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 09:28:01 340.590125 874.9988 BFGS: 1 09:28:01 30.712676 402.8890 BFGS: 2 09:28:01 -124.151414 272.1111 BFGS: 3 09:28:01 -33.712547 583.8947 BFGS: 4 09:28:01 -94.224536 419.0429 BFGS: 5 09:28:01 -149.738530 378.4229 BFGS: 6 09:28:02 -182.808507 305.6292 BFGS: 7 09:28:02 -216.725848 228.0953 BFGS: 8 09:28:02 -252.323694 160.7929 BFGS: 9 09:28:02 -274.137271 123.7935 BFGS: 10 09:28:02 -286.201142 106.0818 BFGS: 11 09:28:02 -296.585229 93.1640 BFGS: 12 09:28:02 -305.150090 83.0607 BFGS: 13 09:28:02 -311.110353 75.7985 BFGS: 14 09:28:02 -315.850861 70.5302 BFGS: 15 09:28:02 -320.243464 66.3676 BFGS: 16 09:28:02 -324.534780 62.8073 BFGS: 17 09:28:02 -328.720088 59.6403 BFGS: 18 09:28:02 -332.749010 56.7133 BFGS: 19 09:28:02 -336.651106 53.9125 BFGS: 20 09:28:02 -340.513124 51.1966 BFGS: 21 09:28:02 -344.413054 48.5327 BFGS: 22 09:28:02 -348.362838 45.9350 BFGS: 23 09:28:02 -352.339306 43.4240 BFGS: 24 09:28:02 -356.313168 41.0021 BFGS: 25 09:28:02 -360.251669 38.6510 BFGS: 26 09:28:02 -364.127348 36.3422 BFGS: 27 09:28:02 -367.920207 34.0538 BFGS: 28 09:28:02 -371.616683 31.7732 BFGS: 29 09:28:02 -375.239824 29.4905 BFGS: 30 09:28:02 -378.824525 27.2275 BFGS: 31 09:28:02 -382.426078 24.9671 BFGS: 32 09:28:02 -385.921252 25.1699 BFGS: 33 09:28:02 -389.049586 29.0728 BFGS: 34 09:28:02 -391.822922 33.0288 BFGS: 35 09:28:02 -394.216791 35.5953 BFGS: 36 09:28:03 -396.539326 38.1682 BFGS: 37 09:28:03 -398.751550 40.1976 BFGS: 38 09:28:03 -400.922710 42.1812 BFGS: 39 09:28:03 -403.037661 44.0202 BFGS: 40 09:28:03 -405.115046 45.8178 BFGS: 41 09:28:03 -407.163422 47.5752 BFGS: 42 09:28:03 -409.191722 49.3276 BFGS: 43 09:28:03 -411.214913 51.0723 BFGS: 44 09:28:03 -413.236961 52.8090 BFGS: 45 09:28:03 -415.262411 54.5260 BFGS: 46 09:28:03 -417.288995 56.1998 BFGS: 47 09:28:03 -419.333486 57.8465 BFGS: 48 09:28:03 -421.390199 59.4477 BFGS: 49 09:28:03 -423.474315 60.9529 BFGS: 50 09:28:03 -425.586576 62.3969 BFGS: 51 09:28:03 -427.730611 63.6726 BFGS: 52 09:28:03 -429.912876 64.8083 BFGS: 53 09:28:03 -432.129215 65.7081 BFGS: 54 09:28:03 -434.386588 66.3505 BFGS: 55 09:28:03 -436.685853 66.6588 BFGS: 56 09:28:03 -439.033054 66.5819 BFGS: 57 09:28:03 -441.243593 66.1476 BFGS: 58 09:28:03 -443.288312 65.4162 BFGS: 59 09:28:03 -445.198203 64.4639 BFGS: 60 09:28:03 -447.002024 63.3449 BFGS: 61 09:28:03 -448.725112 62.1048 BFGS: 62 09:28:03 -450.390878 60.7561 BFGS: 63 09:28:03 -452.016382 59.3339 BFGS: 64 09:28:03 -453.618816 57.7982 BFGS: 65 09:28:03 -455.209840 56.1608 BFGS: 66 09:28:03 -456.794675 54.4006 BFGS: 67 09:28:03 -458.387987 52.5020 BFGS: 68 09:28:03 -459.991854 50.4514 BFGS: 69 09:28:03 -461.617116 48.2241 BFGS: 70 09:28:03 -463.267876 45.7942 BFGS: 71 09:28:03 -464.951588 43.1452 BFGS: 72 09:28:03 -466.667066 40.2461 BFGS: 73 09:28:04 -468.419440 37.1309 BFGS: 74 09:28:04 -470.187378 33.7871 BFGS: 75 09:28:04 -471.977201 32.6703 BFGS: 76 09:28:04 -473.738813 36.0632 BFGS: 77 09:28:04 -475.508123 39.2666 BFGS: 78 09:28:04 -477.201749 43.2837 BFGS: 79 09:28:04 -478.905156 46.3221 BFGS: 80 09:28:04 -480.546695 49.8115 BFGS: 81 09:28:04 -482.174442 52.7475 BFGS: 82 09:28:04 -483.771900 55.6268 BFGS: 83 09:28:04 -485.356217 58.2334 BFGS: 84 09:28:04 -486.928799 60.6955 BFGS: 85 09:28:04 -488.499345 63.1195 BFGS: 86 09:28:04 -490.044121 65.8909 BFGS: 87 09:28:04 -491.528992 69.6041 BFGS: 88 09:28:04 -492.953130 70.8969 BFGS: 89 09:28:04 -494.384527 72.9327 BFGS: 90 09:28:04 -495.869364 74.6707 BFGS: 91 09:28:04 -497.414940 76.6791 BFGS: 92 09:28:04 -499.026549 78.6264 BFGS: 93 09:28:04 -500.690108 80.7078 BFGS: 94 09:28:04 -502.391688 82.7918 BFGS: 95 09:28:04 -504.088436 84.9136 BFGS: 96 09:28:04 -505.698943 86.3239 BFGS: 97 09:28:04 -508.167751 90.8592 BFGS: 98 09:28:04 -510.460751 88.4136 BFGS: 99 09:28:04 -512.896594 86.7355 BFGS: 100 09:28:04 -515.652723 86.4032 BFGS: 101 09:28:04 -518.933662 86.5385 BFGS: 102 09:28:04 -522.525780 86.8973 BFGS: 103 09:28:04 -526.362593 87.1557 BFGS: 104 09:28:05 -530.311097 87.3125 BFGS: 105 09:28:05 -534.302079 87.3274 BFGS: 106 09:28:05 -538.267101 87.2229 BFGS: 107 09:28:05 -542.174636 87.0279 BFGS: 108 09:28:05 -546.011631 86.7411 BFGS: 109 09:28:05 -549.781150 86.4224 BFGS: 110 09:28:05 -553.480988 86.0220 BFGS: 111 09:28:05 -557.132970 85.5518 BFGS: 112 09:28:05 -560.778514 84.9392 BFGS: 113 09:28:05 -564.436315 84.0999 BFGS: 114 09:28:05 -568.157945 83.0107 BFGS: 115 09:28:05 -571.981591 81.7559 BFGS: 116 09:28:05 -575.891761 80.3988 BFGS: 117 09:28:05 -579.813102 79.0465 BFGS: 118 09:28:05 -583.698424 77.7714 BFGS: 119 09:28:05 -587.460234 76.5904 BFGS: 120 09:28:05 -591.049502 75.5353 BFGS: 121 09:28:05 -594.458014 74.5975 BFGS: 122 09:28:05 -599.455850 73.4568 BFGS: 123 09:28:05 -604.085098 72.0321 BFGS: 124 09:28:05 -610.542859 69.1337 BFGS: 125 09:28:05 -616.637650 66.0407 BFGS: 126 09:28:05 -622.599755 62.9209 BFGS: 127 09:28:06 -628.546331 59.7588 BFGS: 128 09:28:06 -634.616575 56.5873 