element(s): ['C', 'F'] AFLOW prototype label: AB2_aP18_2_3i_6i Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.2561', '1.0245361', '1.0867793', '92.3375', '109.5216', '94.2659', '0.74461298', '0.71178934', '0.89117856', '0.54846341', '0.82564509', '0.76692795', '0.34535893', '0.74325473', '0.63506149', '0.69254461', '0.50082444', '0.87084965', '0.92948666', '0.75302856', '0.82933108', '0.81214357', '0.77497891', '0.098446409', '0.59062948', '0.03756215', '0.79484963', '0.28038973', '0.54042785', '0.59141671', '0.18507193', '0.86094119', '0.53193952'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'F', 'F', 'F', 'F', 'F', 'F'] representative atom coordinates = [[0.74461298 0.71178934 0.89117856] [0.54846341 0.82564509 0.76692795] [0.34535893 0.74325473 0.63506149] [0.69254461 0.50082444 0.87084965] [0.92948666 0.75302856 0.82933108] [0.81214357 0.77497891 0.09844641] [0.59062948 0.03756215 0.79484963] [0.28038973 0.54042785 0.59141671] [0.18507193 0.86094119 0.53193952]] spacegroup = 2 cell = [[6.2561, 0, 0], [-0.47677958043455, 6.3918427226959, 0], [-2.2719688180247, -0.44754315762618, 6.3925162347847]] ========================================= Step Time Energy fmax BFGS: 0 17:14:44 -53.039094 134.2745 BFGS: 1 17:14:44 -66.475930 22.2375 BFGS: 2 17:14:44 -67.671122 24.0231 BFGS: 3 17:14:44 -68.094573 16.0381 BFGS: 4 17:14:44 -68.733059 10.1721 BFGS: 5 17:14:44 -68.474356 5.5696 BFGS: 6 17:14:44 -69.244388 3.7892 BFGS: 7 17:14:44 -69.202947 3.1539 BFGS: 8 17:14:44 -69.385007 0.9140 BFGS: 9 17:14:44 -69.397239 2.7182 BFGS: 10 17:14:44 -69.536849 2.8272 BFGS: 11 17:14:44 -69.803479 5.0826 BFGS: 12 17:14:44 -70.089138 6.6898 BFGS: 13 17:14:44 -70.366972 8.0618 BFGS: 14 17:14:44 -71.175265 7.0038 BFGS: 15 17:14:44 -71.988160 5.9595 BFGS: 16 17:14:44 -73.037574 5.2834 BFGS: 17 17:14:44 -74.245077 4.7158 BFGS: 18 17:14:44 -75.641247 5.8474 BFGS: 19 17:14:44 -77.183867 6.6680 BFGS: 20 17:14:44 -78.797668 5.5838 BFGS: 21 17:14:44 -80.146359 4.7263 BFGS: 22 17:14:44 -81.083808 8.2835 BFGS: 23 17:14:44 -82.170117 11.5596 BFGS: 24 17:14:44 -83.209320 14.4058 BFGS: 25 17:14:44 -83.858921 15.1591 BFGS: 26 17:14:44 -84.483750 9.9794 BFGS: 27 17:14:44 -85.525157 10.6697 BFGS: 28 17:14:44 -86.640220 12.5100 BFGS: 29 17:14:44 -87.726726 14.8630 BFGS: 30 17:14:44 -88.623456 17.1565 BFGS: 31 17:14:44 -89.428680 18.7532 BFGS: 32 17:14:44 -90.113547 19.8835 BFGS: 33 17:14:44 -90.929972 20.3664 BFGS: 34 17:14:44 -92.132888 20.7413 BFGS: 35 17:14:44 -93.526973 19.6429 BFGS: 36 17:14:44 -94.664714 16.3048 BFGS: 37 17:14:44 -95.873711 11.6532 BFGS: 38 17:14:44 -96.907477 11.6376 BFGS: 39 17:14:44 -97.837433 9.3330 BFGS: 40 17:14:44 -98.666900 8.3279 BFGS: 41 17:14:44 -99.799644 11.2652 BFGS: 42 17:14:44 -100.892267 11.1458 BFGS: 43 17:14:45 -101.714790 10.1631 BFGS: 44 17:14:45 -102.419485 9.4606 BFGS: 45 17:14:45 -103.109350 9.1156 BFGS: 46 17:14:45 -103.732799 8.3785 BFGS: 47 17:14:45 -104.317100 7.7713 BFGS: 48 17:14:45 -104.893197 7.5898 BFGS: 49 17:14:45 -105.424763 7.6898 BFGS: 50 17:14:45 -106.003189 8.7182 BFGS: 51 17:14:45 -106.565972 10.2306 BFGS: 52 17:14:45 -107.100537 12.0338 BFGS: 53 17:14:45 -107.523767 16.1674 BFGS: 54 17:14:45 -107.866460 19.0436 BFGS: 55 17:14:45 -108.407487 18.2834 BFGS: 56 17:14:45 -109.076579 16.5639 BFGS: 57 17:14:45 -109.893707 9.3922 BFGS: 58 17:14:45 -110.421085 6.1862 BFGS: 59 17:14:46 -110.956531 5.2943 BFGS: 60 17:14:46 -111.400450 5.2888 BFGS: 61 17:14:46 -111.827960 5.5702 BFGS: 62 17:14:46 -112.182133 7.0207 BFGS: 63 17:14:46 -112.493461 8.1256 BFGS: 64 17:14:46 -112.772589 9.2512 BFGS: 65 17:14:46 -113.044584 10.2072 BFGS: 66 17:14:46 -113.294229 11.0204 BFGS: 67 17:14:46 -113.499879 11.2378 BFGS: 68 17:14:46 -113.792320 10.2508 BFGS: 69 17:14:46 -114.146796 9.2557 BFGS: 70 17:14:46 -114.543844 8.4698 BFGS: 71 17:14:46 -114.852095 7.5712 BFGS: 72 17:14:46 -115.165526 6.6023 BFGS: 73 17:14:46 -115.421380 5.7773 BFGS: 74 17:14:46 -115.672898 4.8775 BFGS: 75 17:14:46 -115.894242 4.1325 BFGS: 76 17:14:47 -116.110075 3.6356 BFGS: 77 17:14:47 -116.313256 3.8424 BFGS: 78 