084694 BFGS: 5857 16:13:01 -393.545928 0.083547 BFGS: 5858 16:13:01 -393.551267 0.143731 BFGS: 5859 16:13:02 -393.546191 0.082325 BFGS: 5860 16:13:02 -393.551420 0.130265 BFGS: 5861 16:13:02 -393.546254 0.082019 BFGS: 5862 16:13:03 -393.546292 0.081833 BFGS: 5863 16:13:03 -393.550614 0.152821 BFGS: 5864 16:13:03 -393.551419 0.141010 BFGS: 5865 16:13:04 -393.545829 0.083854 BFGS: 5866 16:13:04 -393.546100 0.082704 BFGS: 5867 16:13:04 -393.550968 0.148155 BFGS: 5868 16:13:05 -393.551416 0.130874 BFGS: 5869 16:13:05 -393.545642 0.084693 BFGS: 5870 16:13:05 -393.545929 0.083547 BFGS: 5871 16:13:06 -393.551267 0.143730 BFGS: 5872 16:13:06 -393.546191 0.082324 BFGS: 5873 16:13:07 -393.551420 0.130269 BFGS: 5874 16:13:07 -393.546254 0.082019 BFGS: 5875 16:13:07 -393.546292 0.081833 BFGS: 5876 16:13:08 -393.550615 0.152818 BFGS: 5877 16:13:08 -393.551419 0.141009 BFGS: 5878 16:13:08 -393.545829 0.083854 BFGS: 5879 16:13:09 -393.546100 0.082703 BFGS: 5880 16:13:09 -393.550968 0.148153 BFGS: 5881 16:13:10 -393.551416 0.130878 BFGS: 5882 16:13:10 -393.545642 0.084693 BFGS: 5883 16:13:10 -393.545929 0.083547 BFGS: 5884 16:13:10 -393.551267 0.143729 BFGS: 5885 16:13:11 -393.546191 0.082324 BFGS: 5886 16:13:11 -393.551420 0.130273 BFGS: 5887 16:13:11 -393.546254 0.082019 BFGS: 5888 16:13:12 -393.546292 0.081832 BFGS: 5889 16:13:12 -393.550615 0.152816 BFGS: 5890 16:13:13 -393.551419 0.141009 BFGS: 5891 16:13:13 -393.545830 0.083854 BFGS: 5892 16:13:13 -393.546100 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5917 16:13:22 -393.545830 0.083849 BFGS: 5918 16:13:23 -393.546100 0.082705 BFGS: 5919 16:13:23 -393.550970 0.148143 BFGS: 5920 16:13:23 -393.551416 0.130872 BFGS: 5921 16:13:24 -393.545642 0.084688 BFGS: 5922 16:13:24 -393.545929 0.083544 BFGS: 5923 16:13:24 -393.551268 0.143712 BFGS: 5924 16:13:25 -393.546191 0.082323 BFGS: 5925 16:13:25 -393.551420 0.130263 BFGS: 5926 16:13:25 -393.546254 0.082020 BFGS: 5927 16:13:25 -393.546292 0.081834 BFGS: 5928 16:13:26 -393.550616 0.152791 BFGS: 5929 16:13:26 -393.551419 0.141002 BFGS: 5930 16:13:26 -393.545830 0.083855 BFGS: 5931 16:13:27 -393.546100 0.082703 BFGS: 5932 16:13:27 -393.550969 0.148143 BFGS: 5933 16:13:28 -393.551416 0.130890 BFGS: 5934 16:13:28 -393.545643 0.084691 BFGS: 5935 16:13:28 -393.545929 0.083545 BFGS: 5936 16:13:29 -393.551267 0.143721 BFGS: 5937 16:13:29 -393.546191 0.082322 BFGS: 5938 16:13:29 -393.551420 0.130289 BFGS: 5939 16:13:30 -393.546254 0.082020 BFGS: 5940 16:13:30 -393.546292 0.081827 BFGS: 5941 16:13:31 -393.550612 0.152757 BFGS: 5942 16:13:31 -393.551418 0.141013 BFGS: 5943 16:13:31 -393.545830 0.083816 BFGS: 5944 16:13:32 -393.546100 0.082700 BFGS: 5945 16:13:32 -393.550968 0.148160 BFGS: 5946 16:13:33 -393.551416 0.130977 BFGS: 5947 16:13:33 -393.545643 0.084680 BFGS: 5948 16:13:33 -393.545929 0.083543 BFGS: 5949 16:13:34 -393.551266 0.143736 BFGS: 5950 16:13:34 -393.546192 0.082326 BFGS: 5951 16:13:34 -393.551419 0.130427 BFGS: 5952 16:13:35 -393.546255 0.082019 BFGS: 5953 16:13:35 -393.546293 0.081831 BFGS: 5954 16:13:35 -393.550615 0.152831 BFGS: 5955 16:13:36 -393.551419 0.141023 BFGS: 5956 16:13:36 -393.545830 0.083860 BFGS: 5957 16:13:37 -393.546100 0.082705 BFGS: 5958 16:13:37 -393.550968 0.148168 BFGS: 5959 16:13:37 -393.551415 0.131001 BFGS: 5960 16:13:38 -393.545643 0.084697 BFGS: 5961 16:13:38 -393.545929 0.083548 BFGS: 5962 16:13:38 -393.551267 0.143742 BFGS: 5963 16:13:39 -393.546191 0.082322 BFGS: 5964 16:13:39 -393.551419 0.130388 BFGS: 5965 16:13:39 -393.546255 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5990 16:13:49 -393.551420 0.130329 BFGS: 5991 16:13:50 -393.546254 0.082017 BFGS: 5992 16:13:50 -393.546293 0.081830 BFGS: 5993 16:13:51 -393.550616 0.152800 BFGS: 5994 16:13:51 -393.551419 0.141008 BFGS: 5995 16:13:51 -393.545830 0.083855 BFGS: 5996 16:13:52 -393.546100 0.082697 BFGS: 5997 16:13:53 -393.550969 0.148141 BFGS: 5998 16:13:53 -393.551416 0.130949 BFGS: 5999 16:13:53 -393.545643 0.084675 BFGS: 6000 16:13:54 -393.545929 0.083544 BFGS: 6001 16:13:54 -393.551268 0.143726 BFGS: 6002 16:13:55 -393.546191 0.082319 BFGS: 6003 16:13:55 -393.551420 0.130268 BFGS: 6004 16:13:55 -393.546254 0.082019 BFGS: 6005 16:13:56 -393.546292 0.081833 BFGS: 6006 16:13:56 -393.550617 0.152791 BFGS: 6007 16:13:57 -393.551420 0.140999 BFGS: 6008 16:13:57 -393.545830 0.083855 BFGS: 6009 16:13:58 -393.546100 0.082704 BFGS: 6010 16:13:58 -393.550970 0.148138 BFGS: 6011 16:13:58 -393.551416 0.130895 BFGS: 6012 16:13:59 -393.545643 0.084691 BFGS: 6013 16:13:59 -393.545929 0.083545 BFGS: 6014 16:13:59 -393.551268 0.143721 BFGS: 6015 16:14:00 -393.546191 0.082323 BFGS: 6016 16:14:00 -393.551420 0.130291 BFGS: 6017 16:14:00 -393.546254 0.082015 BFGS: 6018 16:14:01 -393.546293 0.081829 BFGS: 6019 16:14:01 -393.550617 0.152792 BFGS: 6020 16:14:02 -393.551420 0.141002 BFGS: 6021 16:14:02 -393.545831 0.083852 BFGS: 6022 16:14:02 -393.546100 0.082701 BFGS: 6023 16:14:03 -393.550970 0.148135 BFGS: 6024 16:14:03 -393.551416 0.130911 BFGS: 6025 16:14:03 -393.545643 0.084689 BFGS: 6026 16:14:04 -393.545929 0.083542 BFGS: 6027 16:14:04 -393.551268 0.143720 BFGS: 6028 16:14:05 -393.546191 0.082318 BFGS: 6029 16:14:05 -393.551420 0.130299 BFGS: 6030 16:14:05 -393.546254 0.082018 BFGS: 6031 16:14:06 -393.546293 0.081832 BFGS: 6032 16:14:06 -393.550617 0.152785 BFGS: 6033 16:14:06 -393.551420 0.141000 BFGS: 6034 16:14:07 -393.545831 0.083852 BFGS: 6035 16:14:07 -393.546100 0.082702 BFGS: 6036 16:14:08 -393.550970 0.148135 BFGS: 6037 16:14:08 -393.551416 0.130919 BFGS: 6038 16:14:08 -393.545643 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6063 16:14:16 -393.551416 0.130935 BFGS: 6064 16:14:17 -393.545644 0.084684 BFGS: 6065 16:14:17 -393.545930 0.083540 BFGS: 6066 16:14:17 -393.551268 0.143717 BFGS: 6067 16:14:18 -393.546191 0.082320 BFGS: 6068 16:14:18 -393.551420 0.130326 BFGS: 6069 16:14:18 -393.546255 0.082016 BFGS: 6070 16:14:19 -393.546293 0.081830 BFGS: 6071 16:14:19 -393.550618 0.152780 BFGS: 6072 16:14:19 -393.551420 0.141001 BFGS: 6073 16:14:20 -393.545831 0.083849 BFGS: 6074 16:14:20 -393.546101 0.082699 BFGS: 6075 16:14:20 -393.550970 0.148131 BFGS: 6076 16:14:21 -393.551416 0.130939 BFGS: 6077 16:14:21 -393.545644 0.084683 BFGS: 6078 16:14:22 -393.545930 0.083539 BFGS: 6079 16:14:22 -393.551268 0.143715 BFGS: 6080 16:14:22 -393.546192 0.082320 BFGS: 6081 16:14:23 -393.551420 0.130330 BFGS: 6082 16:14:23 -393.546255 0.082016 BFGS: 6083 16:14:24 -393.546293 0.081830 BFGS: 6084 16:14:24 -393.550618 0.152776 BFGS: 6085 16:14:25 -393.551420 0.141000 BFGS: 6086 16:14:25 -393.545831 0.083849 BFGS: 6087 16:14:25 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8545 16:26:30 -393.550993 0.147824 BFGS: 8546 16:26:31 -393.551410 0.131854 BFGS: 8547 16:26:31 -393.545674 0.084526 BFGS: 8548 16:26:31 -393.545949 0.083428 BFGS: 8549 16:26:31 -393.551281 0.143532 BFGS: 8550 16:26:32 -393.546202 0.082262 BFGS: 8551 16:26:32 -393.551415 0.131260 BFGS: 8552 16:26:32 -393.546263 0.081968 BFGS: 8553 16:26:32 -393.546300 0.081789 BFGS: 8554 16:26:33 -393.550659 0.152257 BFGS: 8555 16:26:33 -393.551427 0.140906 BFGS: 8556 16:26:33 -393.545855 0.083757 BFGS: 8557 16:26:33 -393.546115 0.082631 BFGS: 8558 16:26:33 -393.550993 0.147823 BFGS: 8559 16:26:34 -393.551410 0.131859 BFGS: 8560 16:26:34 -393.545674 0.084525 BFGS: 8561 16:26:34 -393.545949 0.083428 BFGS: 8562 16:26:34 -393.551281 0.143531 BFGS: 8563 16:26:34 -393.546202 0.082262 BFGS: 8564 16:26:34 -393.551415 0.131265 BFGS: 8565 16:26:34 -393.546263 0.081967 BFGS: 8566 16:26:34 -393.546300 0.081789 BFGS: 8567 16:26:35 -393.550659 0.152254 BFGS: 8568 16:26:35 -393.551427 0.140905 BFGS: 8569 16:26:35 -393.545856 0.083756 BFGS: 8570 16:26:35 -393.546115 0.082631 BFGS: 8571 16:26:35 -393.550994 0.147821 BFGS: 8572 16:26:36 -393.551410 0.131864 BFGS: 8573 16:26:36 -393.545674 0.084524 BFGS: 8574 16:26:36 -393.545949 0.083427 BFGS: 8575 16:26:36 -393.551281 0.143530 BFGS: 8576 16:26:37 -393.546202 0.082261 BFGS: 8577 16:26:37 -393.551415 0.131271 BFGS: 8578 16:26:37 -393.546263 0.081967 BFGS: 8579 16:26:37 -393.546300 0.081789 BFGS: 8580 16:26:37 -393.550659 0.152251 BFGS: 8581 16:26:37 -393.551427 0.140905 BFGS: 8582 16:26:37 -393.545856 0.083755 BFGS: 8583 16:26:37 -393.546115 0.082630 BFGS: 8584 16:26:38 -393.550994 0.147819 BFGS: 8585 16:26:38 -393.551410 0.131869 BFGS: 8586 16:26:38 -393.545675 0.084523 BFGS: 8587 16:26:38 -393.545950 0.083426 BFGS: 8588 16:26:39 -393.551281 0.143529 BFGS: 8589 16:26:39 -393.546203 0.082264 BFGS: 8590 16:26:39 -393.551415 0.131280 BFGS: 8591 16:26:39 -393.546263 