BFGS: 129 09:28:06 -640.898284 53.3375 BFGS: 130 09:28:06 -646.940823 50.2629 BFGS: 131 09:28:06 -652.432356 48.3953 BFGS: 132 09:28:06 -656.892136 47.3044 BFGS: 133 09:28:06 -660.653875 46.5155 BFGS: 134 09:28:06 -663.937927 45.9718 BFGS: 135 09:28:06 -666.986623 45.5077 BFGS: 136 09:28:06 -669.600120 45.2159 BFGS: 137 09:28:06 -672.231735 44.9169 BFGS: 138 09:28:06 -674.502625 44.6573 BFGS: 139 09:28:06 -676.655555 44.4097 BFGS: 140 09:28:06 -678.658035 44.0930 BFGS: 141 09:28:06 -680.559283 43.7271 BFGS: 142 09:28:06 -682.378096 43.2446 BFGS: 143 09:28:06 -684.119057 42.6798 BFGS: 144 09:28:06 -685.808971 41.9740 BFGS: 145 09:28:06 -687.429585 41.1712 BFGS: 146 09:28:06 -689.026707 40.1454 BFGS: 147 09:28:06 -690.541913 39.1223 BFGS: 148 09:28:06 -692.073538 37.7272 BFGS: 149 09:28:07 -693.477806 36.6130 BFGS: 150 09:28:07 -694.976533 34.7364 BFGS: 151 09:28:07 -696.311293 33.4728 BFGS: 152 09:28:07 -697.725554 31.4794 BFGS: 153 09:28:07 -699.065921 29.8170 BFGS: 154 09:28:07 -700.451291 27.7626 BFGS: 155 09:28:07 -701.733835 25.9773 BFGS: 156 09:28:07 -702.904408 24.6185 BFGS: 157 09:28:07 -703.993056 23.3826 BFGS: 158 09:28:07 -705.027751 22.2345 BFGS: 159 09:28:07 -706.016756 21.0441 BFGS: 160 09:28:07 -706.976522 20.0134 BFGS: 161 09:28:07 -707.904719 20.1777 BFGS: 162 09:28:07 -708.783803 20.3550 BFGS: 163 09:28:07 -709.610239 20.5285 BFGS: 164 09:28:07 -710.397159 20.6970 BFGS: 165 09:28:07 -711.110062 20.8678 BFGS: 166 09:28:07 -711.812661 21.0433 BFGS: 167 09:28:07 -712.500651 21.2165 BFGS: 168 09:28:07 -713.172823 21.4096 BFGS: 169 09:28:07 -713.831629 21.5824 BFGS: 170 09:28:07 -714.500598 21.7583 BFGS: 171 09:28:07 -715.152299 21.9327 BFGS: 172 09:28:07 -715.824518 22.0973 BFGS: 173 09:28:07 -716.477910 22.2743 BFGS: 174 09:28:07 -717.169849 22.4589 BFGS: 175 09:28:08 -717.901437 22.6507 BFGS: 176 09:28:08 -718.691560 22.8607 BFGS: 177 09:28:08 -719.527858 23.0689 BFGS: 178 09:28:08 -720.419017 23.2847 BFGS: 179 09:28:08 -721.404606 23.5072 BFGS: 180 09:28:08 -722.564199 23.7534 BFGS: 181 09:28:08 -723.679405 24.0015 BFGS: 182 09:28:08 -724.796570 24.3067 BFGS: 183 09:28:08 -725.896185 24.6738 BFGS: 184 09:28:08 -726.965689 25.1199 BFGS: 185 09:28:08 -727.988861 25.6108 BFGS: 186 09:28:08 -728.975883 26.1646 BFGS: 187 09:28:08 -729.894382 26.7821 BFGS: 188 09:28:08 -730.776001 27.4724 BFGS: 189 09:28:08 -731.585496 28.2414 BFGS: 190 09:28:08 -732.402084 29.1289 BFGS: 191 09:28:08 -733.155585 30.1497 BFGS: 192 09:28:08 -734.009334 31.3160 BFGS: 193 09:28:08 -734.786755 32.6536 BFGS: 194 09:28:08 -735.747612 34.0459 BFGS: 195 09:28:08 -736.709385 35.7235 BFGS: 196 09:28:08 -737.875233 37.4272 BFGS: 197 09:28:08 -739.171357 39.3078 BFGS: 198 09:28:08 -740.649042 41.1602 BFGS: 199 09:28:08 -742.481330 43.1403 BFGS: 200 09:28:09 -744.335469 44.8974 BFGS: 201 09:28:09 -746.575917 46.4857 BFGS: 202 09:28:09 -749.010551 47.5383 BFGS: 203 09:28:09 -751.482624 47.7458 BFGS: 204 09:28:09 -754.039324 55.0795 BFGS: 205 09:28:09 -756.521028 62.3999 BFGS: 206 09:28:09 -759.013635 69.8837 BFGS: 207 09:28:09 -760.907676 75.3585 BFGS: 208 09:28:09 -762.497345 77.7717 BFGS: 209 09:28:09 -764.352112 74.2308 BFGS: 210 09:28:09 -766.817688 61.8424 BFGS: 211 09:28:09 -769.464195 45.8420 BFGS: 212 09:28:09 -772.254760 45.1893 BFGS: 213 09:28:09 -773.755286 44.4428 BFGS: 214 09:28:09 -775.509127 33.9983 BFGS: 215 09:28:09 -777.743491 30.6818 BFGS: 216 09:28:09 -780.974520 27.8366 BFGS: 217 09:28:09 -784.005964 29.5395 BFGS: 218 09:28:09 -785.478502 31.2410 BFGS: 219 09:28:09 -786.684759 32.7048 BFGS: 220 09:28:09 -787.843836 33.9665 BFGS: 221 09:28:09 -788.999223 35.0551 BFGS: 222 09:28:09 -790.155945 35.9555 BFGS: 223 09:28:09 -791.311671 36.6462 BFGS: 224 09:28:09 -792.457033 37.1051 BFGS: 225 09:28:09 -793.582428 37.3037 BFGS: 226 09:28:09 -794.674499 37.2065 BFGS: 227 09:28:09 -795.719826 36.7712 BFGS: 228 09:28:09 -796.708482 35.9602 BFGS: 229 09:28:09 -797.628590 34.6951 BFGS: 230 09:28:09 -798.469282 32.9112 BFGS: 231 09:28:09 -799.219111 30.4991 BFGS: 232 09:28:10 -799.866683 28.4162 BFGS: 233 09:28:10 -800.402537 28.3311 BFGS: 234 09:28:10 -800.814282 27.6179 BFGS: 235 09:28:10 -801.173204 26.0608 BFGS: 236 09:28:10 -801.736208 23.1765 BFGS: 237 09:28:10 -802.652227 23.7394 BFGS: 238 09:28:10 -804.033330 25.0629 BFGS: 239 09:28:10 -805.723250 25.9935 BFGS: 240 09:28:10 -807.110415 26.2178 BFGS: 241 09:28:10 -808.451069 26.9804 BFGS: 242 09:28:10 -809.741712 27.5995 BFGS: 243 09:28:10 -811.122344 29.0208 BFGS: 244 09:28:10 -812.541525 30.5110 BFGS: 245 09:28:10 -814.182892 33.0976 BFGS: 246 09:28:10 -816.152835 35.2396 BFGS: 247 09:28:10 -818.540253 36.7218 BFGS: 248 09:28:10 -821.434062 37.5283 BFGS: 249 09:28:10 -824.941284 37.7907 BFGS: 250 09:28:10 -829.143013 37.5955 BFGS: 251 09:28:10 -833.426961 37.2600 BFGS: 252 09:28:10 -837.409050 37.0657 BFGS: 253 09:28:10 -840.953551 36.8257 BFGS: 254 09:28:10 -843.978948 36.5673 BFGS: 255 09:28:10 -846.612586 36.3173 BFGS: 256 09:28:10 -848.982946 36.0231 BFGS: 257 09:28:10 -851.250659 35.6669 BFGS: 258 09:28:10 -853.424662 35.1818 BFGS: 259 09:28:10 -855.499627 34.5863 BFGS: 260 09:28:10 -857.662284 33.9855 BFGS: 261 09:28:10 -859.753266 33.3117 BFGS: 262 09:28:10 -861.783639 32.5109 BFGS: 263 09:28:10 -863.680142 31.5973 BFGS: 264 09:28:11 -865.368729 30.5439 BFGS: 265 09:28:11 -866.795622 29.3865 BFGS: 266 09:28:11 -868.233156 29.5742 BFGS: 267 09:28:11 -870.083017 33.2048 BFGS: 268 09:28:11 -872.291978 36.4518 BFGS: 269 09:28:11 -874.918892 39.4242 BFGS: 270 09:28:11 -877.828743 41.5126 BFGS: 271 09:28:11 -881.120732 43.3220 BFGS: 272 09:28:11 -884.230057 44.0311 BFGS: 273 09:28:11 -887.229339 44.5415 BFGS: 274 09:28:11 -890.019926 44.3485 BFGS: 275 09:28:11 -892.739937 44.0419 BFGS: 276 09:28:11 -895.230661 43.3450 BFGS: 277 09:28:11 -897.715547 42.4800 BFGS: 278 09:28:11 -900.055286 41.3994 BFGS: 279 09:28:11 -902.568248 40.2086 BFGS: 280 09:28:11 -905.208888 38.8320 BFGS: 281 09:28:11 -908.655698 37.5139 BFGS: 282 09:28:11 -913.037281 40.5613 BFGS: 283 09:28:11 -917.854674 45.7663 BFGS: 284 09:28:11 -923.286437 48.6536 BFGS: 285 09:28:11 -928.821683 51.4643 BFGS: 286 09:28:11 -935.277286 47.7263 BFGS: 287 09:28:11 -941.390301 43.5531 BFGS: 288 09:28:11 -945.065992 33.2303 BFGS: 289 09:28:11 -946.927658 28.1127 BFGS: 290 09:28:11 -948.460161 22.7583 BFGS: 291 09:28:11 -949.741937 18.7558 BFGS: 292 09:28:11 -950.787600 14.4106 BFGS: 293 09:28:11 -951.574551 10.5419 BFGS: 294 09:28:11 -952.071753 9.1042 BFGS: 295 09:28:11 -952.245853 8.5509 BFGS: 296 09:28:11 -952.310606 8.7622 BFGS: 297 09:28:11 -952.387659 9.8381 BFGS: 298 09:28:11 -952.524962 11.7306 BFGS: 299 09:28:11 -952.608308 12.0704 BFGS: 300 09:28:12 -952.786145 11.8488 BFGS: 301 09:28:12 -952.978511 10.5570 BFGS: 302 09:28:12 -953.360797 8.7948 BFGS: 303 09:28:12 -953.661595 7.6430 BFGS: 304 09:28:12 -954.037236 7.5561 BFGS: 305 09:28:12 -954.416076 8.4163 BFGS: 306 09:28:12 -954.770837 10.1219 BFGS: 307 09:28:12 -955.025514 11.6847 BFGS: 308 09:28:12 -955.299163 11.8468 BFGS: 309 09:28:12 -955.720371 11.9135 BFGS: 310 09:28:12 -956.441169 14.0142 BFGS: 311 09:28:12 -957.356558 15.6209 BFGS: 312 09:28:12 -958.283577 16.7358 BFGS: 313 09:28:12 -959.269372 21.4938 BFGS: 314 09:28:12 -960.466930 26.0205 BFGS: 315 09:28:12 -962.203844 29.7493 BFGS: 316 09:28:12 -964.281245 31.3325 BFGS: 317 09:28:12 -966.329669 31.9085 BFGS: 318 09:28:12 -968.558263 31.8812 BFGS: 319 09:28:12 -971.055276 32.1421 BFGS: 320 09:28:12 -973.715358 32.0078 BFGS: 321 09:28:12 -976.638828 32.4860 BFGS: 322 09:28:12 -979.602450 32.7733 BFGS: 323 09:28:12 -982.510464 35.2951 BFGS: 324 09:28:12 -985.111280 37.1027 BFGS: 325 09:28:12 -987.413073 38.4422 BFGS: 326 09:28:12 -989.484775 39.2441 BFGS: 327 09:28:12 -991.440079 39.7386 BFGS: 328 09:28:12 -993.355277 39.9275 BFGS: 329 09:28:12 -995.294176 39.9987 BFGS: 330 09:28:12 -997.272201 39.6848 BFGS: 331 09:28:12 -999.354011 39.3851 BFGS: 332 09:28:12 -1001.515532 38.0087 BFGS: 333 09:28:12 -1003.811017 38.3864 BFGS: 334 09:28:12 -1006.128046 35.6257 BFGS: 335 09:28:13 -1008.704385 33.9532 BFGS: 336 09:28:13 -1011.742844 29.6118 BFGS: 337 09:28:13 -1014.659299 26.3128 BFGS: 338 09:28:13 -1017.014253 26.5745 BFGS: 339 09:28:13 -1019.075741 26.7113 BFGS: 340 09:28:13 -1020.984797 25.5839 BFGS: 341 09:28:13 -1022.408172 24.5585 BFGS: 342 09:28:13 -1023.468884 23.3567 BFGS: 343 09:28:13 -1024.360803 22.3203 BFGS: 344 09:28:13 -1025.133008 21.3441 BFGS: 345 09:28:13 -1025.807497 20.4473 BFGS: 346 09:28:13 -1026.379487 19.5599 BFGS: 347 09:28:13 -1026.847519 18.6440 BFGS: 348 09:28:13 -1027.227811 17.6507 BFGS: 349 09:28:13 -1027.523473 16.5928 BFGS: 350 09:28:13 -1027.758616 15.3819 BFGS: 351 09:28:13 -1027.938969 15.3255 BFGS: 352 09:28:13 -1028.066996 16.9451 BFGS: 353 09:28:13 -1028.149622 17.0604 BFGS: 354 09:28:13 -1028.220739 17.8859 BFGS: 355 09:28:13 -1028.284243 18.3604 BFGS: 356 09:28:13 -1028.326178 19.0367 BFGS: 357 09:28:13 -1028.380366 19.6389 BFGS: 358 09:28:13 -1028.459967 19.9006 BFGS: 359 09:28:13 -1028.636637 19.8841 BFGS: 360 09:28:13 -1029.008043 19.2738 BFGS: 361 09:28:13 -1029.814564 17.8260 BFGS: 362 09:28:13 -1030.951443 16.9776 BFGS: 363 09:28:13 -1032.412593 16.4018 BFGS: 364 09:28:13 -1033.779936 15.0159 BFGS: 365 09:28:13 -1034.981313 10.0495 BFGS: 366 09:28:13 -1035.346201 8.9095 BFGS: 367 09:28:13 -1035.450151 7.7598 BFGS: 368 09:28:13 -1035.480259 8.2769 BFGS: 369 09:28:14 -1035.528578 9.2995 BFGS: 370 09:28:14 -1035.561559 9.4060 BFGS: 371 09:28:14 -1035.718706 9.9203 BFGS: 372 09:28:14 -1035.990738 10.8518 BFGS: 373 09:28:14 -1036.483594 9.7475 BFGS: 374 09:28:14 -1036.946588 6.1758 BFGS: 375 09:28:14 -1037.230420 2.5208 BFGS: 376 09:28:14 -1037.290961 1.5165 BFGS: 377 09:28:14 -1037.297274 1.4696 BFGS: 378 09:28:14 -1037.298696 1.5807 BFGS: 379 09:28:14 -1037.301000 1.7583 BFGS: 380 09:28:14 -1037.302927 1.7498 BFGS: 381 09:28:14 -1037.322481 1.6468 BFGS: 382 09:28:14 -1037.354172 2.1615 BFGS: 383 