17:14:47 -116.512697 4.0091 BFGS: 79 17:14:47 -116.707938 4.1913 BFGS: 80 17:14:47 -116.902364 4.3674 BFGS: 81 17:14:47 -117.096482 4.5532 BFGS: 82 17:14:47 -117.291603 4.7457 BFGS: 83 17:14:47 -117.486618 4.9675 BFGS: 84 17:14:47 -117.682714 5.1969 BFGS: 85 17:14:47 -117.880262 5.5067 BFGS: 86 17:14:47 -118.079876 5.8127 BFGS: 87 17:14:47 -118.281552 6.2112 BFGS: 88 17:14:47 -118.487021 6.6898 BFGS: 89 17:14:47 -118.696536 7.1732 BFGS: 90 17:14:47 -118.911453 7.6545 BFGS: 91 17:14:47 -119.133816 8.1263 BFGS: 92 17:14:47 -119.366414 8.5868 BFGS: 93 17:14:47 -119.612960 9.0245 BFGS: 94 17:14:47 -119.878467 9.4379 BFGS: 95 17:14:47 -120.170255 9.8205 BFGS: 96 17:14:48 -120.498844 10.1605 BFGS: 97 17:14:48 -120.879410 10.4466 BFGS: 98 17:14:48 -121.332600 10.6686 BFGS: 99 17:14:48 -121.881759 10.7996 BFGS: 100 17:14:48 -122.541574 10.8052 BFGS: 101 17:14:48 -123.294024 10.6699 BFGS: 102 17:14:48 -124.149509 9.9706 BFGS: 103 17:14:48 -124.834240 9.6510 BFGS: 104 17:14:48 -125.779513 7.7443 BFGS: 105 17:14:48 -126.720799 6.4216 BFGS: 106 17:14:48 -127.632371 6.2185 BFGS: 107 17:14:48 -128.555946 6.3767 BFGS: 108 17:14:48 -129.489826 6.7010 BFGS: 109 17:14:48 -130.435733 8.3670 BFGS: 110 17:14:48 -131.396383 10.1951 BFGS: 111 17:14:48 -132.378367 12.0931 BFGS: 112 17:14:48 -133.293359 13.7524 BFGS: 113 17:14:48 -134.137909 15.0375 BFGS: 114 17:14:48 -134.943217 15.9505 BFGS: 115 17:14:48 -135.717388 16.4496 BFGS: 116 17:14:48 -136.460758 16.4671 BFGS: 117 17:14:48 -137.165251 16.0537 BFGS: 118 17:14:48 -137.820970 16.0107 BFGS: 119 17:14:48 -138.416029 16.0526 BFGS: 120 17:14:49 -138.944960 15.9713 BFGS: 121 17:14:49 -139.421442 15.7778 BFGS: 122 17:14:49 -139.867957 15.4951 BFGS: 123 17:14:49 -140.303416 15.1674 BFGS: 124 17:14:49 -140.737569 14.8078 BFGS: 125 17:14:49 -141.176024 14.4462 BFGS: 126 17:14:49 -141.620169 14.0840 BFGS: 127 17:14:49 -142.069946 13.7268 BFGS: 128 17:14:49 -142.524133 13.3683 BFGS: 129 17:14:49 -142.978583 13.0008 BFGS: 130 17:14:49 -143.433220 12.6231 BFGS: 131 17:14:49 -143.887990 12.8889 BFGS: 132 17:14:49 -144.342409 13.2107 BFGS: 133 17:14:49 -144.796803 13.5487 BFGS: 134 17:14:49 -145.251110 13.9005 BFGS: 135 17:14:49 -145.705538 14.2692 BFGS: 136 17:14:49 -146.160810 14.6578 BFGS: 137 17:14:50 -146.615173 15.0733 BFGS: 138 17:14:50 -147.068725 15.5055 BFGS: 139 17:14:50 -147.520511 15.9649 BFGS: 140 17:14:50 -147.970844 16.4326 BFGS: 141 17:14:50 -148.417924 16.9334 BFGS: 142 17:14:50 -148.862995 17.4194 BFGS: 143 17:14:50 -149.303213 17.9611 BFGS: 144 17:14:50 -149.741024 18.7554 BFGS: 145 17:14:50 -150.171736 19.6969 BFGS: 146 17:14:50 -150.603836 20.8273 BFGS: 147 17:14:50 -151.025876 21.6874 BFGS: 148 17:14:50 -151.449831 22.7468 BFGS: 149 17:14:50 -151.867095 23.6156 BFGS: 150 17:14:50 -152.283914 24.5455 BFGS: 151 17:14:51 -152.697709 25.3880 BFGS: 152 17:14:51 -153.110739 26.2350 BFGS: 153 17:14:51 -153.522680 27.0359 BFGS: 154 17:14:51 -153.934472 27.8292 BFGS: 155 17:14:51 -154.346637 28.6005 BFGS: 156 17:14:51 -154.758082 29.3727 BFGS: 157 17:14:51 -155.170242 30.1641 BFGS: 158 17:14:51 -155.581507 30.9369 BFGS: 159 17:14:51 -155.992925 31.7230 BFGS: 160 17:14:51 -156.403239 32.4778 BFGS: 161 17:14:51 -156.811621 33.2409 BFGS: 162 17:14:51 -157.217248 33.9636 BFGS: 163 17:14:51 -157.620445 34.6836 BFGS: 164 17:14:51 -158.021848 35.3404 BFGS: 165 17:14:51 -158.425385 35.9987 BFGS: 166 17:14:51 -158.831682 36.5712 BFGS: 167 17:14:51 -159.242207 37.1856 BFGS: 168 17:14:51 -159.656781 37.7187 BFGS: 169 17:14:51 -160.075665 38.2910 BFGS: 170 17:14:51 -160.497441 38.8016 BFGS: 171 17:14:51 -160.921703 39.3279 BFGS: 172 17:14:52 -161.345390 39.7761 BFGS: 173 17:14:52 -161.770460 40.2084 BFGS: 174 17:14:52 -162.192282 40.4385 BFGS: 175 17:14:52 -162.610328 40.6489 BFGS: 176 17:14:52 -163.018707 40.4848 BFGS: 177 17:14:52 -163.422655 40.4206 BFGS: 178 17:14:52 -163.819360 39.8359 BFGS: 179 17:14:52 -164.221002 39.6022 BFGS: 180 17:14:52 -164.622065 38.8998 BFGS: 181 17:14:52 -165.032767 38.4645 BFGS: 182 17:14:52 -165.447323 37.8831 BFGS: 183 17:14:52 -165.869284 37.3516 