0.081967 BFGS: 8592 16:26:40 -393.546300 0.081785 BFGS: 8593 16:26:40 -393.550656 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8618 16:26:46 -393.546300 0.081786 BFGS: 8619 16:26:46 -393.550659 0.152249 BFGS: 8620 16:26:47 -393.551426 0.140916 BFGS: 8621 16:26:47 -393.545856 0.083752 BFGS: 8622 16:26:47 -393.546116 0.082630 BFGS: 8623 16:26:47 -393.550994 0.147823 BFGS: 8624 16:26:48 -393.551410 0.131919 BFGS: 8625 16:26:48 -393.545675 0.084524 BFGS: 8626 16:26:48 -393.545950 0.083427 BFGS: 8627 16:26:49 -393.551281 0.143533 BFGS: 8628 16:26:49 -393.546203 0.082260 BFGS: 8629 16:26:49 -393.551415 0.131316 BFGS: 8630 16:26:49 -393.546263 0.081965 BFGS: 8631 16:26:50 -393.546300 0.081787 BFGS: 8632 16:26:50 -393.550659 0.152251 BFGS: 8633 16:26:50 -393.551427 0.140910 BFGS: 8634 16:26:50 -393.545856 0.083756 BFGS: 8635 16:26:51 -393.546116 0.082630 BFGS: 8636 16:26:51 -393.550994 0.147821 BFGS: 8637 16:26:51 -393.551410 0.131906 BFGS: 8638 16:26:51 -393.545675 0.084523 BFGS: 8639 16:26:52 -393.545950 0.083426 BFGS: 8640 16:26:52 -393.551281 0.143531 BFGS: 8641 16:26:52 -393.546203 0.082260 BFGS: 8642 16:26:52 -393.551415 0.131311 BFGS: 8643 16:26:52 -393.546263 0.081965 BFGS: 8644 16:26:53 -393.546300 0.081787 BFGS: 8645 16:26:53 -393.550660 0.152244 BFGS: 8646 16:26:53 -393.551427 0.140906 BFGS: 8647 16:26:53 -393.545856 0.083754 BFGS: 8648 16:26:53 -393.546116 0.082629 BFGS: 8649 16:26:54 -393.550994 0.147816 BFGS: 8650 16:26:54 -393.551410 0.131903 BFGS: 8651 16:26:54 -393.545675 0.084520 BFGS: 8652 16:26:54 -393.545950 0.083424 BFGS: 8653 16:26:54 -393.551281 0.143527 BFGS: 8654 16:26:55 -393.546203 0.082259 BFGS: 8655 16:26:55 -393.551415 0.131310 BFGS: 8656 16:26:55 -393.546264 0.081965 BFGS: 8657 16:26:56 -393.546300 0.081787 BFGS: 8658 16:26:56 -393.550660 0.152238 BFGS: 8659 16:26:56 -393.551427 0.140904 BFGS: 8660 16:26:56 -393.545857 0.083753 BFGS: 8661 16:26:57 -393.546116 0.082628 BFGS: 8662 16:26:57 -393.550994 0.147812 BFGS: 8663 16:26:57 -393.551410 0.131904 BFGS: 8664 16:26:57 -393.545676 0.084519 BFGS: 8665 16:26:58 -393.545950 0.083423 BFGS: 8666 16:26:58 -393.551281 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8691 16:27:04 -393.545950 0.083421 BFGS: 8692 16:27:04 -393.551281 0.143521 BFGS: 8693 16:27:04 -393.546203 0.082258 BFGS: 8694 16:27:05 -393.551415 0.131320 BFGS: 8695 16:27:05 -393.546264 0.081964 BFGS: 8696 16:27:05 -393.546301 0.081786 BFGS: 8697 16:27:05 -393.550661 0.152226 BFGS: 8698 16:27:05 -393.551427 0.140901 BFGS: 8699 16:27:05 -393.545857 0.083750 BFGS: 8700 16:27:05 -393.546116 0.082627 BFGS: 8701 16:27:05 -393.550995 0.147805 BFGS: 8702 16:27:06 -393.551410 0.131916 BFGS: 8703 16:27:06 -393.545676 0.084515 BFGS: 8704 16:27:06 -393.545951 0.083421 BFGS: 8705 16:27:06 -393.551281 0.143520 BFGS: 8706 16:27:07 -393.546203 0.082258 BFGS: 8707 16:27:07 -393.551415 0.131325 BFGS: 8708 16:27:07 -393.546264 0.081964 BFGS: 8709 16:27:07 -393.546301 0.081786 BFGS: 8710 16:27:08 -393.550661 0.152223 BFGS: 8711 16:27:08 -393.551427 0.140897 BFGS: 8712 16:27:08 -393.545857 0.083743 BFGS: 8713 16:27:08 -393.546116 0.082624 BFGS: 8714 16:27:09 -393.550995 0.147797 BFGS: 8715 16:27:09 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8764 16:27:20 -393.545858 0.083753 BFGS: 8765 16:27:21 -393.546117 0.082633 BFGS: 8766 16:27:21 -393.550995 0.147816 BFGS: 8767 16:27:21 -393.551409 0.131958 BFGS: 8768 16:27:21 -393.545677 0.084518 BFGS: 8769 16:27:22 -393.545951 0.083418 BFGS: 8770 16:27:22 -393.551281 0.143524 BFGS: 8771 16:27:22 -393.546204 0.082259 BFGS: 8772 16:27:22 -393.551414 0.131388 BFGS: 8773 16:27:22 -393.546264 0.081964 BFGS: 8774 16:27:23 -393.546301 0.081786 BFGS: 8775 16:27:23 -393.550662 0.152230 BFGS: 8776 16:27:23 -393.551427 0.140905 BFGS: 8777 16:27:23 -393.545858 0.083748 BFGS: 8778 16:27:23 -393.546117 0.082626 BFGS: 8779 16:27:24 -393.550995 0.147804 BFGS: 8780 16:27:24 -393.551409 0.131960 BFGS: 8781 16:27:24 -393.545677 0.084524 BFGS: 8782 16:27:24 -393.545951 0.083427 BFGS: 8783 16:27:25 -393.551282 0.143527 BFGS: 8784 16:27:25 -393.546203 0.082255 BFGS: 8785 16:27:25 -393.551415 0.131350 BFGS: 8786 16:27:25 -393.546264 0.081958 BFGS: 8787 16:27:26 -393.546301 0.081787 BFGS: 8788 16:27:26 -393.550665 0.152234 BFGS: 8789 16:27:26 -393.551428 