09:28:14 -1037.431525 3.2296 BFGS: 384 09:28:14 -1037.518475 3.9414 BFGS: 385 09:28:14 -1037.614071 4.5011 BFGS: 386 09:28:14 -1037.717099 4.9624 BFGS: 387 09:28:14 -1037.824784 5.3706 BFGS: 388 09:28:14 -1037.936268 5.7379 BFGS: 389 09:28:14 -1038.058259 6.0697 BFGS: 390 09:28:14 -1038.194359 6.3086 BFGS: 391 09:28:14 -1038.345338 6.4778 BFGS: 392 09:28:14 -1038.511077 6.5809 BFGS: 393 09:28:14 -1038.689252 6.6301 BFGS: 394 09:28:14 -1038.877917 6.6398 BFGS: 395 09:28:14 -1039.075963 6.6194 BFGS: 396 09:28:14 -1039.283965 6.5913 BFGS: 397 09:28:14 -1039.499117 6.5571 BFGS: 398 09:28:14 -1039.720708 6.5103 BFGS: 399 09:28:14 -1039.949149 6.4588 BFGS: 400 09:28:14 -1040.183439 6.3983 BFGS: 401 09:28:14 -1040.423725 6.3259 BFGS: 402 09:28:14 -1040.670392 6.2499 BFGS: 403 09:28:15 -1040.922690 6.1706 BFGS: 404 09:28:15 -1041.180564 6.0944 BFGS: 405 09:28:15 -1041.444562 6.0126 BFGS: 406 09:28:15 -1041.714579 5.9459 BFGS: 407 09:28:15 -1041.991156 5.8586 BFGS: 408 09:28:15 -1042.273638 5.7794 BFGS: 409 09:28:15 -1042.562819 5.7020 BFGS: 410 09:28:15 -1042.859786 5.6161 BFGS: 411 09:28:15 -1043.162941 5.5390 BFGS: 412 09:28:15 -1043.473371 5.4640 BFGS: 413 09:28:15 -1043.792040 5.3905 BFGS: 414 09:28:15 -1044.117623 5.3173 BFGS: 415 09:28:15 -1044.450186 5.2441 BFGS: 416 09:28:15 -1044.790072 5.1744 BFGS: 417 09:28:15 -1045.137679 5.1050 BFGS: 418 09:28:15 -1045.492984 5.0382 BFGS: 419 09:28:15 -1045.856234 4.9730 BFGS: 420 09:28:15 -1046.228117 4.9099 BFGS: 421 09:28:15 -1046.609798 4.8745 BFGS: 422 09:28:15 -1047.001179 4.8094 BFGS: 423 09:28:15 -1047.401695 4.7584 BFGS: 424 09:28:15 -1047.812375 4.6911 BFGS: 425 09:28:15 -1048.233642 4.6449 BFGS: 426 09:28:15 -1048.665886 4.5787 BFGS: 427 09:28:15 -1049.107387 4.5280 BFGS: 428 09:28:15 -1049.559020 4.4755 BFGS: 429 09:28:15 -1050.021412 4.4294 BFGS: 430 09:28:15 -1050.494745 4.4073 BFGS: 431 09:28:15 -1050.978500 4.5284 BFGS: 432 09:28:15 -1051.473288 4.6684 BFGS: 433 09:28:15 -1051.980788 4.8016 BFGS: 434 09:28:16 -1052.499371 4.9276 BFGS: 435 09:28:16 -1053.029286 5.0510 BFGS: 436 09:28:16 -1053.570662 5.1760 BFGS: 437 09:28:16 -1054.124147 5.3238 BFGS: 438 09:28:16 -1054.692626 5.4763 BFGS: 439 09:28:16 -1055.273032 5.6021 BFGS: 440 09:28:16 -1055.865035 5.7369 BFGS: 441 09:28:16 -1056.469489 5.8621 BFGS: 442 09:28:16 -1057.086321 5.9896 BFGS: 443 09:28:16 -1057.717022 6.1420 BFGS: 444 09:28:16 -1058.360047 6.2598 BFGS: 445 09:28:16 -1059.013930 6.3799 BFGS: 446 09:28:16 -1059.677581 6.4855 BFGS: 447 09:28:16 -1060.350546 6.5905 BFGS: 448 09:28:16 -1061.032102 6.6824 BFGS: 449 09:28:16 -1061.721184 6.7650 BFGS: 450 09:28:16 -1062.416953 6.8425 BFGS: 451 09:28:16 -1063.118105 6.9035 BFGS: 452 09:28:16 -1063.824621 6.9710 BFGS: 453 09:28:16 -1064.534509 7.0282 BFGS: 454 09:28:16 -1065.246823 7.0544 BFGS: 455 09:28:16 -1065.958773 7.0610 BFGS: 456 09:28:16 -1066.668300 7.0494 BFGS: 457 09:28:16 -1067.374193 7.0265 BFGS: 458 09:28:16 -1068.074876 6.9814 BFGS: 459 09:28:16 -1068.764500 6.8880 BFGS: 460 09:28:16 -1069.443218 6.7915 BFGS: 461 09:28:16 -1070.107433 6.6511 BFGS: 462 09:28:16 -1070.754861 6.4975 BFGS: 463 09:28:17 -1071.382987 6.3050 BFGS: 464 09:28:17 -1071.988729 6.0959 BFGS: 465 09:28:17 -1072.570774 5.8458 BFGS: 466 09:28:17 -1073.125225 5.5704 BFGS: 467 09:28:17 -1073.650156 5.2659 BFGS: 468 09:28:17 -1074.142004 4.9295 BFGS: 469 09:28:17 -1074.599780 4.5808 BFGS: 470 09:28:17 -1075.018457 4.1800 BFGS: 471 09:28:17 -1075.397390 3.7634 BFGS: 472 09:28:17 -1075.733385 3.3148 BFGS: 473 09:28:17 -1076.024486 2.8439 BFGS: 474 09:28:17 -1076.268546 2.3524 BFGS: 475 09:28:17 -1076.462172 1.8582 BFGS: 476 09:28:17 -1076.603813 1.4672 BFGS: 477 09:28:17 -1076.689708 1.0529 BFGS: 478 09:28:17 -1076.718593 0.4705 BFGS: 479 09:28:17 -1076.719140 0.4161 BFGS: 480 09:28:17 -1076.719983 0.2224 BFGS: 481 09:28:17 -1076.720204 0.2267 BFGS: 482 09:28:17 -1076.720463 0.2373 BFGS: 483 09:28:17 -1076.720623 0.2291 BFGS: 484 09:28:17 -1076.720790 0.2569 BFGS: 485 09:28:17 -1076.720868 0.2809 BFGS: 486 09:28:17 -1076.720932 0.3181 BFGS: 487 09:28:17 -1076.720950 0.3200 BFGS: 488 09:28:17 -1076.721008 0.3189 BFGS: 489 09:28:17 -1076.721034 0.3134 BFGS: 490 09:28:18 -1076.721131 0.2933 BFGS: 491 09:28:18 -1076.721292 0.2696 BFGS: 492 09:28:18 -1076.721734 0.3108 BFGS: 493 09:28:18 -1076.722803 0.3984 BFGS: 494 09:28:18 -1076.725687 0.5547 BFGS: 495 09:28:18 -1076.733704 0.9381 BFGS: 496 09:28:18 -1076.753194 1.5935 BFGS: 497 09:28:18 -1076.775009 2.1604 BFGS: 498 09:28:18 -1076.799065 2.7049 BFGS: 499 09:28:18 -1076.820469 3.2897 BFGS: 500 09:28:18 -1076.904744 1.5006 BFGS: 501 09:28:18 -1076.938711 1.6748 BFGS: 502 09:28:18 -1076.972809 1.8537 BFGS: 503 09:28:18 -1077.007088 2.0447 BFGS: 504 09:28:18 -1077.042059 2.2931 BFGS: 505 09:28:18 -1077.077285 2.5458 BFGS: 506 09:28:18 -1077.112618 2.7996 BFGS: 507 09:28:18 -1077.148419 3.0500 BFGS: 508 09:28:18 -1077.185460 3.3089 BFGS: 509 09:28:18 -1077.222668 3.5664 BFGS: 510 09:28:18 -1077.260140 