BFGS: 184 17:14:52 -166.293303 36.8506 BFGS: 185 17:14:52 -166.721919 36.3075 BFGS: 186 17:14:52 -167.150761 35.8175 BFGS: 187 17:14:52 -167.581175 35.2939 BFGS: 188 17:14:52 -168.011726 34.7897 BFGS: 189 17:14:52 -168.443962 34.2560 BFGS: 190 17:14:52 -168.876443 33.7268 BFGS: 191 17:14:52 -169.309859 33.1751 BFGS: 192 17:14:52 -169.742974 32.6249 BFGS: 193 17:14:53 -170.176412 32.0637 BFGS: 194 17:14:53 -170.608891 31.5016 BFGS: 195 17:14:53 -171.041743 30.9261 BFGS: 196 17:14:53 -171.474717 30.3455 BFGS: 197 17:14:53 -171.908092 29.7505 BFGS: 198 17:14:53 -172.341313 29.1539 BFGS: 199 17:14:53 -172.774517 28.5570 BFGS: 200 17:14:53 -173.208719 27.9477 BFGS: 201 17:14:53 -173.643632 27.5646 BFGS: 202 17:14:53 -174.078031 27.2981 BFGS: 203 17:14:53 -174.514675 27.0512 BFGS: 204 17:14:53 -174.952715 26.8274 BFGS: 205 17:14:53 -175.391040 26.6390 BFGS: 206 17:14:53 -175.831073 26.5816 BFGS: 207 17:14:53 -176.273809 27.1778 BFGS: 208 17:14:53 -176.718907 27.7711 BFGS: 209 17:14:53 -177.168249 28.3629 BFGS: 210 17:14:53 -177.620703 28.9607 BFGS: 211 17:14:54 -178.076546 29.5490 BFGS: 212 17:14:54 -178.534496 30.1416 BFGS: 213 17:14:54 -178.998713 30.7085 BFGS: 214 17:14:54 -179.465345 31.4985 BFGS: 215 17:14:54 -179.939104 32.3996 BFGS: 216 17:14:54 -180.416807 33.4971 BFGS: 217 17:14:54 -180.900577 34.4658 BFGS: 218 17:14:54 -181.388263 35.5527 BFGS: 219 17:14:54 -181.877848 36.5940 BFGS: 220 17:14:54 -182.369980 37.6908 BFGS: 221 17:14:54 -182.865075 38.7625 BFGS: 222 17:14:54 -183.360411 39.8991 BFGS: 223 17:14:54 -183.864104 40.9256 BFGS: 224 17:14:54 -184.362319 42.1525 BFGS: 225 17:14:54 -184.877641 43.0711 BFGS: 226 17:14:55 -185.383453 44.3033 BFGS: 227 17:14:55 -185.905017 45.2805 BFGS: 228 17:14:55 -186.430323 46.9632 BFGS: 229 17:14:55 -186.968078 48.9370 BFGS: 230 17:14:55 -187.515956 51.1584 BFGS: 231 17:14:55 -188.076422 53.1597 BFGS: 232 17:14:55 -188.649950 55.6596 BFGS: 233 17:14:55 -189.235288 57.8283 BFGS: 234 17:14:55 -189.832050 60.4422 BFGS: 235 17:14:55 -190.437434 62.9217 BFGS: 236 17:14:55 -191.051201 65.6504 BFGS: 237 17:14:55 -191.668952 68.4198 BFGS: 238 17:14:55 -192.293024 71.2870 BFGS: 239 17:14:56 -192.919671 74.3319 BFGS: 240 17:14:56 -193.556966 77.2970 BFGS: 241 17:14:56 -194.198838 80.5816 BFGS: 242 17:14:56 -194.864380 83.5749 BFGS: 243 17:14:56 -195.547914 86.8881 BFGS: 244 17:14:56 -196.275833 89.7998 BFGS: 245 17:14:56 -197.036533 92.7902 BFGS: 246 17:14:56 -197.877156 95.6518 BFGS: 247 17:14:56 -198.683009 97.8986 BFGS: 248 17:14:56 -199.614227 101.0216 BFGS: 249 17:14:56 -200.491739 102.4657 BFGS: 250 17:14:56 -201.591783 104.7391 BFGS: 251 17:14:57 -202.769307 105.2870 BFGS: 252 17:14:57 -203.955889 105.7288 BFGS: 253 17:14:57 -205.222120 105.5444 BFGS: 254 17:14:57 -206.496667 105.1484 BFGS: 255 17:14:57 -207.865191 104.9712 BFGS: 256 17:14:57 -209.317711 105.2026 BFGS: 257 17:14:57 -210.949925 105.8314 BFGS: 258 17:14:57 -212.705482 106.7030 BFGS: 259 17:14:57 -214.401785 107.0262 BFGS: 260 17:14:57 -216.038416 107.3337 BFGS: 261 17:14:58 -217.675291 107.2812 BFGS: 262 17:14:58 -219.341635 106.8545 BFGS: 263 17:14:58 -221.100349 105.8817 BFGS: 264 17:14:58 -223.069891 103.1649 BFGS: 265 17:14:58 -224.741910 103.1306 BFGS: 266 17:14:58 -226.580282 102.0137 BFGS: 267 17:14:58 -228.478267 100.5648 BFGS: 268 17:14:58 -230.387637 99.0803 BFGS: 269 17:14:58 -232.329355 97.3355 BFGS: 270 17:14:59 -234.302512 95.4013 BFGS: 271 17:14:59 -236.304498 93.2389 BFGS: 272 17:14:59 -238.341164 90.8740 BFGS: 273 17:14:59 -240.428842 88.2638 BFGS: 274 17:14:59 -242.566918 85.4325 BFGS: 275 17:14:59 -244.770806 82.3670 BFGS: 276 17:14:59 -247.042895 79.1031 BFGS: 277 17:14:59 -249.325266 75.7366 BFGS: 278 17:14:59 -251.510771 72.4926 BFGS: 279 17:15:00 -253.577205 69.3864 BFGS: 280 17:15:00 -255.599762 66.4102 BFGS: 281 17:15:00 -257.409455 63.5516 BFGS: 282 17:15:00 -259.450024 60.7003 BFGS: 283 17:15:00 -261.091472 57.9068 BFGS: 284 17:15:00 -262.897657 55.0407 BFGS: 285 17:15:00 -264.613811 52.1030 BFGS: 286 17:15:00 -266.475966 49.0374 BFGS: 287 17:15:01 -268.148968 46.2125 