element(s): ['Cu', 'N'] AFLOW prototype label: AB6_oP28_62_c_6c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['13.6426', '0.22906191', '0.67342735', '0.39489377', '0.41832873', '0.81237187', '0.33120003', '0.74687467', '0.41105872', '0.67853246', '0.49582547', '0.52159726', '0.65052331', '0.46984532', '0.75954144', '0.41748666', '0.85811119'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu', 'N', 'N', 'N', 'N', 'N', 'N'] representative atom coordinates = [[0.39489377 0.25 0.41832873] [0.81237187 0.25 0.33120003] [0.74687467 0.25 0.41105872] [0.67853246 0.25 0.49582547] [0.52159726 0.25 0.65052331] [0.46984532 0.25 0.75954144] [0.41748666 0.25 0.85811119]] spacegroup = 62 cell = [[13.6426, 0, 0], [0, 3.125, 0], [0, 0, 9.1873]] ========================================= Step Time Energy fmax BFGS: 0 12:08:24 340.590125 874.998754 BFGS: 1 12:08:24 30.712676 402.889046 BFGS: 2 12:08:24 -124.151414 272.111122 BFGS: 3 12:08:24 -33.712547 583.894706 BFGS: 4 12:08:24 -94.224536 419.042862 BFGS: 5 12:08:24 -149.738530 378.422858 BFGS: 6 12:08:24 -182.808507 305.629248 BFGS: 7 12:08:25 -216.725848 228.095250 BFGS: 8 12:08:25 -252.323694 160.792877 BFGS: 9 12:08:25 -274.137271 123.793505 BFGS: 10 12:08:25 -286.201142 106.081750 BFGS: 11 12:08:25 -296.585229 93.164034 BFGS: 12 12:08:25 -305.150090 83.060686 BFGS: 13 12:08:25 -311.110353 75.798455 BFGS: 14 12:08:25 -315.850861 70.530172 BFGS: 15 12:08:25 -320.243464 66.367630 BFGS: 16 12:08:25 -324.534780 62.807335 BFGS: 17 12:08:25 -328.720088 59.640348 BFGS: 18 12:08:26 -332.749010 56.713266 BFGS: 19 12:08:26 -336.651106 53.912497 BFGS: 20 12:08:26 -340.513124 51.196621 BFGS: 21 12:08:26 -344.413054 48.532707 BFGS: 22 12:08:26 -348.362838 45.934980 BFGS: 23 12:08:26 -352.339306 43.423980 BFGS: 24 12:08:26 -356.313168 41.002088 BFGS: 25 12:08:26 -360.251669 38.651027 BFGS: 26 12:08:27 -364.127348 36.342213 BFGS: 27 12:08:27 -367.920207 34.053843 BFGS: 28 12:08:27 -371.616683 31.773217 BFGS: 29 12:08:27 -375.239824 29.490510 BFGS: 30 12:08:27 -378.824525 27.227521 BFGS: 31 12:08:27 -382.426078 24.967101 BFGS: 32 12:08:28 -385.921252 25.169940 BFGS: 33 12:08:28 -389.049586 29.072811 BFGS: 34 12:08:28 -391.822922 33.028781 BFGS: 35 12:08:28 -394.216791 35.595347 BFGS: 36 12:08:28 -396.539326 38.168226 BFGS: 37 12:08:28 -398.751550 40.197604 BFGS: 38 12:08:28 -400.922710 42.181223 BFGS: 39 12:08:28 -403.037661 44.020231 BFGS: 40 12:08:28 -405.115046 45.817804 BFGS: 41 12:08:29 -407.163422 47.575151 BFGS: 42 12:08:29 -409.191722 49.327627 BFGS: 43 12:08:29 -411.214913 51.072285 BFGS: 44 12:08:29 -413.236961 52.809008 BFGS: 45 12:08:29 -415.262411 54.525966 BFGS: 46 12:08:29 -417.288995 56.199818 BFGS: 47 12:08:29 -419.333486 57.846510 BFGS: 48 12:08:29 -421.390199 59.447655 BFGS: 49 12:08:30 -423.474315 60.952868 BFGS: 50 12:08:30 -425.586576 62.396934 BFGS: 51 12:08:30 -427.730611 63.672569 BFGS: 52 12:08:30 -429.912876 64.808286 BFGS: 53 12:08:30 -432.129215 65.708101 BFGS: 54 12:08:30 -434.386588 66.350511 BFGS: 55 12:08:30 -436.685853 66.658775 BFGS: 56 12:08:30 -439.033054 66.581924 BFGS: 57 12:08:30 -441.243593 66.147596 BFGS: 58 12:08:31 -443.288312 65.416170 BFGS: 59 12:08:31 -445.198203 64.463942 BFGS: 60 12:08:31 -447.002024 63.344910 BFGS: 61 12:08:31 -448.725112 62.104778 BFGS: 62 12:08:31 -450.390878 60.756057 BFGS: 63 12:08:31 -452.016382 59.333906 BFGS: 64 12:08:31 -453.618816 57.798193 BFGS: 65 12:08:31 -455.209840 56.160832 BFGS: 66 12:08:31 -456.794675 54.400591 BFGS: 67 12:08:31 -458.387987 52.501982 BFGS: 68 12:08:32 -459.991854 50.451414 BFGS: 69 12:08:32 -461.617116 48.224137 BFGS: 70 12:08:32 -463.267876 45.794166 BFGS: 71 12:08:32 -464.951588 43.145212 BFGS: 72 12:08:32 -466.667066 40.246121 BFGS: 73 12:08:32 -468.419440 37.130949 BFGS: 74 12:08:32 -470.187378 33.787144 BFGS: 75 12:08:32 -471.977201 32.670272 BFGS: 76 12:08:32 -473.738813 36.063230 BFGS: 77 12:08:33 -475.508123 39.266577 BFGS: 78 12:08:33 -477.201749 43.283746 BFGS: 79 12:08:33 -478.905156 46.322131 BFGS: 80 12:08:33 -480.546695 49.811501 BFGS: 81 12:08:33 -482.174442 52.747531 BFGS: 82 12:08:33 -483.771900 55.626825 BFGS: 83 12:08:33 -485.356217 58.233412 BFGS: 84 12:08:33 -486.928799 60.695491 BFGS: 85 12:08:33 -488.499345 63.119505 BFGS: 86 12:08:33 -490.044121 65.890884 BFGS: 87 12:08:34 -491.528992 69.604121 BFGS: 88 12:08:34 -492.953130 70.896937 BFGS: 89 12:08:34 -494.384527 72.932659 BFGS: 90 12:08:34 -495.869364 74.670665 BFGS: 91 12:08:34 -497.414940 76.679141 BFGS: 92 12:08:34 -499.026549 78.626447 BFGS: 93 12:08:34 -500.690108 80.707776 BFGS: 94 12:08:34 -502.391688 82.791796 BFGS: 95 12:08:35 -504.088436 84.913620 BFGS: 96 12:08:35 -505.698943 86.323933 BFGS: 97 12:08:35 -508.167751 90.859196 BFGS: 98 12:08:35 -510.460751 88.413638 BFGS: 99 12:08:35 -512.896594 86.735468 BFGS: 100 12:08:35 -515.652723 86.403229 BFGS: 101 12:08:35 -518.933662 86.538493 BFGS: 102 12:08:35 -522.525780 86.897266 BFGS: 103 12:08:35 -526.362593 87.155743 BFGS: 104 12:08:36 -530.311097 87.312455 BFGS: 105 12:08:36 -534.302079 87.327446 BFGS: 106 12:08:36 -538.267101 87.222862 BFGS: 107 12:08:36 -542.174636 87.027862 BFGS: 108 12:08:36 -546.011631 86.741124 BFGS: 109 12:08:36 -549.781150 86.422441 BFGS: 110 12:08:36 -553.480988 86.021969 BFGS: 111 12:08:36 -557.132970 85.551788 BFGS: 112 12:08:36 -560.778514 84.939161 BFGS: 113 12:08:37 -564.436315 84.099854 BFGS: 114 12:08:37 -568.157945 83.010691 BFGS: 115 12:08:37 -571.981591 81.755884 BFGS: 116 12:08:37 -575.891761 80.398797 BFGS: 117 12:08:37 -579.813102 79.046487 BFGS: 118 12:08:37 -583.698424 77.771357 BFGS: 119 12:08:37 -587.460234 76.590409 BFGS: 120 12:08:37 -591.049502 75.535341 BFGS: 121 12:08:37 -594.458014 74.597498 BFGS: 