3.8221 BFGS: 511 09:28:18 -1077.297678 4.0743 BFGS: 512 09:28:18 -1077.333809 4.3200 BFGS: 513 09:28:18 -1077.369027 4.5617 BFGS: 514 09:28:18 -1077.403387 4.7987 BFGS: 515 09:28:19 -1077.436302 5.0321 BFGS: 516 09:28:19 -1077.468202 5.2594 BFGS: 517 09:28:19 -1077.499036 5.4815 BFGS: 518 09:28:19 -1077.528745 5.7020 BFGS: 519 09:28:19 -1077.557255 5.9171 BFGS: 520 09:28:19 -1077.585138 6.1250 BFGS: 521 09:28:19 -1077.611713 6.3267 BFGS: 522 09:28:19 -1077.637733 6.5297 BFGS: 523 09:28:19 -1077.662983 6.7262 BFGS: 524 09:28:19 -1077.687676 6.9177 BFGS: 525 09:28:19 -1077.712445 7.1040 BFGS: 526 09:28:19 -1077.736981 7.2835 BFGS: 527 09:28:19 -1077.761931 7.4601 BFGS: 528 09:28:19 -1077.787805 7.6311 BFGS: 529 09:28:19 -1077.814030 7.7875 BFGS: 530 09:28:19 -1077.841009 7.9501 BFGS: 531 09:28:19 -1077.869584 8.1124 BFGS: 532 09:28:19 -1077.899960 8.2678 BFGS: 533 09:28:19 -1077.930874 8.4082 BFGS: 534 09:28:19 -1077.964005 8.5498 BFGS: 535 09:28:19 -1077.998222 8.6997 BFGS: 536 09:28:19 -1078.034550 8.8404 BFGS: 537 09:28:19 -1078.074866 8.9780 BFGS: 538 09:28:19 -1078.117130 9.1153 BFGS: 539 09:28:19 -1078.159900 9.2443 BFGS: 540 09:28:20 -1078.204789 9.3720 BFGS: 541 09:28:20 -1078.250969 9.4975 BFGS: 542 09:28:20 -1078.299031 9.6184 BFGS: 543 09:28:20 -1078.347920 9.7378 BFGS: 544 09:28:20 -1078.400049 9.8542 BFGS: 545 09:28:20 -1078.456693 9.9761 BFGS: 546 09:28:20 -1078.518163 10.0891 BFGS: 547 09:28:20 -1078.580485 10.1885 BFGS: 548 09:28:20 -1078.645268 10.2949 BFGS: 549 09:28:20 -1078.711982 10.3955 BFGS: 550 09:28:20 -1078.782772 10.5155 BFGS: 551 09:28:20 -1078.854303 10.6142 BFGS: 552 09:28:20 -1078.927445 10.7137 BFGS: 553 09:28:20 -1079.001841 10.8107 BFGS: 554 09:28:20 -1079.077220 10.9073 BFGS: 555 09:28:20 -1079.153631 11.0040 BFGS: 556 09:28:20 -1079.231004 11.0996 BFGS: 557 09:28:21 -1079.309381 11.1940 BFGS: 558 09:28:21 -1079.388526 11.2897 BFGS: 559 09:28:21 -1079.468984 11.3826 BFGS: 560 09:28:21 -1079.551452 11.4758 BFGS: 561 09:28:21 -1079.634885 11.5791 BFGS: 562 09:28:21 -1079.717344 11.6955 BFGS: 563 09:28:21 -1079.794223 11.8638 BFGS: 564 09:28:21 -1079.943010 11.4891 BFGS: 565 09:28:21 -1080.069095 11.4409 BFGS: 566 09:28:21 -1080.197402 11.3894 BFGS: 567 09:28:21 -1080.326744 11.4801 BFGS: 568 09:28:21 -1080.455907 11.5793 BFGS: 569 09:28:21 -1080.585463 11.6842 BFGS: 570 09:28:21 -1080.713320 11.8051 BFGS: 571 09:28:21 -1080.839801 11.9324 BFGS: 572 09:28:21 -1080.960192 12.0639 BFGS: 573 09:28:21 -1081.079527 12.1726 BFGS: 574 09:28:21 -1081.218725 12.1509 BFGS: 575 09:28:21 -1081.363692 12.1398 BFGS: 576 09:28:22 -1081.529318 12.0870 BFGS: 577 09:28:22 -1081.704291 12.0582 BFGS: 578 09:28:22 -1081.890506 12.0642 BFGS: 579 09:28:22 -1082.096274 12.0874 BFGS: 580 09:28:22 -1082.311408 12.1255 BFGS: 581 09:28:22 -1082.559820 12.1724 BFGS: 582 09:28:22 -1082.804367 12.2609 BFGS: 583 09:28:22 -1083.072620 12.3866 BFGS: 584 09:28:22 -1083.352202 12.5312 BFGS: 585 09:28:22 -1083.650367 12.6988 BFGS: 586 09:28:22 -1083.917658 12.9576 BFGS: 587 09:28:23 -1084.387312 13.2910 BFGS: 588 09:28:23 -1084.743199 13.3066 BFGS: 589 09:28:23 -1085.122123 13.2762 BFGS: 590 09:28:23 -1085.535925 13.1914 BFGS: 591 09:28:23 -1085.942429 13.1738 BFGS: 592 09:28:23 -1086.325550 13.1388 BFGS: 593 09:28:23 -1086.695597 13.2012 BFGS: 594 09:28:23 -1087.054578 13.2320 BFGS: 595 09:28:23 -1087.405641 13.3443 BFGS: 596 09:28:23 -1087.744100 13.2998 BFGS: 597 09:28:24 -1088.084541 13.4003 BFGS: 598 09:28:24 -1088.411351 13.4203 BFGS: 599 09:28:24 -1088.734713 13.5387 BFGS: 600 09:28:24 -1089.100795 13.3660 BFGS: 601 09:28:24 -1089.443739 13.4646 BFGS: 602 09:28:24 -1089.752638 13.6242 BFGS: 603 09:28:24 -1090.329339 13.2874 BFGS: 604 09:28:24 -1090.848364 12.9105 BFGS: 605 09:28:24 -1091.469837 12.8030 BFGS: 606 09:28:24 -1092.136616 12.5947 BFGS: 607 09:28:25 -1092.821728 12.5558 BFGS: 608 09:28:25 -1093.551292 12.3263 BFGS: 609 09:28:25 -1094.265608 12.9655 BFGS: 610 09:28:25 -1095.045608 13.2562 BFGS: 611 09:28:25 -1095.921037 13.0755 BFGS: 612 09:28:25 -1096.722226 13.2317 BFGS: 613 09:28:25 -1096.582650 23.6089 BFGS: 614 09:28:25 -1097.660204 22.6207 BFGS: 615 09:28:25 -1098.903460 21.4758 BFGS: 616 09:28:25 -1100.206721 19.5267 BFGS: 617 09:28:26 -1101.178501 18.5876 BFGS: 618 09:28:26 -1102.237853 17.3974 BFGS: 619 09:28:26 -1103.681596 15.0833 BFGS: 620 09:28:26 -1104.943396 12.4390 BFGS: 621 09:28:26 -1105.904185 12.0230 BFGS: 622 09:28:26 -1107.000012 12.0075 BFGS: 623 09:28:26 -1108.136005 12.0721 BFGS: 624 09:28:26 -1109.282749 12.5332 BFGS: 625 09:28:26 -1110.433869 13.2740 BFGS: 626 09:28:27 -1111.598374 13.9999 BFGS: 627 09:28:27 -1112.790773 14.7165 BFGS: 628 09:28:27 -1113.997209 15.4300 BFGS: 629 09:28:27 -1115.219037 16.1224 BFGS: 630 09:28:27 -1116.464218 16.7830 BFGS: 631 09:28:27 -1117.733903 17.4230 BFGS: 632 09:28:27 -1119.034444 18.0392 BFGS: 633 09:28:27 -1120.372882 18.6517 BFGS: 634 09:28:27 -1121.743597 19.2252 BFGS: 635 09:28:27 -1123.140785 19.7872 BFGS: 