BFGS: 288 17:15:01 -270.003216 43.1889 BFGS: 289 17:15:01 -271.760320 40.4411 BFGS: 290 17:15:01 -273.587235 37.6794 BFGS: 291 17:15:01 -275.390852 35.1556 BFGS: 292 17:15:01 -277.199759 32.8072 BFGS: 293 17:15:01 -278.981518 30.8385 BFGS: 294 17:15:02 -280.754840 29.4423 BFGS: 295 17:15:02 -282.505155 28.1399 BFGS: 296 17:15:02 -284.268180 26.9871 BFGS: 297 17:15:02 -286.033529 25.8717 BFGS: 298 17:15:02 -287.844213 24.8755 BFGS: 299 17:15:02 -289.672720 23.8509 BFGS: 300 17:15:02 -291.410800 23.0252 BFGS: 301 17:15:03 -293.255629 22.0577 BFGS: 302 17:15:03 -294.941435 21.3333 BFGS: 303 17:15:03 -296.737075 20.4526 BFGS: 304 17:15:03 -298.374106 19.8163 BFGS: 305 17:15:03 -300.047592 19.1111 BFGS: 306 17:15:03 -301.561358 18.6737 BFGS: 307 17:15:03 -303.041469 18.2258 BFGS: 308 17:15:04 -304.379167 18.0347 BFGS: 309 17:15:04 -305.675297 17.8873 BFGS: 310 17:15:04 -306.880603 18.3573 BFGS: 311 17:15:04 -308.105818 19.0533 BFGS: 312 17:15:04 -309.316155 19.1944 BFGS: 313 17:15:05 -310.608821 19.6162 BFGS: 314 17:15:05 -311.921182 19.4393 BFGS: 315 17:15:05 -313.257477 19.5080 BFGS: 316 17:15:05 -314.601450 20.0723 BFGS: 317 17:15:05 -315.940853 21.0819 BFGS: 318 17:15:06 -317.271565 22.0507 BFGS: 319 17:15:06 -318.584060 22.9469 BFGS: 320 17:15:06 -319.825616 23.7646 BFGS: 321 17:15:06 -320.987172 24.5037 BFGS: 322 17:15:06 -322.067318 25.2060 BFGS: 323 17:15:06 -323.067773 25.8813 BFGS: 324 17:15:07 -323.997745 26.5655 BFGS: 325 17:15:07 -324.865974 28.0086 BFGS: 326 17:15:07 -325.686765 29.3724 BFGS: 327 17:15:07 -326.474589 30.6840 BFGS: 328 17:15:07 -327.247083 31.4729 BFGS: 329 17:15:08 -328.020733 32.5399 BFGS: 330 17:15:08 -328.803938 32.8319 BFGS: 331 17:15:08 -329.620099 33.5615 BFGS: 332 17:15:08 -330.476328 33.6330 BFGS: 333 17:15:08 -331.329173 33.8323 BFGS: 334 17:15:09 -332.178116 33.6921 BFGS: 335 17:15:09 -333.042121 33.5199 BFGS: 336 17:15:09 -333.928013 33.1619 BFGS: 337 17:15:09 -334.845154 32.7553 BFGS: 338 17:15:09 -335.803309 32.2952 BFGS: 339 17:15:09 -336.809310 31.8132 BFGS: 340 17:15:10 -337.875307 31.1495 BFGS: 341 17:15:10 -339.008446 30.2304 BFGS: 342 17:15:10 -340.211584 29.2259 BFGS: 343 17:15:10 -341.481758 28.2944 BFGS: 344 17:15:10 -342.768284 29.3441 BFGS: 345 17:15:11 -343.964667 30.4622 BFGS: 346 17:15:11 -345.109563 31.3580 BFGS: 347 17:15:11 -346.209237 32.1923 BFGS: 348 17:15:11 -347.296748 32.7405 BFGS: 349 17:15:12 -348.351879 33.3743 BFGS: 350 17:15:12 -349.413553 33.6002 BFGS: 351 17:15:12 -350.436860 34.1141 BFGS: 352 17:15:12 -351.470957 34.1210 BFGS: 353 17:15:12 -352.469496 34.4127 BFGS: 354 17:15:13 -353.468006 34.3357 BFGS: 355 17:15:13 -354.440854 34.3931 BFGS: 356 17:15:13 -355.405045 34.2216 BFGS: 357 17:15:13 -356.350033 34.0937 BFGS: 358 17:15:13 -357.284906 33.8254 BFGS: 359 17:15:14 -358.205994 33.5493 BFGS: 360 17:15:14 -359.118337 33.1643 BFGS: 361 17:15:14 -360.021559 32.7522 BFGS: 362 17:15:14 -360.917359 32.2549 BFGS: 363 17:15:14 -361.806411 31.7107 BFGS: 364 17:15:15 -362.688762 31.0947 BFGS: 365 17:15:15 -363.564850 30.4162 BFGS: 366 17:15:15 -364.432326 29.6693 BFGS: 367 17:15:15 -365.291727 28.8578 BFGS: 368 17:15:16 -366.141075 27.9763 BFGS: 369 17:15:16 -366.979961 27.0334 BFGS: 370 17:15:16 -367.805069 26.0220 BFGS: 371 17:15:16 -368.616466 24.9511 BFGS: 372 17:15:16 -369.411287 23.8274 BFGS: 373 17:15:17 -370.190029 22.6600 BFGS: 374 17:15:17 -370.949629 21.4549 BFGS: 375 17:15:17 -371.691487 20.2159 BFGS: 376 17:15:17 -372.412311 18.9727 BFGS: 377 17:15:17 -373.115665 17.7127 BFGS: 378 17:15:18 -373.797288 16.4834 BFGS: 379 17:15:18 -374.463395 15.6271 BFGS: 380 17:15:18 -375.107952 15.4647 BFGS: 381 17:15:18 -375.740414 15.3482 BFGS: 382 17:15:19 -376.352051 15.2476 BFGS: 383 17:15:19 -376.956119 15.2166 BFGS: 384 17:15:19 -377.538146 15.1879 BFGS: 385 17:15:19 -378.118580 15.2518 BFGS: 386 17:15:19 -378.677301 15.2918 BFGS: 387 17:15:20 -379.238368 15.4340 BFGS: 388 17:15:20 -379.780680 15.5437 BFGS: 389 17:15:20 -380.325822 15.7424 BFGS: 390 17:15:20 -380.857761 15.9147 BFGS: 391 17:15:21 -381.391175 16.1380 BFGS: 392 17:15:21 -381.916463 16.3419 BFGS: 393 17:15:21 -382.441921 16.5682 BFGS: 394 17:15:21 -382.962085 16.7750 BFGS: 395 17:15:21 -383.480873 16.9792 BFGS: 396 17:15:22 -383.994892 17.1598 BFGS: 397 17:15:22 -384.506278 17.3263 BFGS: 398 17:15:22 -385.012884 17.4672 BFGS: 399 17:15:22 -385.515393 17.5834 BFGS: 400 17:15:23 -386.012245 17.6758 BFGS: 401 17:15:23 -386.503888 17.7438 BFGS: 402 17:15:23 -386.989317 17.7841 BFGS: 403 17:15:23 -387.468905 17.8059 BFGS: 404 17:15:23 -387.941443 17.8040 BFGS: 405 17:15:24 -388.407653 17.7857 BFGS: 406 17:15:24 -388.866236 17.7513 BFGS: 407 17:15:24 -389.317620 17.6996 BFGS: 408 17:15:24 -389.760532 17.6369 BFGS: 409 17:15:24 -390.194445 17.5571 BFGS: 410 17:15:25 -390.611968 17.4654 BFGS: 411 17:15:25 -391.016317 17.3584 BFGS: 412 17:15:25 -391.407479 17.2359 BFGS: 413 17:15:25 -391.788394 17.1026 BFGS: 414 17:15:26 -392.158619 16.9460 BFGS: 415 17:15:26 -392.520984 16.7885 BFGS: 416 17:15:26 -392.873854 16.5794 BFGS: 417 17:15:26 -393.220020 16.4118 BFGS: 418 17:15:26 -393.557986 16.1525 BFGS: 419 17:15:27 -393.889274 15.9622 BFGS: 420 17:15:27 -394.211378 15.6897 BFGS: 421 17:15:27 -394.525389 15.4565 BFGS: 422 17:15:27 -394.836476 15.1795 BFGS: 423 17:15:27 -395.137891 14.9159 BFGS: 424 17:15:28 -395.439233 14.6300 BFGS: 425 17:15:28 -395.729720 14.3389 BFGS: 426 17:15:28 -396.020591 14.0532 BFGS: 427 17:15:28 -396.300901 13.7420 BFGS: 428 17:15:28 -396.581760 13.4437 BFGS: 429 17:15:29 -396.854622 13.1111 BFGS: 430 17:15:29 -397.130446 12.8057 BFGS: 431 17:15:29 -397.404306 12.4365 BFGS: 432 17:15:29 -397.687316 12.0994 BFGS: 433 17:15:30 -397.970433 11.6719 BFGS: 434 17:15:30 -398.231979 11.3361 BFGS: 435 17:15:30 -398.454872 10.9671 BFGS: 436 17:15:30 -398.672241 10.6610 BFGS: 437 17:15:30 -398.875695 10.2797 BFGS: 438 17:15:31 -399.057849 9.9683 BFGS: 439 17:15:31 -399.222601 9.6380 BFGS: 440 17:15:31 -399.373222 9.3597 BFGS: 441 17:15:31 -399.512770 9.0690 BFGS: 442 17:15:31 -399.645459 8.7851 BFGS: 443 17:15:32 -399.773950 8.4761 BFGS: 444 17:15:32 -399.901252 8.1317 BFGS: 445 17:15:32 -400.031679 7.7246 BFGS: 446 17:15:32 -400.172040 7.1935 BFGS: 447 17:15:33 -400.337006 6.4914 BFGS: 448 17:15:33 -400.472623 5.9464 BFGS: 449 17:15:33 -400.593336 5.2945 BFGS: 450 17:15:33 -400.700939 4.6035 BFGS: 451 17:15:33 -400.790958 4.2984 BFGS: 452 17:15:34 -400.863415 3.9636 BFGS: 453 17:15:34 -400.919082 3.5308 BFGS: 454 17:15:34 -400.959932 3.0337 BFGS: 455 17:15:34 -401.001965 2.9905 BFGS: 456 17:15:34 -401.025880 2.8727 BFGS: 457 17:15:35 -401.049466 2.8550 BFGS: 458 17:15:35 -401.084760 2.6942 BFGS: 459 17:15:35 -401.136397 3.0948 BFGS: 460 17:15:35 -401.171439 2.7754 BFGS: 461 17:15:36 -401.198280 2.7621 BFGS: 462 17:15:36 -401.214555 3.1887 BFGS: 463 17:15:36 -401.223038 3.4589 BFGS: 464 17:15:36 -401.236284 3.6195 BFGS: 465 17:15:36 -401.250815 3.7517 BFGS: 466 17:15:37 -401.274889 3.6479 BFGS: 467 17:15:37 -401.305664 4.5178 BFGS: 468 17:15:37 -401.341217 5.0318 BFGS: 469 17:15:37 -401.378855 5.3312 BFGS: 470 17:15:37 -401.417425 5.5155 BFGS: 471 17:15:38 -401.457097 5.6405 BFGS: 472 17:15:38 -401.497681 5.7344 BFGS: 473 17:15:38 -401.539109 5.8073 BFGS: 474 17:15:38 -401.581309 5.8679 BFGS: 475 17:15:38 -401.624298 5.9117 BFGS: 476 17:15:39 -401.668064 5.9456 BFGS: 477 17:15:39 -401.712298 5.9699 BFGS: 478 17:15:39 -401.757126 5.9821 BFGS: 479 17:15:39 -401.802173 5.9852 BFGS: 480 17:15:40 -401.847482 5.9780 BFGS: 481 17:15:40 -401.893253 5.9579 BFGS: 482 17:15:40 -401.938667 5.9396 BFGS: 483 17:15:40 -401.984524 5.9019 BFGS: 484 17:15:40 -402.030181 5.8600 BFGS: 485 17:15:41 -402.075392 5.8135 BFGS: 486 17:15:41 -402.120215 5.7626 BFGS: 487 17:15:41 -402.164346 5.7120 BFGS: 488 17:15:41 -402.207744 5.6612 BFGS: 489 17:15:41 -402.250573 5.6070 BFGS: 490 17:15:42 -402.292422 5.5542 BFGS: 491 17:15:42 -402.333083 5.5049 BFGS: 492 17:15:42 -402.373100 5.4491 BFGS: 493 17:15:42 -402.411818 5.3967 BFGS: 494 17:15:43 -402.449815 5.3356 BFGS: 495 17:15:43 -402.486897 5.2702 BFGS: 496 17:15:43 -402.524096 5.1943 BFGS: 497 17:15:43 -402.560451 5.1050 BFGS: 498 17:15:44 -402.596382 4.9988 BFGS: 499 17:15:44 -402.632882 4.9642 BFGS: 500 17:15:44 -402.674536 5.0836 BFGS: 501 17:15:44 -402.718225 5.0965 BFGS: 502 17:15:45 -402.776030 5.0106 BFGS: 503 17:15:45 -402.822339 5.8108 BFGS: 504 17:15:45 -402.858827 6.0383 BFGS: 505 17:15:45 -402.915261 6.7361 BFGS: 506 17:15:45 -402.961130 6.4727 BFGS: 507 17:15:46 -403.034261 6.5436 BFGS: 508 17:15:46 -403.070475 6.4355 BFGS: 509 17:15:46 -403.101481 6.4339 BFGS: 510 17:15:46 -403.129256 6.4108 BFGS: 511 17:15:47 -403.154530 6.3767 BFGS: 512 17:15:47 -403.176750 6.2999 BFGS: 513 17:15:47 -403.197450 6.2187 BFGS: 514 17:15:47 -403.222459 6.1294 BFGS: 515 17:15:48 -403.249456 6.0557 BFGS: 516 17:15:48 -403.271728 6.0038 BFGS: 517 17:15:48 -403.292442 5.9178 BFGS: 518 17:15:48 -403.317461 5.8921 BFGS: 519 17:15:48 -403.353078 5.9278 BFGS: 520 17:15:49 -403.386259 6.0421 BFGS: 521 17:15:49 -403.421216 6.1641 BFGS: 522 17:15:49 -403.459018 6.2882 BFGS: 523 17:15:49 -403.500467 6.4070 BFGS: 524 17:15:49 -403.544714 6.5228 BFGS: 525 17:15:50 -403.591953 6.6362 BFGS: 526 17:15:50 -403.641187 6.7434 BFGS: 527 17:15:50 -403.692698 6.8489 BFGS: 528 17:15:50 -403.744078 6.9471 BFGS: 529 17:15:51 -403.797592 7.0519 BFGS: 530 17:15:51 -403.847368 7.1417 BFGS: 531 17:15:51 -403.900945 7.2742 BFGS: 532 17:15:51 -403.943828 7.3461 BFGS: 533 17:15:52 -403.994979 7.6021 BFGS: 534 17:15:52 -404.022624 7.5757 BFGS: 535 17:15:52 -404.057693 8.0294 BFGS: 536 17:15:52 -404.088934 7.7776 BFGS: 537 17:15:53 -404.142418 7.5895 BFGS: 538 17:15:53 -404.189451 7.3310 BFGS: 539 17:15:53 -404.231691 7.0511 BFGS: 540 17:15:54 -404.275202 6.6998 BFGS: 541 17:15:54 -404.319060 6.2960 BFGS: 542 17:15:54 -404.365819 5.8077 BFGS: 543 17:15:55 -404.414812 5.2489 BFGS: 544 17:15:55 -404.467926 4.5436 BFGS: 545 17:15:55 -404.512104 4.2926 BFGS: 546 17:15:56 -404.539711 4.3357 BFGS: 547 17:15:56 -404.566601 4.6177 BFGS: 548 17:15:56 -404.592681 4.8762 BFGS: 549 17:15:57 -404.622667 5.1018 BFGS: 550 17:15:57 -404.656927 5.3054 BFGS: 551 17:15:58 -404.696973 5.4724 BFGS: 552 17:15:58 -404.741550 5.6066 BFGS: 553 17:15:58 -404.789599 5.6814 BFGS: 554 17:15:58 -404.835671 5.6694 BFGS: 555 17:15:59 -404.859943 5.4452 BFGS: 556 17:15:59 -404.872662 5.1704 BFGS: 557 17:15:59 -404.883487 5.1283 BFGS: 558 17:15:59 -404.891218 5.1081 BFGS: 559 17:16:00 -404.908040 5.1337 BFGS: 560 17:16:00 -404.938462 5.1085 BFGS: 561 17:16:00 -404.965884 5.1214 BFGS: 562 17:16:01 -404.993892 5.1139 BFGS: 563 17:16:01 -405.023402 5.1071 BFGS: 564 17:16:01 -405.054342 5.0949 BFGS: 565 17:16:01 -405.085890 5.0800 BFGS: 566 17:16:02 -405.119124 5.0730 BFGS: 567 17:16:02 -405.153339 5.0589 BFGS: 568 17:16:02 -405.188523 5.0456 BFGS: 569 17:16:02 -405.224469 5.0321 BFGS: 570 17:16:03 -405.261176 5.0196 BFGS: 571 17:16:03 -405.298497 5.0073 BFGS: 572 17:16:03 -405.336096 4.9961 BFGS: 573 17:16:03 -405.374090 4.9867 BFGS: 574 17:16:03 -405.412663 4.9800 BFGS: 575 17:16:04 -405.451786 4.9711 BFGS: 576 17:16:04 -405.491372 4.9647 BFGS: 577 17:16:04 -405.531386 4.9587 BFGS: 578 17:16:04 -405.571651 4.9546 BFGS: 579 17:16:04 -405.612393 4.9517 BFGS: 580 17:16:05 -405.653320 4.9492 BFGS: 581 17:16:05 -405.694691 4.9488 BFGS: 582 17:16:05 -405.736231 4.9494 BFGS: 583 17:16:05 -405.778263 4.9519 BFGS: 584 17:16:05 -405.820436 4.9550 BFGS: 585 17:16:06 -405.862993 4.9584 BFGS: 586 17:16:06 -405.905665 4.9643 BFGS: 587 17:16:06 -405.948748 4.9733 BFGS: 588 17:16:06 -405.992101 4.9818 BFGS: 589 17:16:06 -406.035857 4.9923 BFGS: 590 17:16:06 -406.079769 5.0035 BFGS: 591 17:16:07 -406.124298 5.0168 BFGS: 592 17:16:07 -406.168886 5.0269 BFGS: 593 17:16:07 -406.213656 5.0435 BFGS: 594 17:16:07 -406.258972 5.0588 BFGS: 595 17:16:08 -406.304652 5.0757 BFGS: 596 17:16:08 -406.350741 5.0921 BFGS: 597 17:16:08 -406.397337 5.1110 BFGS: 598 17:16:08 -406.444061 5.1307 BFGS: 599 17:16:08 -406.491768 5.1524 BFGS: 600 17:16:09 -406.539132 5.1710 BFGS: 601 17:16:09 -406.587790 5.1947 BFGS: 602 17:16:09 -406.635937 5.2157 BFGS: 603 17:16:09 -406.685368 5.2385 BFGS: 604 17:16:09 -406.734358 5.2612 BFGS: 605 17:16:10 -406.784690 