122 12:08:38 -599.455850 73.456775 BFGS: 123 12:08:38 -604.085098 72.032058 BFGS: 124 12:08:38 -610.542859 69.133687 BFGS: 125 12:08:38 -616.637650 66.040718 BFGS: 126 12:08:38 -622.599755 62.920937 BFGS: 127 12:08:38 -628.546331 59.758824 BFGS: 128 12:08:38 -634.616575 56.587284 BFGS: 129 12:08:38 -640.898284 53.337458 BFGS: 130 12:08:39 -646.940823 50.262901 BFGS: 131 12:08:39 -652.432356 48.395307 BFGS: 132 12:08:39 -656.892136 47.304443 BFGS: 133 12:08:39 -660.653875 46.515464 BFGS: 134 12:08:39 -663.937927 45.971844 BFGS: 135 12:08:39 -666.986623 45.507704 BFGS: 136 12:08:39 -669.600120 45.215947 BFGS: 137 12:08:39 -672.231735 44.916885 BFGS: 138 12:08:40 -674.502625 44.657254 BFGS: 139 12:08:40 -676.655555 44.409709 BFGS: 140 12:08:40 -678.658035 44.092992 BFGS: 141 12:08:40 -680.559283 43.727113 BFGS: 142 12:08:40 -682.378096 43.244646 BFGS: 143 12:08:40 -684.119057 42.679785 BFGS: 144 12:08:40 -685.808971 41.973985 BFGS: 145 12:08:40 -687.429585 41.171154 BFGS: 146 12:08:40 -689.026707 40.145379 BFGS: 147 12:08:41 -690.541913 39.122322 BFGS: 148 12:08:41 -692.073538 37.727160 BFGS: 149 12:08:41 -693.477806 36.612988 BFGS: 150 12:08:41 -694.976533 34.736386 BFGS: 151 12:08:41 -696.311293 33.472827 BFGS: 152 12:08:41 -697.725554 31.479404 BFGS: 153 12:08:41 -699.065921 29.816965 BFGS: 154 12:08:41 -700.451291 27.762648 BFGS: 155 12:08:42 -701.733835 25.977349 BFGS: 156 12:08:42 -702.904408 24.618540 BFGS: 157 12:08:42 -703.993056 23.382623 BFGS: 158 12:08:42 -705.027751 22.234514 BFGS: 159 12:08:42 -706.016756 21.044099 BFGS: 160 12:08:42 -706.976522 20.013444 BFGS: 161 12:08:42 -707.904719 20.177744 BFGS: 162 12:08:42 -708.783803 20.354980 BFGS: 163 12:08:43 -709.610239 20.528536 BFGS: 164 12:08:43 -710.397159 20.697015 BFGS: 165 12:08:43 -711.110062 20.867822 BFGS: 166 12:08:43 -711.812661 21.043266 BFGS: 167 12:08:43 -712.500651 21.216543 BFGS: 168 12:08:43 -713.172823 21.409583 BFGS: 169 12:08:43 -713.831629 21.582392 BFGS: 170 12:08:43 -714.500598 21.758337 BFGS: 171 12:08:44 -715.152299 21.932694 BFGS: 172 12:08:44 -715.824518 22.097287 BFGS: 173 12:08:44 -716.477910 22.274334 BFGS: 174 12:08:44 -717.169849 22.458885 BFGS: 175 12:08:44 -717.901437 22.650728 BFGS: 176 12:08:44 -718.691560 22.860696 BFGS: 177 12:08:44 -719.527858 23.068873 BFGS: 178 12:08:44 -720.419017 23.284702 BFGS: 179 12:08:44 -721.404606 23.507184 BFGS: 180 12:08:44 -722.564199 23.753436 BFGS: 181 12:08:44 -723.679405 24.001531 BFGS: 182 12:08:44 -724.796570 24.306668 BFGS: 183 12:08:44 -725.896185 24.673849 BFGS: 184 12:08:44 -726.965689 25.119856 BFGS: 185 12:08:45 -727.988861 25.610813 BFGS: 186 12:08:45 -728.975883 26.164553 BFGS: 187 12:08:45 -729.894382 26.782133 BFGS: 188 12:08:45 -730.776001 27.472376 BFGS: 189 12:08:45 -731.585496 28.241436 BFGS: 190 12:08:45 -732.402084 29.128903 BFGS: 191 12:08:45 -733.155585 30.149681 BFGS: 192 12:08:45 -734.009334 31.315968 BFGS: 193 12:08:45 -734.786755 32.653557 BFGS: 194 12:08:45 -735.747612 34.045923 BFGS: 195 12:08:45 -736.709385 35.723517 BFGS: 196 12:08:45 -737.875233 37.427187 BFGS: 197 12:08:45 -739.171357 39.307764 BFGS: 198 12:08:45 -740.649042 41.160230 BFGS: 199 12:08:45 -742.481330 43.140276 BFGS: 200 12:08:45 -744.335469 44.897445 BFGS: 201 12:08:46 -746.575917 46.485688 BFGS: 202 12:08:46 -749.010551 47.538251 BFGS: 203 12:08:46 -751.482624 47.745757 BFGS: 204 12:08:46 -754.039324 55.079465 BFGS: 205 12:08:46 -756.521028 62.399927 BFGS: 206 12:08:46 -759.013635 69.883736 BFGS: 207 12:08:46 -760.907676 75.358514 BFGS: 208 12:08:46 -762.497345 77.771740 BFGS: 209 12:08:46 -764.352112 74.230785 BFGS: 210 12:08:47 -766.817688 61.842439 BFGS: 211 12:08:47 -769.464195 45.842013 BFGS: 212 12:08:47 -772.254760 45.189250 BFGS: 213 12:08:47 -773.755286 44.442811 BFGS: 214 12:08:47 -775.509127 33.998327 BFGS: 215 12:08:47 -777.743491 30.681812 BFGS: 216 12:08:47 -780.974520 27.836631 BFGS: 217 12:08:47 -784.005964 29.539457 BFGS: 218 12:08:47 -785.478502 31.241028 BFGS: 219 12:08:47 -786.684759 32.704843 BFGS: 220 12:08:48 -787.843836 33.966471 BFGS: 221 12:08:48 -788.999223 35.055133 BFGS: 222 12:08:48 -790.155945 35.955478 BFGS: 223 12:08:48 -791.311671 36.646192 BFGS: 224 12:08:48 -792.457033 37.105070 BFGS: 225 12:08:48 -793.582428 37.303740 BFGS: 226 12:08:48 -794.674499 37.206542 BFGS: 227 12:08:48 -795.719826 36.771228 BFGS: 228 12:08:48 -796.708482 35.960167 BFGS: 229 12:08:48 -797.628590 34.695107 BFGS: 230 12:08:48 -798.469282 32.911195 BFGS: 231 12:08:48 -799.219111 30.499050 BFGS: 232 12:08:48 -799.866683 28.416166 BFGS: 233 12:08:48 -800.402537 28.331099 BFGS: 234 12:08:48 -800.814282 27.617863 BFGS: 235 12:08:48 -801.173204 26.060843 BFGS: 236 12:08:48 -801.736208 23.176503 BFGS: 237 12:08:49 -802.652227 23.739358 BFGS: 238 12:08:49 -804.033330 25.062948 BFGS: 239 12:08:49 -805.723250 25.993478 BFGS: 240 12:08:49 -807.110415 26.217843 BFGS: 241 12:08:49 -808.451069 26.980406 BFGS: 242 12:08:49 -809.741712 27.599465 BFGS: 243 12:08:49 -811.122344 29.020832 BFGS: 244 12:08:49 -812.541525 30.510979 BFGS: 245 12:08:49 -814.182892 33.097586 BFGS: 246 12:08:49 -816.152835 35.239608 BFGS: 247 12:08:49 -818.540253 36.721823 BFGS: 248 12:08:50 -821.434062 37.528311 BFGS: 249 12:08:50 -824.941284 37.790666 BFGS: 250 12:08:50 -829.143013 37.595488 BFGS: 251 12:08:50 -833.426961 37.260041 BFGS: 252 12:08:50 -837.409050 37.065673 BFGS: 253 12:08:50 -840.953551 36.825739 BFGS: 254 12:08:50 -843.978948 36.567283 BFGS: 255 12:08:50 -846.612586 36.317258 BFGS: 256 12:08:50 -848.982946 36.023120 BFGS: 257 12:08:51 -851.250659 35.666864 BFGS: 258 12:08:51 -853.424662 35.181761 BFGS: 259 12:08:51 -855.499627 34.586254 BFGS: 260 12:08:51 -857.662284 33.985491 BFGS: 261 12:08:51 -859.753266 33.311697 BFGS: 262 12:08:51 -861.783639 32.510929 BFGS: 263 12:08:51 -863.680142 31.597306 BFGS: 264 12:08:51 -865.368729 30.543938 BFGS: 265 12:08:51 -866.795622 29.386505 BFGS: 266 12:08:51 -868.233156 29.574220 BFGS: 267 12:08:52 -870.083017 33.204844 BFGS: 268 12:08:52 -872.291978 36.451786 BFGS: 269 12:08:52 -874.918892 39.424208 BFGS: 270 12:08:52 -877.828743 41.512611 BFGS: 271 12:08:52 -881.120732 43.321956 BFGS: 272 12:08:52 -884.230057 44.031097 BFGS: 273 12:08:52 -887.229339 44.541537 BFGS: 274 12:08:52 -890.019926 44.348549 BFGS: 275 12:08:52 -892.739937 44.041897 BFGS: 276 12:08:52 -895.230661 43.344979 BFGS: 277 12:08:52 -897.715547 42.479957 BFGS: 278 12:08:53 -900.055286 41.399434 BFGS: 279 12:08:53 -902.568248 40.208582 BFGS: 280 12:08:53 -905.208888 38.831999 BFGS: 281 12:08:53 -908.655698 37.513950 BFGS: 282 12:08:53 -913.037281 40.561322 BFGS: 283 12:08:53 -917.854674 45.766276 BFGS: 284 12:08:53 -923.286437 48.653623 BFGS: 285 12:08:53 -928.821683 51.464298 BFGS: 286 12:08:53 -935.277286 47.726304 BFGS: 287 12:08:53 -941.390301 43.553112 BFGS: 288 12:08:53 -945.065992 33.230324 BFGS: 289 12:08:54 -946.927658 28.112729 BFGS: 290 12:08:54 -948.460161 22.758322 BFGS: 291 12:08:54 -949.741937 18.755777 BFGS: 292 12:08:54 -950.787600 14.410579 BFGS: 293 12:08:54 -951.574551 10.541862 BFGS: 294 12:08:54 -952.071753 9.104247 BFGS: 295 12:08:54 -952.245853 8.550931 BFGS: 296 12:08:54 -952.310606 8.762203 BFGS: 297 12:08:54 -952.387659 9.838132 BFGS: 298 12:08:54 -952.524962 11.730625 BFGS: 299 12:08:54 -952.608308 12.070385 BFGS: 300 12:08:54 -952.786145 11.848793 BFGS: 301 12:08:55 -952.978511 10.556974 BFGS: 302 12:08:55 -953.360797 8.794850 BFGS: 303 12:08:55 -953.661595 7.642993 BFGS: 304 12:08:55 -954.037236 7.556091 BFGS: 305 12:08:55 -954.416076 8.416306 BFGS: 306 12:08:55 -954.770837 10.121877 BFGS: 307 12:08:55 -955.025514 11.684666 BFGS: 308 12:08:55 -955.299163 11.846777 BFGS: 309 12:08:55 -955.720371 11.913504 BFGS: 310 12:08:55 -956.441169 14.014189 BFGS: 311 12:08:55 -957.356558 15.620944 BFGS: 312 12:08:55 -958.283577 16.735780 BFGS: 313 12:08:56 -959.269372 21.493781 BFGS: 314 12:08:56 -960.466930 26.020509 BFGS: 315 12:08:56 -962.203844 29.749337 BFGS: 316 12:08:56 -964.281245 31.332479 BFGS: 317 12:08:56 -966.329669 31.908536 BFGS: 318 12:08:56 -968.558263 31.881194 BFGS: 319 12:08:56 -971.055276 32.142098 BFGS: 320 12:08:56 -973.715358 32.007791 BFGS: 321 12:08:56 -976.638828 32.485966 BFGS: 322 12:08:56 -979.602450 32.773350 BFGS: 323 12:08:56 -982.510464 35.295126 BFGS: 324 12:08:57 -985.111280 37.102660 BFGS: 325 12:08:57 -987.413073 38.442229 BFGS: 326 12:08:57 -989.484775 39.244065 BFGS: 327 12:08:57 -991.440079 39.738614 BFGS: 328 12:08:57 -993.355277 39.927541 BFGS: 329 12:08:57 -995.294176 39.998717 BFGS: 330 12:08:57 -997.272201 39.684797 BFGS: 331 12:08:57 -999.354011 39.385064 BFGS: 332 12:08:57 -1001.515532 38.008669 BFGS: 333 12:08:57 -1003.811017 38.386404 BFGS: 334 12:08:57 -1006.128046 35.625708 BFGS: 335 12:08:58 -1008.704385 33.953174 BFGS: 336 12:08:58 -1011.742844 29.611779 BFGS: 337 12:08:58 -1014.659299 26.312780 BFGS: 338 12:08:58 -1017.014253 26.574501 BFGS: 339 12:08:58 -1019.075741 26.711300 BFGS: 340 12:08:58 -1020.984797 25.583855 BFGS: 341 12:08:58 -1022.408172 24.558533 BFGS: 342 12:08:58 -1023.468884 23.356690 BFGS: 343 12:08:58 -1024.360803 22.320307 BFGS: 344 12:08:58 -1025.133008 21.344107 BFGS: 345 12:08:58 -1025.807497 20.447282 BFGS: 346 12:08:58 -1026.379487 19.559935 BFGS: 347 12:08:58 -1026.847519 18.643989 BFGS: 348 12:08:58 -1027.227811 17.650747 BFGS: 349 12:08:58 -1027.523473 16.592832 BFGS: 350 12:08:58 -1027.758616 15.381948 BFGS: 351 12:08:58 -1027.938969 15.325548 BFGS: 352 12:08:59 -1028.066996 16.945103 BFGS: 353 12:08:59 -1028.149622 17.060434 BFGS: 354 12:08:59 -1028.220739 17.885879 BFGS: 355 12:08:59 -1028.284243 18.360448 BFGS: 356 12:08:59 -1028.326178 19.036654 BFGS: 357 12:08:59 -1028.380366 19.638902 BFGS: 358 12:08:59 -1028.459967 19.900644 BFGS: 359 12:08:59 -1028.636637 19.884128 BFGS: 360 12:08:59 -1029.008043 19.273766 BFGS: 361 12:08:59 -1029.814564 17.826018 BFGS: 362 12:08:59 -1030.951443 16.977600 BFGS: 363 12:08:59 -1032.412593 16.401773 BFGS: 364 12:08:59 -1033.779936 15.015920 BFGS: 365 12:08:59 -1034.981313 10.049464 BFGS: 366 12:08:59 -1035.346201 8.909504 BFGS: 367 12:08:59 -1035.450151 7.759799 BFGS: 368 12:08:59 -1035.480259 8.276853 BFGS: 369 12:08:59 -1035.528578 9.299505 BFGS: 370 12:08:59 -1035.561559 9.405994 BFGS: 371 12:08:59 -1035.718706 9.920265 BFGS: 372 12:08:59 -1035.990738 10.851838 BFGS: 373 12:08:59 -1036.483594 9.747453 BFGS: 374 12:08:59 -1036.946588 6.175824 BFGS: 375 12:08:59 -1037.230420 2.520834 BFGS: 376 12:09:00 -1037.290961 1.516529 BFGS: 377 12:09:00 -1037.297274 1.469645 BFGS: 378 12:09:00 -1037.298696 1.580697 BFGS: 379 12:09:00 -1037.301000 1.758341 BFGS: 380 12:09:00 -1037.302927 1.749782 BFGS: 381 12:09:00 -1037.322481 1.646790 BFGS: 382 12:09:00 -1037.354172 2.161473 BFGS: 383 12:09:00 -1037.431525 3.229558 BFGS: 384 12:09:00 -1037.518475 3.941422 BFGS: 385 12:09:00 -1037.614071 4.501086 BFGS: 386 12:09:00 -1037.717099 4.962443 BFGS: 387 12:09:00 -1037.824784 5.370557 BFGS: 388 12:09:00 -1037.936268 5.737881 BFGS: 389 12:09:00 -1038.058259 6.069656 BFGS: 390 12:09:00 -1038.194359 6.308562 BFGS: 391 12:09:00 -1038.345338 6.477828 BFGS: 392 12:09:00 -1038.511077 6.580902 BFGS: 393 12:09:00 -1038.689252 6.630072 BFGS: 394 12:09:00 -1038.877917 6.639771 BFGS: 395 12:09:00 -1039.075963 6.619433 BFGS: 396 12:09:00 -1039.283965 6.591286 BFGS: 397 12:09:00 -1039.499117 6.557090 BFGS: 398 12:09:00 -1039.720708 6.510336 BFGS: 399 12:09:00 -1039.949149 6.458840 BFGS: 400 