0.140891 BFGS: 8790 16:27:26 -393.545858 0.083773 BFGS: 8791 16:27:26 -393.546117 0.082629 BFGS: 8792 16:27:27 -393.550997 0.147784 BFGS: 8793 16:27:27 -393.551410 0.131896 BFGS: 8794 16:27:27 -393.545677 0.084523 BFGS: 8795 16:27:27 -393.545951 0.083421 BFGS: 8796 16:27:27 -393.551283 0.143499 BFGS: 8797 16:27:28 -393.546203 0.082256 BFGS: 8798 16:27:28 -393.551415 0.131282 BFGS: 8799 16:27:28 -393.546264 0.081965 BFGS: 8800 16:27:28 -393.546301 0.081785 BFGS: 8801 16:27:29 -393.550661 0.152131 BFGS: 8802 16:27:29 -393.551427 0.140884 BFGS: 8803 16:27:29 -393.545857 0.083705 BFGS: 8804 16:27:29 -393.546117 0.082626 BFGS: 8805 16:27:30 -393.550996 0.147772 BFGS: 8806 16:27:30 -393.551410 0.131920 BFGS: 8807 16:27:30 -393.545677 0.084505 BFGS: 8808 16:27:30 -393.545951 0.083419 BFGS: 8809 16:27:31 -393.551282 0.143508 BFGS: 8810 16:27:31 -393.546204 0.082261 BFGS: 8811 16:27:31 -393.551415 0.131340 BFGS: 8812 16:27:31 -393.546264 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8837 16:27:37 -393.551415 0.131330 BFGS: 8838 16:27:38 -393.546264 0.081968 BFGS: 8839 16:27:38 -393.546301 0.081790 BFGS: 8840 16:27:38 -393.550664 0.152186 BFGS: 8841 16:27:38 -393.551428 0.140886 BFGS: 8842 16:27:39 -393.545858 0.083744 BFGS: 8843 16:27:39 -393.546117 0.082625 BFGS: 8844 16:27:39 -393.550997 0.147775 BFGS: 8845 16:27:39 -393.551410 0.131938 BFGS: 8846 16:27:39 -393.545678 0.084515 BFGS: 8847 16:27:40 -393.545952 0.083419 BFGS: 8848 16:27:40 -393.551282 0.143506 BFGS: 8849 16:27:40 -393.546204 0.082257 BFGS: 8850 16:27:41 -393.551414 0.131358 BFGS: 8851 16:27:41 -393.546264 0.081963 BFGS: 8852 16:27:41 -393.546301 0.081785 BFGS: 8853 16:27:41 -393.550664 0.152204 BFGS: 8854 16:27:42 -393.551427 0.140893 BFGS: 8855 16:27:42 -393.545859 0.083747 BFGS: 8856 16:27:42 -393.546117 0.082625 BFGS: 8857 16:27:42 -393.550996 0.147781 BFGS: 8858 16:27:42 -393.551409 0.131961 BFGS: 8859 16:27:43 -393.545678 0.084505 BFGS: 8860 16:27:43 -393.545952 0.083413 BFGS: 8861 16:27:43 -393.551282 0.143509 BFGS: 8862 16:27:43 -393.546204 0.082255 BFGS: 8863 16:27:44 -393.551414 0.131372 BFGS: 8864 16:27:44 -393.546264 0.081961 BFGS: 8865 16:27:44 -393.546301 0.081783 BFGS: 8866 16:27:45 -393.550664 0.152186 BFGS: 8867 16:27:45 -393.551427 0.140891 BFGS: 8868 16:27:45 -393.545859 0.083742 BFGS: 8869 16:27:45 -393.546117 0.082621 BFGS: 8870 16:27:45 -393.550997 0.147779 BFGS: 8871 16:27:46 -393.551409 0.131969 BFGS: 8872 16:27:46 -393.545678 0.084506 BFGS: 8873 16:27:46 -393.545952 0.083413 BFGS: 8874 16:27:46 -393.551282 0.143506 BFGS: 8875 16:27:47 -393.546204 0.082253 BFGS: 8876 16:27:47 -393.551414 0.131382 BFGS: 8877 16:27:47 -393.546264 0.081957 BFGS: 8878 16:27:47 -393.546301 0.081783 BFGS: 8879 16:27:47 -393.550664 0.152172 BFGS: 8880 16:27:47 -393.551427 0.140889 BFGS: 8881 16:27:47 -393.545859 0.083736 BFGS: 8882 16:27:48 -393.546117 0.082622 BFGS: 8883 16:27:48 -393.550997 0.147772 BFGS: 8884 16:27:48 -393.551409 0.131967 BFGS: 8885 16:27:48 -393.545679 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8910 16:27:53 -393.551409 0.132010 BFGS: 8911 16:27:53 -393.545679 0.084500 BFGS: 8912 16:27:54 -393.545952 0.083421 BFGS: 8913 16:27:54 -393.551282 0.143519 BFGS: 8914 16:27:54 -393.546204 0.082252 BFGS: 8915 16:27:55 -393.551414 0.131414 BFGS: 8916 16:27:55 -393.546265 0.081964 BFGS: 8917 16:27:55 -393.546301 0.081781 BFGS: 8918 16:27:55 -393.550662 0.152173 BFGS: 8919 16:27:55 -393.551426 0.140905 BFGS: 8920 16:27:56 -393.545859 0.083711 BFGS: 8921 16:27:56 -393.546118 0.082620 BFGS: 8922 16:27:56 -393.550995 0.147797 BFGS: 8923 16:27:56 -393.551409 0.132042 BFGS: 8924 16:27:57 -393.545679 0.084505 BFGS: 8925 16:27:57 -393.545953 0.083423 BFGS: 8926 16:27:57 -393.551282 0.143528 BFGS: 8927 16:27:57 -393.546204 0.082251 BFGS: 8928 16:27:58 -393.551414 0.131443 BFGS: 8929 16:27:58 -393.546265 0.081959 BFGS: 8930 16:27:58 -393.546301 0.081782 BFGS: 8931 16:27:58 -393.550664 0.152215 BFGS: 8932 16:27:59 -393.551427 0.140903 BFGS: 8933 16:27:59 -393.545859 0.083742 BFGS: 8934 16:27:59 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9056 16:28:26 -393.551283 0.143495 BFGS: 9057 16:28:26 -393.546205 0.082248 BFGS: 9058 16:28:26 -393.551414 0.131471 BFGS: 9059 16:28:27 -393.546265 0.081956 BFGS: 9060 16:28:27 -393.546302 0.081779 