636 09:28:28 -1124.584176 20.3022 BFGS: 637 09:28:28 -1126.073043 20.8073 BFGS: 638 09:28:28 -1127.608496 21.2704 BFGS: 639 09:28:28 -1129.175862 21.7298 BFGS: 640 09:28:28 -1130.800698 22.1421 BFGS: 641 09:28:28 -1132.477586 22.5489 BFGS: 642 09:28:28 -1134.212323 22.9158 BFGS: 643 09:28:28 -1135.988929 23.2840 BFGS: 644 09:28:28 -1137.830613 23.6045 BFGS: 645 09:28:28 -1139.719618 23.9291 BFGS: 646 09:28:29 -1141.684001 24.2001 BFGS: 647 09:28:29 -1143.692944 24.4827 BFGS: 648 09:28:29 -1145.773980 24.7188 BFGS: 649 09:28:29 -1147.904833 24.9546 BFGS: 650 09:28:29 -1150.105559 25.1314 BFGS: 651 09:28:29 -1152.342707 25.3361 BFGS: 652 09:28:29 -1154.666333 25.4375 BFGS: 653 09:28:29 -1156.970120 25.6298 BFGS: 654 09:28:29 -1159.454471 25.5810 BFGS: 655 09:28:29 -1161.773747 25.7951 BFGS: 656 09:28:29 -1164.300082 25.6725 BFGS: 657 09:28:29 -1166.649270 25.7764 BFGS: 658 09:28:29 -1169.080172 25.6650 BFGS: 659 09:28:29 -1171.352153 25.6431 BFGS: 660 09:28:29 -1173.608232 25.4624 BFGS: 661 09:28:29 -1175.719723 25.2946 BFGS: 662 09:28:29 -1177.746838 24.9656 BFGS: 663 09:28:30 -1179.606677 24.5972 BFGS: 664 09:28:30 -1181.323029 24.0643 BFGS: 665 09:28:30 -1182.837523 23.3951 BFGS: 666 09:28:30 -1184.189184 22.3704 BFGS: 667 09:28:30 -1185.320000 21.1866 BFGS: 668 09:28:30 -1186.334912 19.3774 BFGS: 669 09:28:30 -1187.229718 16.9758 BFGS: 670 09:28:30 -1188.259799 15.3617 BFGS: 671 09:28:30 -1189.218098 13.6182 BFGS: 672 09:28:30 -1190.151342 11.6157 BFGS: 673 09:28:30 -1190.810930 9.9677 BFGS: 674 09:28:30 -1191.296572 8.8730 BFGS: 675 09:28:30 -1191.646785 8.5689 BFGS: 676 09:28:30 -1191.916202 8.5177 BFGS: 677 09:28:30 -1192.132460 8.4977 BFGS: 678 09:28:30 -1192.320634 8.4707 BFGS: 679 09:28:30 -1192.493492 8.4744 BFGS: 680 09:28:31 -1192.659881 8.4974 BFGS: 681 09:28:31 -1192.825123 8.5502 BFGS: 682 09:28:31 -1192.991585 8.6210 BFGS: 683 09:28:31 -1193.162442 8.7311 BFGS: 684 09:28:31 -1193.339194 8.9168 BFGS: 685 09:28:31 -1193.523339 9.3310 BFGS: 686 09:28:31 -1193.718496 9.7277 BFGS: 687 09:28:31 -1193.929986 10.1166 BFGS: 688 09:28:31 -1194.165018 10.4681 BFGS: 689 09:28:31 -1194.453070 10.7577 BFGS: 690 09:28:31 -1194.832964 10.9296 BFGS: 691 09:28:31 -1195.479038 10.7651 BFGS: 692 09:28:31 -1196.509051 11.3355 BFGS: 693 09:28:32 -1197.555631 11.7661 BFGS: 694 09:28:32 -1198.657858 13.3329 BFGS: 695 09:28:32 -1199.770823 14.7223 BFGS: 696 09:28:32 -1200.863347 15.9733 BFGS: 697 09:28:32 -1201.934082 17.0902 BFGS: 698 09:28:32 -1203.020726 18.1301 BFGS: 699 09:28:32 -1204.121847 19.1039 BFGS: 700 09:28:32 -1205.262063 20.0327 BFGS: 701 09:28:32 -1206.461731 20.9662 BFGS: 702 09:28:32 -1207.732849 22.4356 BFGS: 703 09:28:32 -1209.111853 25.0347 BFGS: 704 09:28:32 -1210.552685 27.7935 BFGS: 705 09:28:32 -1211.993176 30.5152 BFGS: 706 09:28:32 -1213.461972 33.2318 BFGS: 707 09:28:32 -1214.984135 36.0654 BFGS: 708 09:28:32 -1216.579097 38.9602 BFGS: 709 09:28:32 -1218.249698 41.9304 BFGS: 710 09:28:32 -1219.905366 44.6218 BFGS: 711 09:28:33 -1221.417085 46.5250 BFGS: 712 09:28:33 -1222.822434 47.5936 BFGS: 713 09:28:33 -1224.295554 48.2020 BFGS: 714 09:28:33 -1225.914908 47.1585 BFGS: 715 09:28:33 -1228.162951 46.1391 BFGS: 716 09:28:33 -1230.307393 42.3183 BFGS: 717 09:28:33 -1233.764542 38.3921 BFGS: 718 09:28:33 -1239.920704 28.8973 BFGS: 719 09:28:33 -1243.584469 27.9342 BFGS: 720 09:28:33 -1246.429068 26.0862 BFGS: 721 09:28:33 -1248.267442 24.4406 BFGS: 722 09:28:33 -1249.680777 22.7917 BFGS: 723 09:28:33 -1250.962760 21.1219 BFGS: 724 09:28:33 -1252.008223 19.4098 BFGS: 725 09:28:33 -1252.947639 17.6640 BFGS: 726 09:28:33 -1253.705096 15.8721 BFGS: 727 09:28:34 -1254.339220 14.0381 BFGS: 728 09:28:34 -1254.814460 12.9480 BFGS: 729 09:28:34 -1255.169701 13.7904 BFGS: 730 09:28:34 -1255.418359 14.5162 BFGS: 731 09:28:34 -1255.615449 14.9021 BFGS: 732 09:28:34 -1255.987895 14.8310 BFGS: 733 09:28:34 -1256.353173 14.9099 BFGS: 734 09:28:34 -1256.793921 15.9698 BFGS: 735 09:28:34 -1257.205722 16.8329 BFGS: 736 09:28:34 -1257.899055 17.5447 BFGS: 737 09:28:34 -1258.609741 18.1480 BFGS: 738 09:28:34 -1259.399240 18.1085 BFGS: 739 09:28:34 -1260.143682 18.1139 BFGS: 740 09:28:34 -1261.881712 18.6516 BFGS: 741 09:28:34 -1263.694712 19.1773 BFGS: 742 09:28:35 -1265.487165 22.7988 BFGS: 743 09:28:35 -1267.461801 27.5797 BFGS: 744 09:28:35 -1269.234860 30.8703 BFGS: 745 09:28:35 -1270.709252 31.8461 BFGS: 746 09:28:35 -1272.037592 27.2565 BFGS: 747 09:28:35 -1273.722315 22.4848 BFGS: 748 09:28:35 -1274.143709 22.7800 BFGS: 749 09:28:35 -1274.357092 23.0798 BFGS: 750 09:28:35 -1274.736442 23.6101 BFGS: 751 09:28:35 -1275.130756 24.2700 BFGS: 752 09:28:35 -1275.406159 24.4518 BFGS: 753 09:28:35 -1275.729385 24.0835 BFGS: 754 09:28:35 -1276.226184 22.8691 BFGS: 755 09:28:35 -1276.753004 21.3169 BFGS: 756 09:28:35 -1277.242518 19.7561 BFGS: 757 09:28:35 -1277.687366 18.1410 BFGS: 758 09:28:35 -1278.086288 16.9299 BFGS: 759 09:28:36 -1278.475416 15.9866 BFGS: 760 09:28:36 -1278.894232 