12:09:00 -1040.183439 6.398286 BFGS: 401 12:09:00 -1040.423725 6.325872 BFGS: 402 12:09:00 -1040.670392 6.249926 BFGS: 403 12:09:00 -1040.922690 6.170561 BFGS: 404 12:09:00 -1041.180564 6.094354 BFGS: 405 12:09:00 -1041.444562 6.012606 BFGS: 406 12:09:00 -1041.714579 5.945931 BFGS: 407 12:09:00 -1041.991156 5.858636 BFGS: 408 12:09:00 -1042.273638 5.779442 BFGS: 409 12:09:00 -1042.562819 5.701953 BFGS: 410 12:09:00 -1042.859786 5.616143 BFGS: 411 12:09:01 -1043.162941 5.539031 BFGS: 412 12:09:01 -1043.473371 5.463982 BFGS: 413 12:09:01 -1043.792040 5.390470 BFGS: 414 12:09:01 -1044.117623 5.317328 BFGS: 415 12:09:01 -1044.450186 5.244123 BFGS: 416 12:09:01 -1044.790072 5.174431 BFGS: 417 12:09:01 -1045.137679 5.105050 BFGS: 418 12:09:01 -1045.492984 5.038193 BFGS: 419 12:09:01 -1045.856234 4.972964 BFGS: 420 12:09:01 -1046.228117 4.909928 BFGS: 421 12:09:01 -1046.609798 4.874509 BFGS: 422 12:09:01 -1047.001179 4.809394 BFGS: 423 12:09:01 -1047.401695 4.758357 BFGS: 424 12:09:01 -1047.812375 4.691146 BFGS: 425 12:09:01 -1048.233642 4.644933 BFGS: 426 12:09:01 -1048.665886 4.578701 BFGS: 427 12:09:01 -1049.107387 4.527953 BFGS: 428 12:09:01 -1049.559020 4.475522 BFGS: 429 12:09:01 -1050.021412 4.429381 BFGS: 430 12:09:01 -1050.494745 4.407327 BFGS: 431 12:09:01 -1050.978500 4.528404 BFGS: 432 12:09:01 -1051.473288 4.668395 BFGS: 433 12:09:01 -1051.980788 4.801642 BFGS: 434 12:09:01 -1052.499371 4.927599 BFGS: 435 12:09:01 -1053.029286 5.051034 BFGS: 436 12:09:01 -1053.570662 5.175976 BFGS: 437 12:09:01 -1054.124147 5.323764 BFGS: 438 12:09:02 -1054.692626 5.476251 BFGS: 439 12:09:02 -1055.273032 5.602068 BFGS: 440 12:09:02 -1055.865035 5.736923 BFGS: 441 12:09:02 -1056.469489 5.862064 BFGS: 442 12:09:02 -1057.086321 5.989635 BFGS: 443 12:09:02 -1057.717022 6.141977 BFGS: 444 12:09:02 -1058.360047 6.259769 BFGS: 445 12:09:02 -1059.013930 6.379917 BFGS: 446 12:09:02 -1059.677581 6.485529 BFGS: 447 12:09:02 -1060.350546 6.590472 BFGS: 448 12:09:02 -1061.032102 6.682353 BFGS: 449 12:09:02 -1061.721184 6.764976 BFGS: 450 12:09:02 -1062.416953 6.842481 BFGS: 451 12:09:02 -1063.118105 6.903507 BFGS: 452 12:09:02 -1063.824621 6.971045 BFGS: 453 12:09:02 -1064.534509 7.028237 BFGS: 454 12:09:02 -1065.246823 7.054360 BFGS: 455 12:09:02 -1065.958773 7.060957 BFGS: 456 12:09:02 -1066.668300 7.049358 BFGS: 457 12:09:02 -1067.374193 7.026482 BFGS: 458 12:09:02 -1068.074876 6.981446 BFGS: 459 12:09:02 -1068.764500 6.887959 BFGS: 460 12:09:03 -1069.443218 6.791520 BFGS: 461 12:09:03 -1070.107433 6.651131 BFGS: 462 12:09:03 -1070.754861 6.497478 BFGS: 463 12:09:03 -1071.382987 6.305046 BFGS: 464 12:09:03 -1071.988729 6.095868 BFGS: 465 12:09:03 -1072.570774 5.845824 BFGS: 466 12:09:03 -1073.125225 5.570356 BFGS: 467 12:09:03 -1073.650156 5.265892 BFGS: 468 12:09:03 -1074.142004 4.929498 BFGS: 469 12:09:03 -1074.599780 4.580781 BFGS: 470 12:09:03 -1075.018457 4.179962 BFGS: 471 12:09:03 -1075.397390 3.763362 BFGS: 472 12:09:03 -1075.733385 3.314805 BFGS: 473 12:09:03 -1076.024486 2.843886 BFGS: 474 12:09:04 -1076.268546 2.352351 BFGS: 475 12:09:04 -1076.462172 1.858186 BFGS: 476 12:09:04 -1076.603813 1.467170 BFGS: 477 12:09:04 -1076.689708 1.052928 BFGS: 478 12:09:04 -1076.718593 0.470452 BFGS: 479 12:09:04 -1076.719140 0.416085 BFGS: 480 12:09:04 -1076.719983 0.222445 BFGS: 481 12:09:04 -1076.720204 0.226746 BFGS: 482 12:09:04 -1076.720463 0.237269 BFGS: 483 12:09:04 -1076.720623 0.229148 BFGS: 484 12:09:04 -1076.720790 0.256884 BFGS: 485 12:09:04 -1076.720868 0.280916 BFGS: 486 12:09:04 -1076.720932 0.318098 BFGS: 487 12:09:04 -1076.720950 0.319964 BFGS: 488 12:09:04 -1076.721008 0.318937 BFGS: 489 12:09:04 -1076.721034 0.313435 BFGS: 490 12:09:04 -1076.721131 0.293257 BFGS: 491 12:09:04 -1076.721292 0.269643 BFGS: 492 12:09:04 -1076.721734 0.310788 BFGS: 493 12:09:05 -1076.722803 0.398423 BFGS: 494 12:09:05 -1076.725687 0.554747 BFGS: 495 12:09:05 -1076.733704 0.938084 BFGS: 496 12:09:05 -1076.753194 1.593504 BFGS: 497 12:09:05 -1076.775009 2.160359 BFGS: 498 12:09:05 -1076.799065 2.704892 BFGS: 499 12:09:05 -1076.820469 3.289746 BFGS: 500 12:09:05 -1076.904744 1.500581 BFGS: 501 12:09:05 -1076.938711 1.674837 BFGS: 502 12:09:05 -1076.972809 1.853658 BFGS: 503 12:09:05 -1077.007088 2.044737 BFGS: 504 12:09:05 -1077.042059 2.293121 BFGS: 505 12:09:05 -1077.077285 2.545830 BFGS: 506 12:09:05 -1077.112618 2.799559 BFGS: 507 12:09:05 -1077.148419 3.049970 BFGS: 508 12:09:05 -1077.185460 3.308928 BFGS: 509 12:09:05 -1077.222668 3.566368 BFGS: 510 12:09:05 -1077.260140 3.822101 BFGS: 511 12:09:05 -1077.297678 4.074347 BFGS: 512 12:09:05 -1077.333809 4.319950 BFGS: 513 12:09:05 -1077.369027 4.561738 BFGS: 514 12:09:05 -1077.403387 4.798673 BFGS: 515 12:09:05 -1077.436302 5.032133 BFGS: 516 12:09:05 -1077.468202 5.259398 BFGS: 517 12:09:05 -1077.499036 5.481536 BFGS: 518 12:09:05 -1077.528745 5.701971 BFGS: 519 12:09:05 -1077.557255 5.917148 BFGS: 520 12:09:06 -1077.585138 6.125005 BFGS: 521 12:09:06 -1077.611713 6.326673 BFGS: 522 12:09:06 -1077.637733 6.529660 BFGS: 523 12:09:06 -1077.662983 6.726155 BFGS: 524 12:09:06 -1077.687676 6.917675 BFGS: 525 12:09:06 -1077.712445 7.103979 BFGS: 526 12:09:06 -1077.736981 7.283529 BFGS: 527 12:09:06 -1077.761931 7.460116 BFGS: 528 12:09:06 -1077.787805 7.631132 BFGS: 529 12:09:06 -1077.814030 7.787457 BFGS: 530 12:09:06 -1077.841009 7.950097 BFGS: 531 12:09:06 -1077.869584 8.112408 BFGS: 532 12:09:06 -1077.899960 8.267785 BFGS: 533 12:09:06 -1077.930874 8.408244 BFGS: 534 12:09:06 -1077.964005 8.549831 BFGS: 535 12:09:06 -1077.998222 8.699662 BFGS: 536 12:09:06 -1078.034550 8.840383 BFGS: 537 12:09:06 -1078.074866 8.977962 BFGS: 538 12:09:06 -1078.117130 9.115342 BFGS: 539 12:09:06 -1078.159900 9.244341 BFGS: 540 12:09:06 -1078.204789 9.371978 BFGS: 541 12:09:06 -1078.250969 9.497498 BFGS: 542 12:09:06 -1078.299031 9.618424 BFGS: 543 12:09:06 -1078.347920 9.737768 BFGS: 544 12:09:06 -1078.400049 9.854175 BFGS: 545 12:09:07 -1078.456693 9.976076 BFGS: 546 12:09:07 -1078.518163 10.089139 BFGS: 547 12:09:07 -1078.580485 10.188471 BFGS: 548 12:09:07 -1078.645268 10.294914 BFGS: 549 12:09:07 -1078.711982 10.395525 BFGS: 550 12:09:07 -1078.782772 10.515457 BFGS: 551 12:09:07 -1078.854303 10.614249 BFGS: 552 12:09:07 -1078.927445 10.713695 BFGS: 553 12:09:07 -1079.001841 10.810656 BFGS: 554 12:09:07 -1079.077220 10.907318 BFGS: 555 12:09:07 -1079.153631 11.004034 BFGS: 556 12:09:07 -1079.231004 11.099571 BFGS: 557 12:09:07 -1079.309381 11.193969 BFGS: 558 12:09:07 -1079.388526 11.289748 BFGS: 559 12:09:07 -1079.468984 11.382596 BFGS: 560 12:09:07 -1079.551452 11.475839 BFGS: 561 12:09:07 -1079.634885 11.579149 BFGS: 562 12:09:07 -1079.717344 11.695530 BFGS: 563 12:09:08 -1079.794223 11.863775 BFGS: 564 12:09:08 -1079.943010 11.489065 BFGS: 565 12:09:08 -1080.069095 11.440886 BFGS: 566 12:09:08 -1080.197402 11.389427 BFGS: 567 12:09:08 -1080.326744 11.480061 BFGS: 568 12:09:08 -1080.455907 11.579279 BFGS: 569 12:09:08 -1080.585463 11.684171 BFGS: 570 12:09:08 -1080.713320 11.805140 BFGS: 571 12:09:08 -1080.839801 11.932449 BFGS: 572 12:09:08 -1080.960192 12.063860 BFGS: 573 12:09:08 -1081.079527 12.172608 BFGS: 574 12:09:08 -1081.218725 12.150887 BFGS: 575 12:09:08 -1081.363692 12.139798 BFGS: 576 12:09:08 -1081.529318 12.086985 BFGS: 577 12:09:08 -1081.704291 12.058188 BFGS: 578 12:09:08 -1081.890506 12.064235 BFGS: 579 12:09:08 -1082.096274 12.087409 BFGS: 580 12:09:08 -1082.311408 12.125518 BFGS: 581 12:09:08 -1082.559820 12.172364 BFGS: 582 12:09:08 -1082.804367 12.260912 BFGS: 583 12:09:08 -1083.072620 12.386650 BFGS: 584 12:09:08 -1083.352202 12.531204 BFGS: 585 12:09:08 -1083.650367 12.698756 BFGS: 586 12:09:08 -1083.917658 12.957641 BFGS: 587 12:09:08 -1084.387312 13.291049 BFGS: 588 12:09:09 -1084.743199 13.306612 BFGS: 589 12:09:09 -1085.122123 13.276183 BFGS: 590 12:09:09 -1085.535925 13.191376 BFGS: 591 12:09:09 -1085.942429 13.173761 BFGS: 592 12:09:09 -1086.325550 13.138799 BFGS: 593 12:09:09 -1086.695597 13.201192 BFGS: 594 12:09:09 -1087.054578 13.231985 BFGS: 595 12:09:09 -1087.405641 13.344296 BFGS: 596 12:09:09 -1087.744100 13.299804 BFGS: 597 12:09:09 -1088.084541 13.400321 BFGS: 598 12:09:09 -1088.411351 13.420254 BFGS: 599 12:09:09 -1088.734713 13.538712 BFGS: 600 12:09:09 -1089.100795 13.365991 BFGS: 601 12:09:09 -1089.443739 13.464582 BFGS: 602 12:09:09 -1089.752638 13.624160 BFGS: 603 12:09:09 -1090.329339 13.287414 BFGS: 604 12:09:09 -1090.848364 12.910482 BFGS: 605 12:09:09 -1091.469837 12.803028 BFGS: 606 12:09:09 -1092.136616 12.594717 BFGS: 607 12:09:09 -1092.821728 12.555849 BFGS: 608 12:09:09 -1093.551292 12.326263 BFGS: 609 12:09:09 -1094.265608 12.965451 BFGS: 610 12:09:09 -1095.045608 13.256232 BFGS: 611 12:09:10 -1095.921037 13.075484 BFGS: 612 12:09:10 -1096.722226 13.231673 BFGS: 613 12:09:10 -1096.582650 23.608898 BFGS: 614 12:09:10 -1097.660204 22.620740 BFGS: 615 12:09:10 -1098.903460 21.475848 BFGS: 616 12:09:10 -1100.206721 19.526705 BFGS: 617 12:09:10 -1101.178501 18.587613 BFGS: 618 12:09:10 -1102.237853 17.397358 BFGS: 619 12:09:10 -1103.681596 15.083267 BFGS: 620 12:09:10 -1104.943396 12.439037 BFGS: 621 12:09:10 -1105.904185 12.022994 BFGS: 622 12:09:10 -1107.000012 12.007450 BFGS: 623 12:09:10 -1108.136005 12.072116 BFGS: 624 12:09:10 -1109.282749 12.533221 BFGS: 625 12:09:10 -1110.433869 13.274027 BFGS: 626 12:09:10 -1111.598374 13.999938 BFGS: 627 12:09:10 -1112.790773 14.716462 BFGS: 628 12:09:10 -1113.997209 15.429955 BFGS: 629 12:09:10 -1115.219037 16.122373 BFGS: 630 12:09:10 -1116.464218 16.782962 BFGS: 631 12:09:10 -1117.733903 17.422989 BFGS: 632 12:09:11 -1119.034444 18.039171 BFGS: 633 12:09:11 -1120.372882 18.651716 BFGS: 634 12:09:11 -1121.743597 19.225222 BFGS: 635 12:09:11 -1123.140785 19.787219 BFGS: 636 12:09:11 -1124.584176 20.302190 BFGS: 637 12:09:11 -1126.073043 20.807314 BFGS: 638 12:09:11 -1127.608496 21.270445 BFGS: 639 12:09:11 -1129.175862 21.729835 BFGS: 640 12:09:11 -1130.800698 22.142125 BFGS: 641 12:09:11 -1132.477586 22.548890 BFGS: 642 12:09:11 -1134.212323 22.915845 BFGS: 643 12:09:11 -1135.988929 23.284019 BFGS: 644 12:09:11 -1137.830613 23.604520 BFGS: 645 12:09:11 -1139.719618 23.929051 BFGS: 646 12:09:11 -1141.684001 24.200086 BFGS: 647 12:09:11 -1143.692944 24.482676 BFGS: 648 12:09:11 -1145.773980 24.718782 BFGS: 649 12:09:11 -1147.904833 24.954615 BFGS: 650 12:09:11 -1150.105559 25.131385 BFGS: 651 12:09:11 -1152.342707 25.336105 BFGS: 652 12:09:11 -1154.666333 25.437507 BFGS: 653 12:09:12 -1156.970120 25.629758 BFGS: 654 12:09:12 -1159.454471 25.581033 BFGS: 655 12:09:12 -1161.773747 25.795063 BFGS: 656 12:09:12 -1164.300082 25.672478 BFGS: 657 12:09:12 -1166.649270 25.776404 BFGS: 658 12:09:12 -1169.080172 25.664992 BFGS: 659 12:09:12 -1171.352153 25.643136 BFGS: 660 12:09:12 -1173.608232 25.462387 BFGS: 661 12:09:12 -1175.719723 25.294576 BFGS: 662 12:09:12 -1177.746838 24.965556 BFGS: 663 12:09:12 -1179.606677 24.597163 BFGS: 664 12:09:12 -1181.323029 24.064285 BFGS: 665 12:09:12 -1182.837523 23.395102 BFGS: 666 12:09:12 -1184.189184 22.370434 BFGS: 667 12:09:12 -1185.320000 21.186612 BFGS: 668 12:09:12 -1186.334912 19.377353 BFGS: 669 12:09:12 -1187.229718 16.975796 BFGS: 670 12:09:12 -1188.259799 15.361710 BFGS: 671 12:09:12 -1189.218098 13.618193 BFGS: 672 12:09:13 -1190.151342 11.615661 BFGS: 673 12:09:13 -1190.810930 9.967724 BFGS: 674 12:09:13 -1191.296572 8.872973 BFGS: 675 12:09:13 -1191.646785 8.568876 