BFGS: 9061 16:28:27 -393.550667 0.152148 BFGS: 9062 16:28:27 -393.551428 0.140891 BFGS: 9063 16:28:28 -393.545861 0.083733 BFGS: 9064 16:28:28 -393.546119 0.082615 BFGS: 9065 16:28:28 -393.550998 0.147758 BFGS: 9066 16:28:28 -393.551409 0.132060 BFGS: 9067 16:28:29 -393.545681 0.084489 BFGS: 9068 16:28:29 -393.545954 0.083402 BFGS: 9069 16:28:29 -393.551283 0.143494 BFGS: 9070 16:28:29 -393.546205 0.082248 BFGS: 9071 16:28:29 -393.551414 0.131477 BFGS: 9072 16:28:29 -393.546265 0.081956 BFGS: 9073 16:28:30 -393.546302 0.081779 BFGS: 9074 16:28:30 -393.550668 0.152145 BFGS: 9075 16:28:30 -393.551428 0.140890 BFGS: 9076 16:28:30 -393.545861 0.083732 BFGS: 9077 16:28:31 -393.546119 0.082614 BFGS: 9078 16:28:31 -393.550998 0.147756 BFGS: 9079 16:28:31 -393.551409 0.132066 BFGS: 9080 16:28:31 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9129 16:28:40 -393.546119 0.082612 BFGS: 9130 16:28:40 -393.550999 0.147749 BFGS: 9131 16:28:40 -393.551408 0.132088 BFGS: 9132 16:28:40 -393.545682 0.084484 BFGS: 9133 16:28:40 -393.545955 0.083398 BFGS: 9134 16:28:40 -393.551284 0.143488 BFGS: 9135 16:28:40 -393.546205 0.082246 BFGS: 9136 16:28:40 -393.551414 0.131506 BFGS: 9137 16:28:40 -393.546266 0.081954 BFGS: 9138 16:28:41 -393.546302 0.081778 BFGS: 9139 16:28:41 -393.550669 0.152130 BFGS: 9140 16:28:41 -393.551428 0.140888 BFGS: 9141 16:28:41 -393.545862 0.083729 BFGS: 9142 16:28:41 -393.546119 0.082612 BFGS: 9143 16:28:41 -393.550999 0.147747 BFGS: 9144 16:28:41 -393.551408 0.132093 BFGS: 9145 16:28:41 -393.545682 0.084483 BFGS: 9146 16:28:41 -393.545955 0.083398 BFGS: 9147 16:28:41 -393.551284 0.143488 BFGS: 9148 16:28:42 -393.546205 0.082245 BFGS: 9149 16:28:42 -393.551413 0.131511 BFGS: 9150 16:28:42 -393.546266 0.081954 BFGS: 9151 16:28:42 -393.546302 0.081777 BFGS: 9152 16:28:42 -393.550669 0.152127 BFGS: 9153 16:28:43 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0.084438 BFGS: 9835 16:31:08 -393.545961 0.083359 BFGS: 9836 16:31:08 -393.551287 0.143441 BFGS: 9837 16:31:09 -393.546209 0.082225 BFGS: 9838 16:31:09 -393.551411 0.131834 BFGS: 9839 16:31:09 -393.546269 0.081936 BFGS: 9840 16:31:09 -393.546305 0.081761 BFGS: 9841 16:31:09 -393.550681 0.151981 BFGS: 9842 16:31:09 -393.551429 0.140871 BFGS: 9843 16:31:09 -393.545870 0.083688 BFGS: 9844 16:31:09 -393.546125 0.082585 BFGS: 9845 16:31:09 -393.551006 0.147652 BFGS: 9846 16:31:10 -393.551406 0.132390 BFGS: 9847 16:31:10 -393.545693 0.084435 BFGS: 9848 16:31:10 -393.545962 0.083361 BFGS: 9849 16:31:10 -393.551287 0.143440 BFGS: 9850 16:31:10 -393.546209 0.082225 BFGS: 9851 16:31:10 -393.551411 0.131826 BFGS: 9852 16:31:10 -393.546269 0.081937 BFGS: 9853 16:31:10 -393.546305 0.081763 BFGS: 9854 16:31:11 -393.550681 0.151972 BFGS: 9855 16:31:11 -393.551429 0.140870 BFGS: 9856 16:31:11 -393.545871 0.083691 BFGS: 9857 16:31:11 -393.546125 0.082586 BFGS: 9858 16:31:11 -393.551006 0.147657 BFGS: 9859 16:31:11 -393.551406 0.132393 BFGS: 9860 16:31:11 -393.545693 0.084432 BFGS: 9861 16:31:11 -393.545962 0.083361 BFGS: 9862 16:31:12 -393.551287 0.143434 BFGS: 9863 16:31:12 -393.546209 0.082223 BFGS: 9864 16:31:12 -393.551411 0.131828 BFGS: 9865 16:31:12 -393.546269 0.081935 BFGS: 9866 16:31:12 -393.546305 0.081761 BFGS: 9867 16:31:12 -393.550681 0.151972 BFGS: 9868 16:31:12 -393.551429 0.140867 BFGS: 9869 16:31:12 -393.545871 0.083686 BFGS: 9870 16:31:12 -393.546125 0.082584 BFGS: 9871 16:31:13 -393.551006 0.147645 BFGS: 9872 16:31:13 -393.551406 0.132390 BFGS: 9873 16:31:13 -393.545693 0.084433 BFGS: 9874 16:31:13 -393.545962 0.083364 BFGS: 9875 16:31:13 -393.551288 0.143435 BFGS: 9876 16:31:13 -393.546209 0.082219 BFGS: 9877 16:31:13 -393.551411 0.131809 BFGS: 9878 16:31:13 -393.546269 0.081941 BFGS: 9879 16:31:13 -393.546305 0.081762 BFGS: 9880 16:31:13 -393.550679 0.151934 BFGS: 9881 16:31:14 -393.551429 0.140868 BFGS: 9882 16:31:14 -393.545870 0.083654 BFGS: 9883 16:31:14 -393.546125 0.082583 BFGS: 9884 16:31:14 -393.551006 0.147646 BFGS: 9885 16:31:14 -393.551406 0.132414 BFGS: 9886 16:31:14 -393.545694 0.084427 BFGS: 9887 16:31:14 -393.545962 0.083366 BFGS: 9888 16:31:14 -393.551287 0.143446 BFGS: 9889 16:31:14 -393.546210 0.082226 BFGS: 9890 16:31:14 -393.551411 0.131843 BFGS: 9891 16:31:14 -393.546269 0.081936 BFGS: 9892 16:31:15 -393.546305 0.081762 