15.2176 BFGS: 761 09:28:36 -1279.258932 14.9294 BFGS: 762 09:28:36 -1279.567834 14.8021 BFGS: 763 09:28:36 -1279.779728 15.7594 BFGS: 764 09:28:36 -1279.965089 17.1041 BFGS: 765 09:28:36 -1280.144733 18.5226 BFGS: 766 09:28:36 -1280.276152 19.4596 BFGS: 767 09:28:36 -1280.369153 19.9131 BFGS: 768 09:28:36 -1280.449474 20.0920 BFGS: 769 09:28:36 -1280.559197 20.2049 BFGS: 770 09:28:36 -1280.749500 20.3998 BFGS: 771 09:28:37 -1281.174587 21.0712 BFGS: 772 09:28:37 -1281.805802 22.3124 BFGS: 773 09:28:37 -1282.516532 23.6501 BFGS: 774 09:28:37 -1283.900176 25.2498 BFGS: 775 09:28:37 -1285.724293 26.4033 BFGS: 776 09:28:37 -1288.370833 27.5124 BFGS: 777 09:28:37 -1290.043209 31.2334 BFGS: 778 09:28:37 -1293.323389 29.4234 BFGS: 779 09:28:37 -1296.141871 27.6482 BFGS: 780 09:28:37 -1298.260202 27.1280 BFGS: 781 09:28:37 -1300.197111 28.1465 BFGS: 782 09:28:37 -1301.905309 28.5991 BFGS: 783 09:28:37 -1303.708579 29.2325 BFGS: 784 09:28:37 -1305.324265 29.0495 BFGS: 785 09:28:37 -1307.230108 29.6171 BFGS: 786 09:28:37 -1308.890713 29.0329 BFGS: 787 09:28:38 -1310.833919 29.1179 BFGS: 788 09:28:38 -1312.701894 28.5054 BFGS: 789 09:28:38 -1314.760796 28.0777 BFGS: 790 09:28:38 -1316.840769 27.3205 BFGS: 791 09:28:38 -1319.076338 26.5924 BFGS: 792 09:28:38 -1321.396587 25.6204 BFGS: 793 09:28:38 -1323.880515 24.5576 BFGS: 794 09:28:38 -1326.488829 25.0810 BFGS: 795 09:28:38 -1329.277369 26.0943 BFGS: 796 09:28:38 -1332.276955 27.1214 BFGS: 797 09:28:38 -1335.539603 28.1904 BFGS: 798 09:28:38 -1339.114480 29.3646 BFGS: 799 09:28:38 -1343.112753 30.5745 BFGS: 800 09:28:38 -1347.205230 31.8076 BFGS: 801 09:28:38 -1351.052000 32.7743 BFGS: 802 09:28:39 -1354.767323 33.7165 BFGS: 803 09:28:39 -1358.390045 34.3083 BFGS: 804 09:28:39 -1362.006434 35.1458 BFGS: 805 09:28:39 -1365.564904 35.2673 BFGS: 806 09:28:39 -1369.203481 36.2758 BFGS: 807 09:28:39 -1372.727475 36.7045 BFGS: 808 09:28:39 -1376.388323 39.2142 BFGS: 809 09:28:39 -1379.955079 40.7574 BFGS: 810 09:28:39 -1383.620192 42.6040 BFGS: 811 09:28:39 -1387.273381 44.1338 BFGS: 812 09:28:39 -1391.000562 45.5177 BFGS: 813 09:28:39 -1394.759099 46.8801 BFGS: 814 09:28:39 -1398.571691 47.9183 BFGS: 815 09:28:39 -1402.447460 49.0516 BFGS: 816 09:28:40 -1406.390011 49.6263 BFGS: 817 09:28:40 -1410.396357 50.4604 BFGS: 818 09:28:40 -1414.395967 50.2741 BFGS: 819 09:28:40 -1418.502269 50.5992 BFGS: 820 09:28:40 -1422.145916 49.0200 BFGS: 821 09:28:40 -1425.459240 48.0129 BFGS: 822 09:28:40 -1428.227935 45.8133 BFGS: 823 09:28:40 -1431.115873 42.4063 BFGS: 824 09:28:40 -1434.413556 39.4339 BFGS: 825 09:28:40 -1438.132088 32.1953 BFGS: 826 09:28:40 -1441.279684 29.7362 BFGS: 827 09:28:41 -1444.362931 23.6914 BFGS: 828 09:28:41 -1446.813259 20.2900 BFGS: 829 09:28:41 -1449.664661 14.9244 BFGS: 830 09:28:41 -1452.216337 16.6461 BFGS: 831 09:28:41 -1454.078401 15.0695 BFGS: 832 09:28:41 -1455.995311 17.2907 BFGS: 833 09:28:41 -1457.927288 17.8781 BFGS: 834 09:28:41 -1459.595481 20.7858 BFGS: 835 09:28:41 -1461.401552 22.0865 BFGS: 836 09:28:41 -1463.253608 22.4128 BFGS: 837 09:28:41 -1465.217745 21.8267 BFGS: 838 09:28:42 -1467.258900 20.5686 BFGS: 839 09:28:42 -1469.403618 18.7019 BFGS: 840 09:28:42 -1471.645699 16.5876 BFGS: 841 09:28:42 -1473.990718 16.6884 BFGS: 842 09:28:42 -1476.318028 16.8395 BFGS: 843 09:28:42 -1478.602035 17.2638 BFGS: 844 09:28:42 -1480.858069 19.6074 BFGS: 845 09:28:42 -1483.090578 21.9257 BFGS: 846 09:28:42 -1485.290118 24.2645 BFGS: 847 09:28:43 -1487.445098 26.5503 BFGS: 848 09:28:43 -1489.569496 28.9075 BFGS: 849 09:28:43 -1491.686948 31.1321 BFGS: 850 09:28:43 -1493.954860 33.3793 BFGS: 851 09:28:43 -1496.616169 34.8627 BFGS: 852 09:28:43 -1500.303118 35.6708 BFGS: 853 09:28:43 -1503.706177 33.9859 BFGS: 854 09:28:43 -1507.310390 32.3554 BFGS: 855 09:28:43 -1511.154231 31.8407 BFGS: 856 09:28:43 -1515.131841 32.3946 BFGS: 857 09:28:43 -1519.026214 32.9976 BFGS: 858 09:28:43 -1522.668559 31.9732 BFGS: 859 09:28:44 -1525.993917 30.5607 BFGS: 860 09:28:44 -1528.747716 28.5399 BFGS: 861 09:28:44 -1531.165462 26.5340 BFGS: 862 09:28:44 -1533.202612 24.4385 BFGS: 863 09:28:44 -1535.073851 22.5545 BFGS: 864 09:28:44 -1536.733490 20.7066 BFGS: 865 09:28:44 -1538.396765 19.9751 BFGS: 866 09:28:44 -1539.945512 19.6956 BFGS: 867 09:28:44 -1541.604833 19.9060 BFGS: 868 09:28:44 -1543.235959 20.1884 BFGS: 869 09:28:44 -1544.983917 20.9384 BFGS: 870 09:28:44 -1546.767588 22.0083 BFGS: 871 09:28:44 -1548.630185 23.3823 BFGS: 872 09:28:44 -1550.575800 24.9387 BFGS: 873 09:28:44 -1552.645754 26.6001 BFGS: 874 09:28:44 -1554.864782 28.1906 BFGS: 875 09:28:45 -1557.291336 29.6176 BFGS: 876 09:28:45 -1559.962580 30.7038 BFGS: 877 09:28:45 -1563.023928 31.2860 BFGS: 878 09:28:45 -1566.395317 32.6710 BFGS: 879 09:28:45 -1569.735838 34.9633 BFGS: 880 09:28:45 -1573.119713 36.6030 BFGS: 881 09:28:45 -1576.576690 37.6685 BFGS: 882 09:28:45 -1580.124787 38.1657 BFGS: 883 09:28:45 -1583.766521 38.1570 BFGS: 884 09:28:45 -1587.508720 37.6351 BFGS: 