BFGS: 676 12:09:13 -1191.916202 8.517727 BFGS: 677 12:09:13 -1192.132460 8.497735 BFGS: 678 12:09:13 -1192.320634 8.470735 BFGS: 679 12:09:13 -1192.493492 8.474436 BFGS: 680 12:09:13 -1192.659881 8.497363 BFGS: 681 12:09:13 -1192.825123 8.550233 BFGS: 682 12:09:13 -1192.991585 8.621036 BFGS: 683 12:09:13 -1193.162442 8.731069 BFGS: 684 12:09:13 -1193.339194 8.916799 BFGS: 685 12:09:13 -1193.523339 9.331024 BFGS: 686 12:09:13 -1193.718496 9.727743 BFGS: 687 12:09:13 -1193.929986 10.116572 BFGS: 688 12:09:13 -1194.165018 10.468070 BFGS: 689 12:09:13 -1194.453070 10.757654 BFGS: 690 12:09:14 -1194.832964 10.929597 BFGS: 691 12:09:14 -1195.479038 10.765095 BFGS: 692 12:09:14 -1196.509051 11.335486 BFGS: 693 12:09:14 -1197.555631 11.766066 BFGS: 694 12:09:14 -1198.657858 13.332930 BFGS: 695 12:09:14 -1199.770823 14.722262 BFGS: 696 12:09:14 -1200.863347 15.973269 BFGS: 697 12:09:14 -1201.934082 17.090229 BFGS: 698 12:09:14 -1203.020726 18.130091 BFGS: 699 12:09:14 -1204.121847 19.103942 BFGS: 700 12:09:14 -1205.262063 20.032657 BFGS: 701 12:09:14 -1206.461731 20.966155 BFGS: 702 12:09:14 -1207.732849 22.435558 BFGS: 703 12:09:14 -1209.111853 25.034676 BFGS: 704 12:09:14 -1210.552685 27.793451 BFGS: 705 12:09:14 -1211.993176 30.515184 BFGS: 706 12:09:14 -1213.461972 33.231755 BFGS: 707 12:09:14 -1214.984135 36.065448 BFGS: 708 12:09:15 -1216.579097 38.960214 BFGS: 709 12:09:15 -1218.249698 41.930449 BFGS: 710 12:09:15 -1219.905366 44.621842 BFGS: 711 12:09:15 -1221.417085 46.524975 BFGS: 712 12:09:15 -1222.822434 47.593579 BFGS: 713 12:09:15 -1224.295554 48.202021 BFGS: 714 12:09:15 -1225.914908 47.158455 BFGS: 715 12:09:15 -1228.162951 46.139141 BFGS: 716 12:09:15 -1230.307393 42.318311 BFGS: 717 12:09:15 -1233.764542 38.392094 BFGS: 718 12:09:15 -1239.920704 28.897316 BFGS: 719 12:09:15 -1243.584469 27.934222 BFGS: 720 12:09:15 -1246.429068 26.086183 BFGS: 721 12:09:15 -1248.267442 24.440568 BFGS: 722 12:09:15 -1249.680777 22.791657 BFGS: 723 12:09:15 -1250.962760 21.121851 BFGS: 724 12:09:15 -1252.008223 19.409791 BFGS: 725 12:09:15 -1252.947639 17.663984 BFGS: 726 12:09:16 -1253.705096 15.872101 BFGS: 727 12:09:16 -1254.339220 14.038133 BFGS: 728 12:09:16 -1254.814460 12.947988 BFGS: 729 12:09:16 -1255.169701 13.790374 BFGS: 730 12:09:16 -1255.418359 14.516190 BFGS: 731 12:09:16 -1255.615449 14.902143 BFGS: 732 12:09:16 -1255.987895 14.831008 BFGS: 733 12:09:16 -1256.353173 14.909946 BFGS: 734 12:09:16 -1256.793921 15.969773 BFGS: 735 12:09:16 -1257.205722 16.832862 BFGS: 736 12:09:16 -1257.899055 17.544715 BFGS: 737 12:09:16 -1258.609741 18.148022 BFGS: 738 12:09:16 -1259.399240 18.108496 BFGS: 739 12:09:16 -1260.143682 18.113906 BFGS: 740 12:09:16 -1261.881712 18.651631 BFGS: 741 12:09:16 -1263.694712 19.177342 BFGS: 742 12:09:16 -1265.487165 22.798786 BFGS: 743 12:09:16 -1267.461801 27.579672 BFGS: 744 12:09:16 -1269.234860 30.870270 BFGS: 745 12:09:17 -1270.709252 31.846146 BFGS: 746 12:09:17 -1272.037592 27.256529 BFGS: 747 12:09:17 -1273.722315 22.484844 BFGS: 748 12:09:17 -1274.143709 22.780044 BFGS: 749 12:09:17 -1274.357092 23.079826 BFGS: 750 12:09:17 -1274.736442 23.610067 BFGS: 751 12:09:17 -1275.130756 24.270032 BFGS: 752 12:09:17 -1275.406159 24.451766 BFGS: 753 12:09:17 -1275.729385 24.083530 BFGS: 754 12:09:17 -1276.226184 22.869063 BFGS: 755 12:09:17 -1276.753004 21.316870 BFGS: 756 12:09:17 -1277.242518 19.756089 BFGS: 757 12:09:17 -1277.687366 18.140974 BFGS: 758 12:09:17 -1278.086288 16.929944 BFGS: 759 12:09:17 -1278.475416 15.986649 BFGS: 760 12:09:17 -1278.894232 15.217635 BFGS: 761 12:09:17 -1279.258932 14.929379 BFGS: 762 12:09:18 -1279.567834 14.802117 BFGS: 763 12:09:18 -1279.779728 15.759377 BFGS: 764 12:09:18 -1279.965089 17.104090 BFGS: 765 12:09:18 -1280.144733 18.522642 BFGS: 766 12:09:18 -1280.276152 19.459608 BFGS: 767 12:09:18 -1280.369153 19.913115 BFGS: 768 12:09:18 -1280.449474 20.091995 BFGS: 769 12:09:18 -1280.559197 20.204883 BFGS: 770 12:09:18 -1280.749500 20.399753 BFGS: 771 12:09:18 -1281.174587 21.071237 BFGS: 772 12:09:18 -1281.805802 22.312398 BFGS: 773 12:09:18 -1282.516532 23.650133 BFGS: 774 12:09:18 -1283.900176 25.249762 BFGS: 775 12:09:18 -1285.724293 26.403302 BFGS: 776 12:09:18 -1288.370833 27.512372 BFGS: 777 12:09:18 -1290.043209 31.233434 BFGS: 778 12:09:18 -1293.323389 29.423420 BFGS: 779 12:09:18 -1296.141871 27.648198 BFGS: 780 12:09:18 -1298.260202 27.128042 BFGS: 781 12:09:19 -1300.197111 28.146458 BFGS: 782 12:09:19 -1301.905309 28.599108 BFGS: 783 12:09:19 -1303.708579 29.232485 BFGS: 784 12:09:19 -1305.324265 29.049474 BFGS: 785 12:09:19 -1307.230108 29.617074 BFGS: 786 12:09:19 -1308.890713 29.032897 BFGS: 787 12:09:19 -1310.833919 29.117891 BFGS: 788 12:09:19 -1312.701894 28.505355 BFGS: 789 12:09:19 -1314.760796 28.077722 BFGS: 790 12:09:19 -1316.840769 27.320472 BFGS: 791 12:09:19 -1319.076338 26.592399 BFGS: 792 12:09:19 -1321.396587 25.620400 BFGS: 793 12:09:19 -1323.880515 24.557648 BFGS: 794 12:09:19 -1326.488829 25.080952 BFGS: 795 12:09:19 -1329.277369 26.094296 BFGS: 796 12:09:19 -1332.276955 27.121355 BFGS: 797 12:09:19 -1335.539603 28.190355 BFGS: 798 12:09:19 -1339.114480 29.364636 BFGS: 799 12:09:19 -1343.112753 30.574534 BFGS: 800 12:09:20 -1347.205230 31.807621 BFGS: 801 12:09:20 -1351.052000 32.774338 BFGS: 802 12:09:20 -1354.767323 33.716529 BFGS: 803 12:09:20 -1358.390045 34.308288 BFGS: 804 12:09:20 -1362.006434 35.145755 BFGS: 805 12:09:20 -1365.564904 35.267283 BFGS: 806 12:09:20 -1369.203481 36.275834 BFGS: 807 12:09:20 -1372.727475 36.704466 BFGS: 808 12:09:20 -1376.388323 39.214223 BFGS: 809 12:09:20 -1379.955079 40.757368 BFGS: 810 12:09:20 -1383.620192 42.604028 BFGS: 811 12:09:20 -1387.273381 44.133771 BFGS: 812 