BFGS: 9893 16:31:15 -393.550682 0.151973 BFGS: 9894 16:31:15 -393.551429 0.140871 BFGS: 9895 16:31:15 -393.545871 0.083685 BFGS: 9896 16:31:15 -393.546125 0.082585 BFGS: 9897 16:31:15 -393.551006 0.147644 BFGS: 9898 16:31:15 -393.551406 0.132405 BFGS: 9899 16:31:16 -393.545694 0.084426 BFGS: 9900 16:31:16 -393.545962 0.083362 BFGS: 9901 16:31:16 -393.551288 0.143437 BFGS: 9902 16:31:16 -393.546210 0.082222 BFGS: 9903 16:31:17 -393.551411 0.131816 BFGS: 9904 16:31:17 -393.546269 0.081939 BFGS: 9905 16:31:17 -393.546305 0.081769 BFGS: 9906 16:31:17 -393.550685 0.151986 BFGS: 9907 16:31:17 -393.551431 0.140856 BFGS: 9908 16:31:18 -393.545871 0.083722 BFGS: 9909 16:31:18 -393.546125 0.082592 BFGS: 9910 16:31:18 -393.551008 0.147643 BFGS: 9911 16:31:18 -393.551406 0.132353 BFGS: 9912 16:31:18 -393.545694 0.084437 BFGS: 9913 16:31:18 -393.545962 0.083358 BFGS: 9914 16:31:19 -393.551288 0.143414 BFGS: 9915 16:31:19 -393.546210 0.082224 BFGS: 9916 16:31:19 -393.551412 0.131794 BFGS: 9917 16:31:19 -393.546269 0.081939 BFGS: 9918 16:31:19 -393.546305 0.081766 BFGS: 9919 16:31:19 -393.550683 0.151937 BFGS: 9920 16:31:19 -393.551430 0.140857 BFGS: 9921 16:31:19 -393.545871 0.083694 BFGS: 9922 16:31:19 -393.546125 0.082588 BFGS: 9923 16:31:19 -393.551007 0.147635 BFGS: 9924 16:31:20 -393.551406 0.132385 BFGS: 9925 16:31:20 -393.545694 0.084426 BFGS: 9926 16:31:20 -393.545962 0.083357 BFGS: 9927 16:31:20 -393.551288 0.143424 BFGS: 9928 16:31:20 -393.546210 0.082224 BFGS: 9929 16:31:20 -393.551411 0.131828 BFGS: 9930 16:31:20 -393.546269 0.081937 BFGS: 9931 16:31:20 -393.546305 0.081763 BFGS: 9932 16:31:20 -393.550683 0.151952 BFGS: 9933 16:31:20 -393.551430 0.140865 BFGS: 9934 16:31:21 -393.545871 0.083690 BFGS: 9935 16:31:21 -393.546125 0.082585 BFGS: 9936 16:31:21 -393.551007 0.147641 BFGS: 9937 16:31:21 -393.551406 0.132405 BFGS: 9938 16:31:21 -393.545694 0.084425 BFGS: 9939 16:31:21 -393.545962 0.083356 BFGS: 9940 16:31:21 -393.551288 0.143429 BFGS: 9941 16:31:21 -393.546210 0.082223 BFGS: 9942 16:31:21 -393.551411 0.131845 BFGS: 9943 16:31:21 -393.546269 0.081935 BFGS: 9944 16:31:22 -393.546305 0.081761 BFGS: 9945 16:31:22 -393.550683 0.151953 BFGS: 9946 16:31:22 -393.551430 0.140867 BFGS: 9947 16:31:22 -393.545872 0.083689 BFGS: 9948 16:31:22 -393.546125 0.082584 BFGS: 9949 16:31:22 -393.551007 0.147642 BFGS: 9950 16:31:22 -393.551406 0.132416 BFGS: 9951 16:31:22 -393.545694 0.084424 BFGS: 9952 16:31:22 -393.545963 0.083355 BFGS: 9953 16:31:22 -393.551288 0.143430 BFGS: 9954 16:31:23 -393.546210 0.082225 BFGS: 9955 16:31:23 -393.551411 0.131854 BFGS: 9956 16:31:23 -393.546269 0.081930 BFGS: 9957 16:31:23 -393.546305 0.081758 BFGS: 9958 16:31:23 -393.550683 0.151941 BFGS: 9959 16:31:23 -393.551430 0.140868 BFGS: 9960 16:31:23 -393.545872 0.083683 BFGS: 9961 16:31:23 -393.546125 0.082587 BFGS: 9962 16:31:23 -393.551008 0.147635 BFGS: 9963 16:31:23 -393.551406 0.132414 BFGS: 9964 16:31:24 -393.545695 0.084427 BFGS: 9965 16:31:24 -393.545963 0.083355 BFGS: 9966 16:31:24 -393.551288 0.143427 BFGS: 9967 16:31:24 -393.546210 0.082222 BFGS: 9968 16:31:24 -393.551411 0.131851 BFGS: 9969 16:31:24 -393.546269 0.081937 BFGS: 9970 16:31:24 -393.546305 0.081757 BFGS: 9971 16:31:24 -393.550681 0.151919 BFGS: 9972 16:31:24 -393.551429 0.140867 BFGS: 9973 16:31:24 -393.545871 0.083651 BFGS: 9974 16:31:24 -393.546125 0.082579 BFGS: 9975 16:31:25 -393.551006 0.147634 BFGS: 9976 16:31:25 -393.551405 0.132451 BFGS: 9977 16:31:25 -393.545695 0.084422 BFGS: 9978 16:31:25 -393.545963 0.083357 BFGS: 9979 16:31:25 -393.551287 0.143437 BFGS: 9980 16:31:25 -393.546210 0.082219 BFGS: 9981 16:31:25 -393.551411 0.131899 BFGS: 9982 16:31:25 -393.546269 0.081934 BFGS: 9983 16:31:25 -393.546306 0.081765 BFGS: 9984 16:31:26 -393.550686 0.151984 BFGS: 9985 16:31:26 -393.551430 0.140864 BFGS: 9986 16:31:26 -393.545872 0.083712 BFGS: 9987 16:31:26 -393.546126 0.082587 BFGS: 9988 16:31:26 -393.551009 0.147639 BFGS: 9989 16:31:26 -393.551406 0.132416 BFGS: 9990 16:31:26 -393.545695 0.084433 BFGS: 9991 16:31:26 -393.545963 0.083350 BFGS: 9992 16:31:26 -393.551288 0.143418 BFGS: 9993 16:31:27 -393.546210 0.082222 BFGS: 9994 16:31:27 -393.551411 0.131866 BFGS: 9995 16:31:27 -393.546269 0.081935 BFGS: 9996 16:31:27 -393.546305 0.081764 BFGS: 9997 16:31:28 -393.550687 0.151962 BFGS: 9998 16:31:28 -393.551431 0.140855 BFGS: 9999 16:31:28 -393.545873 0.083716 BFGS: 10000 16:31:28 -393.546126 0.082583 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.0644739465124199 eV/Angstrom Maximum stress component: 0.0005106862469999902 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', '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', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.85760508 0.20583228 0.87051744] [0.14239492 0.70583228 0.62948256] [0.14239492 0.79416772 0.12948256] [0.85760508 0.29416772 0.37051744] [0.83418834 0.82725136 0.36533417] [0.16581166 0.32725136 0.13466583] [0.16581166 0.17274864 0.63466583] [0.83418834 0.67274864 0.86533417] [0.69528358 0.63618239 0.51642805] [0.30471642 0.13618239 0.98357195] [0.30471642 0.36381761 0.48357195] [0.69528358 0.86381761 0.01642805] [0.58759597 0.32295393 0.78184572] [0.41240403 0.82295393 0.71815428] [0.41240403 0.67704607 0.21815428] [0.58759597 0.17704607 0.28184572] [0.70534537 0.08232315 0.68022039] [0.29465463 0.58232315 0.81977961] [0.29465463 0.91767685 0.31977961] [0.70534537 0.41767685 0.18022039] [0.66316179 0.54956686 0.44197412] [0.33683821 0.04956686 0.05802588] [0.33683821 0.45043314 0.55802588] [0.66316179 0.95043314 0.94197412] [0.76078864 0.89667506 0.5578117 ] [0.23921136 0.39667506 0.9421883 ] [0.23921136 0.10332494 0.4421883 ] [0.76078864 0.60332494 0.0578117 ] [0.56685804 0.81979885 0.40358465] [0.43314196 0.31979885 0.09641535] [0.43314196 0.18020115 0.59641535] [0.56685804 0.68020115 0.90358465] [0.46012357 0.28959194 0.75994794] [0.53987643 0.78959194 0.74005206] [0.53987643 0.71040806 0.24005206] [0.46012357 0.21040806 0.25994794] [0.59140204 0.38568059 0.87284435] [0.40859796 0.88568059 0.62715565] [0.40859796 0.61431941 0.12715565] [0.59140204 0.11431941 0.37284435] [0.61504176 0.41047835 0.71011528] [0.38495824 0.91047835 0.78988472] [0.38495824 0.58952165 0.28988472] [0.61504176 0.08952165 0.21011528] [0.8082789 0.59480633 0.56699841] [0.1917211 0.09480633 0.93300159] [0.1917211 0.40519367 0.43300159] [0.8082789 0.90519367 0.06699841] [0.60037518 0.62784506 0.5836215 ] [0.39962482 0.12784506 0.9163785 ] [0.39962482 0.37215494 0.4163785 ] [0.60037518 0.87215494 0.0836215 ] [0.81194441 0.75188793 0.28178212] [0.18805559 0.25188793 0.21821788] [0.18805559 0.24811207 0.71821788] [0.81194441 0.74811207 0.78178212] [0.83548536 0.9486885 0.33060209] [0.16451464 0.4486885 0.16939791] [0.16451464 0.0513115 0.66939791] [0.83548536 0.5513115 0.83060209] [0.95898202 0.80272542 0.40342923] [0.04101798 0.30272542 0.09657077] [0.04101798 0.19727458 0.59657077] [0.95898202 0.69727458 0.90342923] [0.94405261 0.28554685 0.82889567] [0.05594739 0.78554685 0.67110433] [0.05594739 0.71445315 0.17110433] [0.94405261 0.21445315 0.32889567] [0.83471646 0.25712444 0.96288786] [0.16528354 0.75712444 0.53711214] [0.16528354 0.74287556 0.03711214] [0.83471646 0.24287556 0.46288786] [0.9232242 0.09483975 0.88884519] [0.0767758 0.59483975 0.61115481] [0.0767758 0.90516025 0.11115481] [0.9232242 0.40516025 0.38884519] [0.70934299 0.80219961 0.46329165] [0.29065701 0.30219961 0.03670835] [0.29065701 0.19780039 0.53670835] [0.70934299 0.69780039 0.96329165] [0.70314418 0.18569772 0.7867893 ] [0.29685582 0.68569772 0.7132107 ] [0.29685582 0.81430228 0.2132107 ] [0.70314418 0.31430228 0.2867893 ] [0.82709524 0.98016068 0.67247986] [0.17290476 0.48016068 0.82752014] [0.17290476 0.01983932 0.32752014] [0.82709524 0.51983932 0.17247986] [0.58585597 0.08312842 0.58944909] [0.41414403 0.58312842 0.91055091] [0.41414403 0.91687158 0.41055091] [0.58585597 0.41687158 0.08944909]] cellpar = Cell([[8.227102584704452, -1.5788477384180224e-17, -0.6069942579896359], [-1.7803204758231007e-17, 8.520719231189531, 1.3494995285208929e-17], [0.002226451100385553, 1.7304271720856915e-17, 10.58642563309538]]) forces = [[ 6.91325212e-04 4.85968260e-05 -2.11461830e-04] [-6.91325212e-04 4.85968260e-05 2.11461830e-04] [-6.91325212e-04 -4.85968260e-05 2.11461830e-04] [ 6.91325212e-04 -4.85968260e-05 -2.11461830e-04] [-1.63852242e-04 -6.29752673e-05 1.23334377e-04] [ 1.63852242e-04 -6.29752673e-05 -1.23334377e-04] [ 1.63852242e-04 6.29752673e-05 -1.23334377e-04] [-1.63852242e-04 6.29752673e-05 1.23334377e-04] [ 2.91101365e-06 