5.2864 BFGS: 606 17:16:10 -406.834829 5.3099 BFGS: 607 17:16:10 -406.886218 5.3309 BFGS: 608 17:16:10 -406.937921 5.3525 BFGS: 609 17:16:10 -406.990465 5.3735 BFGS: 610 17:16:11 -407.043455 5.3939 BFGS: 611 17:16:11 -407.097053 5.4130 BFGS: 612 17:16:11 -407.151248 5.4290 BFGS: 613 17:16:11 -407.205844 5.4440 BFGS: 614 17:16:12 -407.261140 5.4548 BFGS: 615 17:16:12 -407.316693 5.4645 BFGS: 616 17:16:12 -407.373084 5.4709 BFGS: 617 17:16:12 -407.429360 5.4731 BFGS: 618 17:16:12 -407.486475 5.4675 BFGS: 619 17:16:13 -407.543848 5.5394 BFGS: 620 17:16:13 -407.602044 5.7168 BFGS: 621 17:16:13 -407.660879 5.9045 BFGS: 622 17:16:13 -407.720475 6.0928 BFGS: 623 17:16:13 -407.780616 6.2938 BFGS: 624 17:16:14 -407.841536 6.4986 BFGS: 625 17:16:14 -407.903245 6.7116 BFGS: 626 17:16:14 -407.965401 6.9272 BFGS: 627 17:16:14 -408.028665 7.1507 BFGS: 628 17:16:14 -408.092396 7.3814 BFGS: 629 17:16:15 -408.156920 7.6119 BFGS: 630 17:16:15 -408.222430 7.8507 BFGS: 631 17:16:15 -408.289102 8.0941 BFGS: 632 17:16:15 -408.356590 8.3409 BFGS: 633 17:16:15 -408.425639 8.5918 BFGS: 634 17:16:16 -408.495415 8.8462 BFGS: 635 17:16:16 -408.567153 9.1058 BFGS: 636 17:16:16 -408.639282 9.3640 BFGS: 637 17:16:16 -408.714071 9.6224 BFGS: 638 17:16:16 -408.787933 9.8861 BFGS: 639 17:16:17 -408.865940 10.1400 BFGS: 640 17:16:17 -408.940242 10.3976 BFGS: 641 17:16:17 -409.020643 10.6485 BFGS: 642 17:16:17 -409.092738 10.9193 BFGS: 643 17:16:17 -409.172598 11.1567 BFGS: 644 17:16:18 -409.239603 11.4308 BFGS: 645 17:16:18 -409.313415 11.6553 BFGS: 646 17:16:18 -409.372393 11.9363 BFGS: 647 17:16:18 -409.434878 12.1751 BFGS: 648 17:16:18 -409.483457 12.4911 BFGS: 649 17:16:19 -409.535403 12.7748 BFGS: 650 17:16:19 -409.582091 13.2191 BFGS: 651 17:16:19 -409.640433 13.5045 BFGS: 652 17:16:19 -409.747241 14.1538 BFGS: 653 17:16:19 -409.853676 14.6624 BFGS: 654 17:16:20 -409.962293 15.0789 BFGS: 655 17:16:20 -410.078192 15.5015 BFGS: 656 17:16:20 -410.195759 15.8918 BFGS: 657 17:16:20 -410.311754 16.6185 BFGS: 658 17:16:20 -410.425372 17.2271 BFGS: 659 17:16:20 -410.536048 17.7088 BFGS: 660 17:16:21 -410.646271 18.0768 BFGS: 661 17:16:21 -410.759752 18.3343 BFGS: 662 17:16:21 -410.877888 18.5086 BFGS: 663 17:16:21 -411.003359 18.6058 BFGS: 664 17:16:21 -411.134049 18.6544 BFGS: 665 17:16:22 -411.274388 18.6513 BFGS: 666 17:16:22 -411.417813 18.6112 BFGS: 667 17:16:22 -411.569954 18.5491 BFGS: 668 17:16:22 -411.722482 18.4702 BFGS: 669 17:16:22 -411.882668 18.9054 BFGS: 670 17:16:23 -412.042510 19.2975 BFGS: 671 17:16:23 -412.207413 19.7018 BFGS: 672 17:16:23 -412.372328 20.0903 BFGS: 673 17:16:23 -412.540356 20.4645 BFGS: 674 17:16:23 -412.707604 20.8129 BFGS: 675 17:16:23 -412.878009 21.1576 BFGS: 676 17:16:24 -413.046724 21.4719 BFGS: 677 17:16:24 -413.218248 21.7530 BFGS: 678 17:16:24 -413.388101 22.0066 BFGS: 679 17:16:24 -413.563631 22.2353 BFGS: 680 17:16:24 -413.734632 22.4145 BFGS: 681 17:16:25 -413.916488 22.5397 BFGS: 682 17:16:25 -414.089137 22.6271 BFGS: 683 17:16:25 -414.277581 22.6552 BFGS: 684 17:16:25 -414.458816 22.6316 BFGS: 685 17:16:25 -414.651494 22.5303 BFGS: 686 17:16:26 -414.848350 22.3708 BFGS: 687 17:16:26 -415.053124 22.1446 BFGS: 688 17:16:26 -415.267780 21.8479 BFGS: 689 17:16:26 -415.486710 21.4996 BFGS: 690 17:16:26 -415.720729 21.0640 BFGS: 691 17:16:27 -415.952389 20.6079 BFGS: 692 17:16:27 -416.203043 20.0267 BFGS: 693 17:16:27 -416.441456 19.5140 BFGS: 694 17:16:27 -416.695784 18.8450 BFGS: 695 17:16:27 -416.941821 18.2457 BFGS: 696 17:16:28 -417.184261 17.5875 BFGS: 697 17:16:28 -417.434495 16.9210 BFGS: 698 17:16:28 -417.666485 16.2659 BFGS: 699 17:16:28 -417.905100 15.6166 BFGS: 700 17:16:28 -418.130423 14.9812 BFGS: 701 17:16:29 -418.353748 14.3479 BFGS: 702 17:16:29 -418.567213 13.7554 BFGS: 703 17:16:29 -418.775215 13.1744 BFGS: 704 17:16:29 -418.974751 12.6351 BFGS: 705 17:16:29 -419.167424 12.1141 BFGS: 706 17:16:30 -419.352733 11.6447 BFGS: 707 17:16:30 -419.530992 11.1771 BFGS: 708 17:16:30 -419.701054 10.7648 BFGS: 709 17:16:30 -419.864507 10.5362 BFGS: 710 17:16:30 -420.023202 10.4901 