12:09:20 -1391.000562 45.517700 BFGS: 813 12:09:20 -1394.759099 46.880122 BFGS: 814 12:09:20 -1398.571691 47.918256 BFGS: 815 12:09:20 -1402.447460 49.051636 BFGS: 816 12:09:20 -1406.390011 49.626289 BFGS: 817 12:09:21 -1410.396357 50.460430 BFGS: 818 12:09:21 -1414.395967 50.274103 BFGS: 819 12:09:21 -1418.502269 50.599220 BFGS: 820 12:09:21 -1422.145916 49.019993 BFGS: 821 12:09:21 -1425.459240 48.012915 BFGS: 822 12:09:21 -1428.227935 45.813266 BFGS: 823 12:09:21 -1431.115873 42.406335 BFGS: 824 12:09:21 -1434.413556 39.433930 BFGS: 825 12:09:21 -1438.132088 32.195262 BFGS: 826 12:09:21 -1441.279684 29.736211 BFGS: 827 12:09:21 -1444.362931 23.691356 BFGS: 828 12:09:21 -1446.813259 20.290022 BFGS: 829 12:09:21 -1449.664661 14.924425 BFGS: 830 12:09:21 -1452.216337 16.646135 BFGS: 831 12:09:21 -1454.078401 15.069502 BFGS: 832 12:09:21 -1455.995311 17.290735 BFGS: 833 12:09:21 -1457.927288 17.878133 BFGS: 834 12:09:22 -1459.595481 20.785762 BFGS: 835 12:09:22 -1461.401552 22.086545 BFGS: 836 12:09:22 -1463.253608 22.412809 BFGS: 837 12:09:22 -1465.217745 21.826723 BFGS: 838 12:09:22 -1467.258900 20.568626 BFGS: 839 12:09:22 -1469.403618 18.701883 BFGS: 840 12:09:22 -1471.645699 16.587564 BFGS: 841 12:09:22 -1473.990718 16.688374 BFGS: 842 12:09:22 -1476.318028 16.839500 BFGS: 843 12:09:22 -1478.602035 17.263797 BFGS: 844 12:09:22 -1480.858069 19.607399 BFGS: 845 12:09:22 -1483.090578 21.925731 BFGS: 846 12:09:22 -1485.290118 24.264481 BFGS: 847 12:09:22 -1487.445098 26.550300 BFGS: 848 12:09:22 -1489.569496 28.907467 BFGS: 849 12:09:23 -1491.686948 31.132143 BFGS: 850 12:09:23 -1493.954860 33.379328 BFGS: 851 12:09:23 -1496.616169 34.862672 BFGS: 852 12:09:23 -1500.303118 35.670785 BFGS: 853 12:09:23 -1503.706177 33.985874 BFGS: 854 12:09:23 -1507.310390 32.355439 BFGS: 855 12:09:23 -1511.154231 31.840682 BFGS: 856 12:09:23 -1515.131841 32.394552 BFGS: 857 12:09:23 -1519.026214 32.997638 BFGS: 858 12:09:23 -1522.668559 31.973152 BFGS: 859 12:09:23 -1525.993917 30.560750 BFGS: 860 12:09:23 -1528.747716 28.539851 BFGS: 861 12:09:23 -1531.165462 26.534030 BFGS: 862 12:09:23 -1533.202612 24.438533 BFGS: 863 12:09:23 -1535.073851 22.554454 BFGS: 864 12:09:24 -1536.733490 20.706555 BFGS: 865 12:09:24 -1538.396765 19.975095 BFGS: 866 12:09:24 -1539.945512 19.695614 BFGS: 867 12:09:24 -1541.604833 19.905955 BFGS: 868 12:09:24 -1543.235959 20.188432 BFGS: 869 12:09:24 -1544.983917 20.938399 BFGS: 870 12:09:24 -1546.767588 22.008272 BFGS: 871 12:09:24 -1548.630185 23.382341 BFGS: 872 12:09:24 -1550.575800 24.938710 BFGS: 873 12:09:24 -1552.645754 26.600139 BFGS: 874 12:09:24 -1554.864782 28.190605 BFGS: 875 12:09:24 -1557.291336 29.617593 BFGS: 876 12:09:24 -1559.962580 30.703848 BFGS: 877 12:09:24 -1563.023928 31.286020 BFGS: 878 12:09:24 -1566.395317 32.671003 BFGS: 879 12:09:24 -1569.735838 34.963269 BFGS: 880 12:09:25 -1573.119713 36.603023 BFGS: 881 12:09:25 -1576.576690 37.668507 BFGS: 882 12:09:25 -1580.124787 38.165703 BFGS: 883 12:09:25 -1583.766521 38.156970 BFGS: 884 12:09:25 -1587.508720 37.635109 BFGS: 885 12:09:25 -1591.346017 36.595643 BFGS: 886 12:09:25 -1595.280861 35.024464 BFGS: 887 12:09:25 -1599.292511 32.897607 BFGS: 888 12:09:25 -1603.356837 30.279271 BFGS: 889 12:09:25 -1607.436654 28.189501 BFGS: 890 12:09:25 -1611.246681 25.851824 BFGS: 891 12:09:25 -1614.440717 24.015905 BFGS: 892 12:09:25 -1617.173053 22.143934 BFGS: 893 12:09:25 -1619.535630 20.169029 BFGS: 894 12:09:25 -1621.587727 17.991243 BFGS: 895 12:09:26 -1623.369216 16.245110 BFGS: 896 12:09:26 -1624.921015 16.506187 BFGS: 897 12:09:26 -1626.283219 16.812976 BFGS: 898 12:09:26 -1627.488283 17.135818 BFGS: 899 12:09:26 -1628.568358 17.444458 BFGS: 900 12:09:26 -1629.573394 17.685934 BFGS: 901 12:09:26 -1630.528413 17.732782 BFGS: 902 12:09:26 -1631.231840 17.548014 BFGS: 903 12:09:26 -1631.840712 17.256033 BFGS: 904 12:09:26 -1632.398636 16.871646 BFGS: 905 12:09:26 -1632.916083 16.420744 BFGS: 906 12:09:26 -1633.393990 15.922716 BFGS: 907 12:09:26 -1633.838178 15.412455 BFGS: 908 12:09:26 -1634.259085 14.864666 BFGS: 909 12:09:26 -1634.674601 14.317356 BFGS: 910 12:09:27 -1635.100353 13.758858 BFGS: 911 12:09:27 -1635.547575 13.180406 BFGS: 912 12:09:27 -1636.024327 12.586655 BFGS: 913 12:09:27 -1636.533826 11.977685 BFGS: 914 12:09:27 -1637.075846 11.332401 BFGS: 915 12:09:27 -1637.650018 10.729025 BFGS: 916 12:09:27 -1638.251960 11.254067 BFGS: 917 12:09:27 -1638.877908 11.653941 BFGS: 918 12:09:27 -1639.527727 11.870200 BFGS: 919 12:09:27 -1640.195460 11.970515 BFGS: 920 12:09:27 -1640.877810 11.853290 BFGS: 921 12:09:27 -1641.567980 11.595521 BFGS: 922 12:09:27 -1642.257186 11.170637 BFGS: 923 12:09:27 -1642.938580 10.575545 BFGS: 924 12:09:28 -1643.601285 9.750196 BFGS: 925 12:09:28 -1644.227812 8.752900 BFGS: 926 12:09:28 -1644.799893 7.488935 BFGS: 927 12:09:28 -1645.289530 5.943741 BFGS: 928 12:09:28 -1645.650794 3.918361 BFGS: 929 12:09:28 -1645.781310 3.491545 BFGS: 930 12:09:28 -1645.815756 3.476192 BFGS: 931 12:09:28 -1645.885490 3.277868 BFGS: 932 12:09:28 -1645.906774 3.117918 BFGS: 933 12:09:28 -1645.937940 2.676802 BFGS: 934 12:09:28 -1645.962148 3.014524 BFGS: 935 12:09:28 -1646.000488 3.579649 BFGS: 936 12:09:28 -1646.027130 3.810985 BFGS: 937 12:09:28 -1646.048059 3.799601 BFGS: 938 12:09:28 -1646.060192 3.670512 BFGS: 939 12:09:29 -1646.071312 3.488752 BFGS: 940 12:09:29 -1646.078013 3.356785 BFGS: 941 12:09:29 -1646.084455 3.209578 BFGS: 942 12:09:29 -1646.087712 3.138812 BFGS: 943 12:09:29 -1646.090017 3.096053 BFGS: 944 12:09:29 -1646.091038 3.093132 BFGS: 945 12:09:29 -1646.091764 3.114039 BFGS: 946 12:09:29 -1646.091967 3.129441 BFGS: 947 12:09:29 -1646.092156 3.159552 BFGS: 948 12:09:29 -1646.092179 3.162277 