885 09:28:45 -1591.346017 36.5956 BFGS: 886 09:28:46 -1595.280861 35.0245 BFGS: 887 09:28:46 -1599.292511 32.8976 BFGS: 888 09:28:46 -1603.356837 30.2793 BFGS: 889 09:28:46 -1607.436654 28.1895 BFGS: 890 09:28:46 -1611.246681 25.8518 BFGS: 891 09:28:46 -1614.440717 24.0159 BFGS: 892 09:28:46 -1617.173053 22.1439 BFGS: 893 09:28:46 -1619.535630 20.1690 BFGS: 894 09:28:46 -1621.587727 17.9912 BFGS: 895 09:28:46 -1623.369216 16.2451 BFGS: 896 09:28:46 -1624.921015 16.5062 BFGS: 897 09:28:46 -1626.283219 16.8130 BFGS: 898 09:28:47 -1627.488283 17.1358 BFGS: 899 09:28:47 -1628.568358 17.4445 BFGS: 900 09:28:47 -1629.573394 17.6859 BFGS: 901 09:28:47 -1630.528413 17.7328 BFGS: 902 09:28:47 -1631.231840 17.5480 BFGS: 903 09:28:47 -1631.840712 17.2560 BFGS: 904 09:28:47 -1632.398636 16.8716 BFGS: 905 09:28:47 -1632.916083 16.4207 BFGS: 906 09:28:47 -1633.393990 15.9227 BFGS: 907 09:28:47 -1633.838178 15.4125 BFGS: 908 09:28:47 -1634.259085 14.8647 BFGS: 909 09:28:47 -1634.674601 14.3174 BFGS: 910 09:28:47 -1635.100353 13.7589 BFGS: 911 09:28:47 -1635.547575 13.1804 BFGS: 912 09:28:48 -1636.024327 12.5867 BFGS: 913 09:28:48 -1636.533826 11.9777 BFGS: 914 09:28:48 -1637.075846 11.3324 BFGS: 915 09:28:48 -1637.650018 10.7290 BFGS: 916 09:28:48 -1638.251960 11.2541 BFGS: 917 09:28:48 -1638.877908 11.6539 BFGS: 918 09:28:48 -1639.527727 11.8702 BFGS: 919 09:28:48 -1640.195460 11.9705 BFGS: 920 09:28:48 -1640.877810 11.8533 BFGS: 921 09:28:48 -1641.567980 11.5955 BFGS: 922 09:28:49 -1642.257186 11.1706 BFGS: 923 09:28:49 -1642.938580 10.5755 BFGS: 924 09:28:49 -1643.601285 9.7502 BFGS: 925 09:28:49 -1644.227812 8.7529 BFGS: 926 09:28:49 -1644.799893 7.4889 BFGS: 927 09:28:49 -1645.289530 5.9437 BFGS: 928 09:28:49 -1645.650794 3.9184 BFGS: 929 09:28:49 -1645.781310 3.4915 BFGS: 930 09:28:49 -1645.815756 3.4762 BFGS: 931 09:28:49 -1645.885490 3.2779 BFGS: 932 09:28:50 -1645.906774 3.1179 BFGS: 933 09:28:50 -1645.937940 2.6768 BFGS: 934 09:28:50 -1645.962148 3.0145 BFGS: 935 09:28:50 -1646.000488 3.5796 BFGS: 936 09:28:50 -1646.027130 3.8110 BFGS: 937 09:28:50 -1646.048059 3.7996 BFGS: 938 09:28:50 -1646.060192 3.6705 BFGS: 939 09:28:50 -1646.071312 3.4888 BFGS: 940 09:28:50 -1646.078013 3.3568 BFGS: 941 09:28:50 -1646.084455 3.2096 BFGS: 942 09:28:50 -1646.087712 3.1388 BFGS: 943 09:28:50 -1646.090017 3.0961 BFGS: 944 09:28:51 -1646.091038 3.0931 BFGS: 945 09:28:51 -1646.091764 3.1140 BFGS: 946 09:28:51 -1646.091967 3.1294 BFGS: 947 09:28:51 -1646.092156 3.1596 BFGS: 948 09:28:51 -1646.092179 3.1623 BFGS: 949 09:28:51 -1646.092198 3.1622 BFGS: 950 09:28:51 -1646.092201 3.1606 BFGS: 951 09:28:51 -1646.092211 3.1532 BFGS: 952 09:28:51 -1646.092218 3.1486 BFGS: 953 09:28:51 -1646.092247 3.1341 BFGS: 954 09:28:51 -1646.092308 3.1132 BFGS: 955 09:28:51 -1646.092478 3.0738 BFGS: 956 09:28:51 -1646.092906 3.0072 BFGS: 957 09:28:52 -1646.094025 2.8873 BFGS: 958 09:28:52 -1646.096818 2.7764 BFGS: 959 09:28:52 -1646.104283 3.1150 BFGS: 960 09:28:52 -1646.122076 3.5038 BFGS: 961 09:28:52 -1646.161175 3.7180 BFGS: 962 09:28:52 -1646.227042 3.2032 BFGS: 963 09:28:52 -1646.292846 1.9008 BFGS: 964 09:28:52 -1646.321200 1.8082 BFGS: 965 09:28:52 -1646.325790 1.7600 BFGS: 966 09:28:52 -1646.326051 1.7050 BFGS: 967 09:28:52 -1646.326110 1.6898 BFGS: 968 09:28:52 -1646.326217 1.6601 BFGS: 969 09:28:52 -1646.326316 1.6448 BFGS: 970 09:28:52 -1646.326761 1.6025 BFGS: 971 09:28:53 -1646.327742 1.5483 BFGS: 972 09:28:53 -1646.330494 1.4624 BFGS: 973 09:28:53 -1646.337524 1.4570 BFGS: 974 09:28:53 -1646.356152 1.5640 BFGS: 975 09:28:53 -1646.404689 2.2817 BFGS: 976 09:28:53 -1646.474293 2.9151 BFGS: 977 09:28:53 -1646.559952 3.3943 BFGS: 978 09:28:53 -1646.658955 3.7636 BFGS: 979 09:28:54 -1646.771026 4.0544 BFGS: 980 09:28:54 -1646.894369 4.2873 BFGS: 981 09:28:54 -1647.028976 4.4412 BFGS: 982 09:28:54 -1647.169820 4.5373 BFGS: 983 09:28:54 -1647.321677 4.5777 BFGS: 984 09:28:54 -1647.481340 4.5492 BFGS: 985 09:28:54 -1647.645877 4.4586 BFGS: 986 09:28:54 -1647.814926 4.2969 BFGS: 987 09:28:54 -1647.980697 4.0446 BFGS: 988 09:28:54 -1648.145040 3.7445 BFGS: 989 09:28:54 -1648.299296 3.3741 BFGS: 990 09:28:54 -1648.438673 2.9694 BFGS: 991 09:28:54 -1648.561290 2.4593 BFGS: 992 09:28:54 -1648.656766 1.8650 BFGS: 993 09:28:55 -1648.725224 1.1713 BFGS: 994 09:28:55 -1648.755225 0.3626 BFGS: 995 09:28:55 -1648.756509 0.1732 BFGS: 996 09:28:55 -1648.756892 0.0595 BFGS: 997 09:28:55 -1648.757111 0.0552 BFGS: 998 09:28:55 -1648.757143 0.0247 BFGS: 999 09:28:55 -1648.757149 0.0108 BFGS: 1000 09:28:55 -1648.757150 0.0021 BFGS: 1001 09:28:55 -1648.757150 0.0007 BFGS: 1002 09:28:55 -1648.757150 0.0002 BFGS: 1003 09:28:55 -1648.757150 0.0000 BFGS: 1004 09:28:55 -1648.757150 0.0000 BFGS: 1005 09:28:55 -1648.757150 0.0000 BFGS: 1006 09:28:55 -1648.757150 0.0000 BFGS: 1007 09:28:56 -1648.757150 0.0000 BFGS: 1008 09:28:56 -1648.757150 0.0000 BFGS: 1009 09:28:56 -1648.757150 0.0000 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.