7.05639456e-05 -2.16806790e-04] [-2.91101365e-06 7.05639456e-05 2.16806790e-04] [-2.91101365e-06 -7.05639456e-05 2.16806790e-04] [ 2.91101365e-06 -7.05639456e-05 -2.16806790e-04] [-4.76132067e-02 6.44739465e-02 2.13578694e-02] [ 4.76132067e-02 6.44739465e-02 -2.13578694e-02] [ 4.76132067e-02 -6.44739465e-02 -2.13578694e-02] [-4.76132067e-02 -6.44739465e-02 2.13578694e-02] [ 6.31065786e-04 1.38831872e-04 -2.02448266e-04] [-6.31065786e-04 1.38831872e-04 2.02448266e-04] [-6.31065786e-04 -1.38831872e-04 2.02448266e-04] [ 6.31065786e-04 -1.38831872e-04 -2.02448266e-04] [ 8.39144365e-05 -5.55381224e-04 -1.16749675e-05] [-8.39144365e-05 -5.55381224e-04 1.16749675e-05] [-8.39144365e-05 5.55381224e-04 1.16749675e-05] [ 8.39144365e-05 5.55381224e-04 -1.16749675e-05] [-3.83900303e-04 5.15888208e-04 -3.84687514e-05] [ 3.83900303e-04 5.15888208e-04 3.84687514e-05] [ 3.83900303e-04 -5.15888208e-04 3.84687514e-05] [-3.83900303e-04 -5.15888208e-04 -3.84687514e-05] [-1.57527884e-04 -8.64329995e-04 3.22511929e-05] [ 1.57527884e-04 -8.64329995e-04 -3.22511929e-05] [ 1.57527884e-04 8.64329995e-04 -3.22511929e-05] [-1.57527884e-04 8.64329995e-04 3.22511929e-05] [-3.62182299e-03 -1.06029878e-03 9.58060039e-05] [ 3.62182299e-03 -1.06029878e-03 -9.58060039e-05] [ 3.62182299e-03 1.06029878e-03 -9.58060039e-05] [-3.62182299e-03 1.06029878e-03 9.58060039e-05] [ 3.37719945e-04 1.60475691e-03 3.47167882e-03] [-3.37719945e-04 1.60475691e-03 -3.47167882e-03] [-3.37719945e-04 -1.60475691e-03 -3.47167882e-03] [ 3.37719945e-04 -1.60475691e-03 3.47167882e-03] [ 6.67606846e-04 2.45506099e-03 -1.94692374e-03] [-6.67606846e-04 2.45506099e-03 1.94692374e-03] [-6.67606846e-04 -2.45506099e-03 1.94692374e-03] [ 6.67606846e-04 -2.45506099e-03 -1.94692374e-03] [-1.95307515e-04 1.26211074e-04 7.58685272e-04] [ 1.95307515e-04 1.26211074e-04 -7.58685272e-04] [ 1.95307515e-04 -1.26211074e-04 -7.58685272e-04] [-1.95307515e-04 -1.26211074e-04 7.58685272e-04] [ 4.20348041e-04 -1.30383937e-04 3.50735564e-04] [-4.20348041e-04 -1.30383937e-04 -3.50735564e-04] [-4.20348041e-04 1.30383937e-04 -3.50735564e-04] [ 4.20348041e-04 1.30383937e-04 3.50735564e-04] [ 2.16783463e-04 -7.02938960e-04 2.93968242e-04] [-2.16783463e-04 -7.02938960e-04 -2.93968242e-04] [-2.16783463e-04 7.02938960e-04 -2.93968242e-04] [ 2.16783463e-04 7.02938960e-04 2.93968242e-04] [-2.25967509e-04 -1.52723162e-04 -3.43539220e-04] [ 2.25967509e-04 -1.52723162e-04 3.43539220e-04] [ 2.25967509e-04 1.52723162e-04 3.43539220e-04] [-2.25967509e-04 1.52723162e-04 -3.43539220e-04] [-2.11477276e-04 -2.61509618e-04 -4.24725406e-05] [ 2.11477276e-04 -2.61509618e-04 4.24725406e-05] [ 2.11477276e-04 2.61509618e-04 4.24725406e-05] [-2.11477276e-04 2.61509618e-04 -4.24725406e-05] [ 1.45154159e-04 6.60075304e-04 -2.85574560e-04] [-1.45154159e-04 6.60075304e-04 2.85574560e-04] [-1.45154159e-04 -6.60075304e-04 2.85574560e-04] [ 1.45154159e-04 -6.60075304e-04 -2.85574560e-04] [-6.46476487e-05 2.78306423e-05 1.87093892e-04] [ 6.46476487e-05 2.78306423e-05 -1.87093892e-04] [ 6.46476487e-05 -2.78306423e-05 -1.87093892e-04] [-6.46476487e-05 -2.78306423e-05 1.87093892e-04] [-6.61225959e-05 2.24238937e-04 -2.51623814e-04] [ 6.61225959e-05 2.24238937e-04 2.51623814e-04] [ 6.61225959e-05 -2.24238937e-04 2.51623814e-04] [-6.61225959e-05 -2.24238937e-04 -2.51623814e-04] [ 2.54109668e-04 -5.13176356e-04 -7.73145902e-05] [-2.54109668e-04 -5.13176356e-04 7.73145902e-05] [-2.54109668e-04 5.13176356e-04 7.73145902e-05] [ 2.54109668e-04 5.13176356e-04 -7.73145902e-05] [ 3.05202070e-02 -3.64691070e-02 -1.21631094e-03] [-3.05202070e-02 -3.64691070e-02 1.21631094e-03] [-3.05202070e-02 3.64691070e-02 1.21631094e-03] [ 3.05202070e-02 3.64691070e-02 -1.21631094e-03] [ 6.04615003e-04 1.29184448e-05 -5.62423425e-05] [-6.04615003e-04 1.29184448e-05 5.62423425e-05] [-6.04615003e-04 -1.29184448e-05 5.62423425e-05] [ 6.04615003e-04 -1.29184448e-05 -5.62423425e-05] [-1.94215678e-02 -3.04269928e-02 1.73092450e-02] [ 1.94215678e-02 -3.04269928e-02 -1.73092450e-02] [ 1.94215678e-02 3.04269928e-02 -1.73092450e-02] [-1.94215678e-02 3.04269928e-02 1.73092450e-02]] stress = [-1.28495081e-06 5.10686247e-04 1.06965973e-04 -5.46866772e-22 -2.53917971e-04 -1.10817535e-21] energy per atom = -4.238637497772358 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0