BFGS: 949 12:09:29 -1646.092198 3.162245 BFGS: 950 12:09:29 -1646.092201 3.160631 BFGS: 951 12:09:29 -1646.092211 3.153220 BFGS: 952 12:09:29 -1646.092218 3.148605 BFGS: 953 12:09:30 -1646.092247 3.134120 BFGS: 954 12:09:30 -1646.092308 3.113196 BFGS: 955 12:09:30 -1646.092478 3.073783 BFGS: 956 12:09:30 -1646.092906 3.007209 BFGS: 957 12:09:30 -1646.094025 2.887321 BFGS: 958 12:09:30 -1646.096818 2.776385 BFGS: 959 12:09:30 -1646.104283 3.115042 BFGS: 960 12:09:30 -1646.122076 3.503775 BFGS: 961 12:09:30 -1646.161175 3.717997 BFGS: 962 12:09:30 -1646.227042 3.203237 BFGS: 963 12:09:30 -1646.292846 1.900838 BFGS: 964 12:09:30 -1646.321200 1.808218 BFGS: 965 12:09:30 -1646.325790 1.760013 BFGS: 966 12:09:30 -1646.326051 1.704984 BFGS: 967 12:09:30 -1646.326110 1.689841 BFGS: 968 12:09:31 -1646.326217 1.660083 BFGS: 969 12:09:31 -1646.326316 1.644842 BFGS: 970 12:09:31 -1646.326761 1.602514 BFGS: 971 12:09:31 -1646.327742 1.548321 BFGS: 972 12:09:31 -1646.330494 1.462353 BFGS: 973 12:09:31 -1646.337524 1.456982 BFGS: 974 12:09:31 -1646.356152 1.564011 BFGS: 975 12:09:31 -1646.404689 2.281738 BFGS: 976 12:09:31 -1646.474293 2.915058 BFGS: 977 12:09:31 -1646.559952 3.394315 BFGS: 978 12:09:31 -1646.658955 3.763630 BFGS: 979 12:09:31 -1646.771026 4.054449 BFGS: 980 12:09:31 -1646.894369 4.287267 BFGS: 981 12:09:31 -1647.028976 4.441166 BFGS: 982 12:09:32 -1647.169820 4.537256 BFGS: 983 12:09:32 -1647.321677 4.577725 BFGS: 984 12:09:32 -1647.481340 4.549185 BFGS: 985 12:09:32 -1647.645877 4.458620 BFGS: 986 12:09:32 -1647.814926 4.296893 BFGS: 987 12:09:32 -1647.980697 4.044554 BFGS: 988 12:09:32 -1648.145040 3.744517 BFGS: 989 12:09:32 -1648.299296 3.374111 BFGS: 990 12:09:32 -1648.438673 2.969430 BFGS: 991 12:09:32 -1648.561290 2.459346 BFGS: 992 12:09:32 -1648.656766 1.865011 BFGS: 993 12:09:32 -1648.725224 1.171304 BFGS: 994 12:09:32 -1648.755225 0.362570 BFGS: 995 12:09:32 -1648.756509 0.173244 BFGS: 996 12:09:33 -1648.756892 0.059501 BFGS: 997 12:09:33 -1648.757111 0.055186 BFGS: 998 12:09:33 -1648.757143 0.024677 BFGS: 999 12:09:33 -1648.757149 0.010770 BFGS: 1000 12:09:33 -1648.757150 0.002119 BFGS: 1001 12:09:33 -1648.757150 0.000668 BFGS: 1002 12:09:33 -1648.757150 0.000174 BFGS: 1003 12:09:33 -1648.757150 0.000033 BFGS: 1004 12:09:33 -1648.757150 0.000008 BFGS: 1005 12:09:33 -1648.757150 0.000002 BFGS: 1006 12:09:33 -1648.757150 0.000000 BFGS: 1007 12:09:33 -1648.757150 0.000000 BFGS: 1008 12:09:33 -1648.757150 0.000000 BFGS: 1009 12:09:33 -1648.757150 0.000000 Minimization converged after 1009 steps. Maximum force component: 1.2131575902218136e-08 eV/Angstrom Maximum stress component: 2.3575535713525875e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 2.50000000e-01 2.50000000e-01] [1.00000000e+00 2.50000000e-01 4.52367188e-01] [5.00000000e-01 7.50000000e-01 9.52367188e-01] [1.33888601e-12 7.50000000e-01 5.47632812e-01] [5.00000000e-01 2.50000000e-01 4.76328120e-02] [8.34039777e-01 2.50000000e-01 5.83936760e-01] [6.65960223e-01 7.50000000e-01 8.39367604e-02] [1.65960223e-01 7.50000000e-01 4.16063240e-01] [3.34039777e-01 2.50000000e-01 9.16063240e-01] [6.62024242e-01 2.50000000e-01 4.56135521e-01] [8.37975758e-01 7.50000000e-01 9.56135521e-01] [3.37975758e-01 7.50000000e-01 5.43864479e-01] [1.62024242e-01 2.50000000e-01 4.38644791e-02] [5.00000000e-01 2.50000000e-01 5.92709694e-01] [1.00000000e+00 7.50000000e-01 9.27096936e-02] [5.00000000e-01 7.50000000e-01 4.07290306e-01] [1.12807634e-12 2.50000000e-01 9.07290306e-01] [3.37975758e-01 2.50000000e-01 4.56135521e-01] [1.62024242e-01 7.50000000e-01 9.56135521e-01] [6.62024242e-01 7.50000000e-01 5.43864479e-01] [8.37975758e-01 2.50000000e-01 4.38644791e-02] [1.65960223e-01 2.50000000e-01 5.83936760e-01] [3.34039777e-01 7.50000000e-01 8.39367604e-02] [8.34039777e-01 7.50000000e-01 4.16063240e-01] [6.65960223e-01 2.50000000e-01 9.16063240e-01]] cellpar = Cell([[4.295222855186002, -4.940281084307221e-34, 0.0], [1.9079438746370078e-35, 2.2773564269699182, 0.0], [0.0, 0.0, 9.043281459948405]]) forces = [[-2.92151995e-10 -2.87442792e-29 1.82306842e-09] [ 2.92151995e-10 -1.14977117e-28 1.82306842e-09] [ 2.92151995e-10 2.87442792e-29 -1.82306842e-09] [-2.92151995e-10 -5.74885585e-29 -1.82306842e-09] [ 9.15953085e-09 -1.05351127e-42 -3.27428256e-09] [-9.15953085e-09 2.29954234e-28 -3.27428256e-09] [-9.15953085e-09 1.05351127e-42 3.27428256e-09] [ 9.15953085e-09 2.29954234e-28 3.27428256e-09] [ 9.75817286e-09 2.29954234e-28 -1.30354124e-10] [-9.75817286e-09 1.12236590e-42 -1.30354124e-10] [-9.75817286e-09 2.29954234e-28 1.30354124e-10] [ 9.75817286e-09 -1.12236590e-42 1.30354124e-10] [-1.21315759e-08 2.29954234e-28 -1.32084063e-09] [ 1.21315759e-08 2.29954234e-28 -1.32084063e-09] [ 1.21315759e-08 -1.39535007e-42 1.32084063e-09] [-1.21315759e-08 -2.29954234e-28 1.32084063e-09] [-5.47179110e-09 1.14977117e-28 8.67050819e-10] [ 5.47179110e-09 -6.29354681e-43 8.67050819e-10] [ 5.47179110e-09 -1.14977117e-28 -8.67050819e-10] [-5.47179110e-09 6.29354681e-43 -8.67050819e-10] [-1.29362236e-09 -4.59908468e-28 9.27703772e-10] [ 1.29362236e-09 1.14977117e-28 9.27703772e-10] [ 1.29362236e-09 -2.29954234e-28 -9.27703772e-10] [-1.29362236e-09 -1.14977117e-28 -9.27703772e-10] [-1.15208630e-08 -3.44931351e-28 -5.06733109e-09] [ 1.15208630e-08 -1.32510707e-42 -5.06733109e-09] [ 1.15208630e-08 3.44931351e-28 5.06733109e-09] [-1.15208630e-08 -2.29954234e-28 5.06733109e-09]] stress = [-5.05461132e-10 -5.00279544e-10 -2.35755357e-09 0.00000000e+00 0.00000000e+00 -1.61292332e-31] energy per atom = -58.884183943744155 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is AB6_oP28_62_c_6c, while relaxed is AB6_oI28_74_a_2e2h. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.