BFGS: 711 17:16:31 -420.175656 10.4456 BFGS: 712 17:16:31 -420.323935 10.4094 BFGS: 713 17:16:31 -420.466859 10.3740 BFGS: 714 17:16:31 -420.606486 10.3437 BFGS: 715 17:16:31 -420.741536 10.3143 BFGS: 716 17:16:32 -420.873773 10.2888 BFGS: 717 17:16:32 -421.002776 10.2591 BFGS: 718 17:16:32 -421.129147 10.2335 BFGS: 719 17:16:32 -421.252964 10.2036 BFGS: 720 17:16:32 -421.375091 10.1776 BFGS: 721 17:16:33 -421.495827 10.1509 BFGS: 722 17:16:33 -421.615143 10.1234 BFGS: 723 17:16:33 -421.733198 10.0937 BFGS: 724 17:16:33 -421.850451 10.0643 BFGS: 725 17:16:34 -421.966870 10.0323 BFGS: 726 17:16:34 -422.082571 10.0005 BFGS: 727 17:16:34 -422.198054 9.9660 BFGS: 728 17:16:34 -422.313173 9.9311 BFGS: 729 17:16:34 -422.428370 9.8941 BFGS: 730 17:16:35 -422.543474 9.8559 BFGS: 731 17:16:35 -422.658585 9.8157 BFGS: 732 17:16:35 -422.774117 9.7732 BFGS: 733 17:16:35 -422.889661 9.7278 BFGS: 734 17:16:35 -423.005695 9.6823 BFGS: 735 17:16:36 -423.122030 9.6336 BFGS: 736 17:16:36 -423.238434 9.5811 BFGS: 737 17:16:36 -423.355906 9.5274 BFGS: 738 17:16:36 -423.473434 9.4719 BFGS: 739 17:16:36 -423.591937 9.4170 BFGS: 740 17:16:37 -423.710953 9.3564 BFGS: 741 17:16:37 -423.830435 9.2956 BFGS: 742 17:16:37 -423.951095 9.2282 BFGS: 743 17:16:37 -424.071596 9.1664 BFGS: 744 17:16:38 -424.193172 9.0876 BFGS: 745 17:16:38 -424.315080 9.0210 BFGS: 746 17:16:38 -424.438049 8.9379 BFGS: 747 17:16:38 -424.561085 8.8658 BFGS: 748 17:16:38 -424.686206 8.7749 BFGS: 749 17:16:39 -424.809357 8.6953 BFGS: 750 17:16:39 -424.936019 8.6065 BFGS: 751 17:16:39 -425.060789 8.5178 BFGS: 752 17:16:39 -425.188485 8.4264 BFGS: 753 17:16:40 -425.315634 8.3341 BFGS: 754 17:16:40 -425.443291 8.2289 BFGS: 755 17:16:40 -425.572034 8.1347 BFGS: 756 17:16:40 -425.701353 8.0296 BFGS: 757 17:16:40 -425.830727 7.9249 BFGS: 758 17:16:41 -425.960591 7.8145 BFGS: 759 17:16:41 -426.091340 7.7109 BFGS: 760 17:16:41 -426.221308 7.5993 BFGS: 761 17:16:41 -426.354473 7.5022 BFGS: 762 17:16:41 -426.482767 7.3749 BFGS: 763 17:16:42 -426.619133 7.2911 BFGS: 764 17:16:42 -426.745209 7.1552 BFGS: 765 17:16:42 -426.885250 7.0882 BFGS: 766 17:16:42 -427.011109 6.9967 BFGS: 767 17:16:43 -427.148776 7.0271 BFGS: 768 17:16:43 -427.278871 7.0472 BFGS: 769 17:16:43 -427.414886 7.0806 BFGS: 770 17:16:43 -427.547939 7.2210 BFGS: 771 17:16:43 -427.684411 7.4622 BFGS: 772 17:16:44 -427.820493 7.6916 BFGS: 773 17:16:44 -427.958044 7.9521 BFGS: 774 17:16:44 -428.096531 8.1818 BFGS: 775 17:16:44 -428.235996 8.4614 BFGS: 776 17:16:44 -428.377769 8.6976 BFGS: 777 17:16:45 -428.520518 9.0008 BFGS: 778 17:16:45 -428.665822 9.2431 BFGS: 779 17:16:45 -428.809104 9.5572 BFGS: 780 17:16:45 -428.956213 9.8090 BFGS: 781 17:16:46 -429.101891 10.1255 BFGS: 782 17:16:46 -429.250615 10.3959 BFGS: 783 17:16:46 -429.400696 10.7175 BFGS: 784 17:16:46 -429.551441 10.9979 BFGS: 785 17:16:46 -429.706078 11.3290 BFGS: 786 17:16:47 -429.860394 11.6257 BFGS: 787 17:16:47 -430.019653 11.9570 BFGS: 788 17:16:47 -430.178487 12.2696 BFGS: 789 17:16:47 -430.342040 12.6002 BFGS: 790 17:16:48 -430.504063 12.9170 BFGS: 791 17:16:48 -430.671090 13.2470 BFGS: 792 17:16:48 -430.837004 13.5786 BFGS: 793 17:16:48 -431.005938 13.9006 BFGS: 794 17:16:48 -431.176664 14.2344 BFGS: 795 17:16:49 -431.348291 14.5519 BFGS: 796 17:16:49 -431.522231 14.8851 BFGS: 797 17:16:49 -431.695056 15.1908 BFGS: 798 17:16:49 -431.872335 15.5184 BFGS: 799 17:16:50 -432.045216 15.8025 BFGS: 800 17:16:50 -432.225551 16.1236 BFGS: 801 17:16:50 -432.398857 16.3829 BFGS: 802 17:16:50 -432.579232 16.6792 BFGS: 803 17:16:51 -432.751480 16.9075 BFGS: 804 17:16:51 -432.932843 17.1737 BFGS: 805 17:16:51 -433.103858 17.3601 BFGS: 806 17:16:51 -433.285552 17.5970 BFGS: 807 17:16:51 -433.456091 17.7347 BFGS: 808 17:16:52 -433.638493 17.9378 BFGS: 809 17:16:52 -433.810887 18.0285 BFGS: 810 17:16:52 -433.994198 18.1917 BFGS: 811 17:16:52 -434.172199 18.2499 BFGS: 812 17:16:53 -434.359772 18.3668 BFGS: 813 17:16:53 -434.547456 18.4053 BFGS: 814 17:16:53 -434.742711 18.4654 BFGS: 815 17:16:53 -434.943550 18.5091 BFGS: 816 17:16:54 -435.147460 18.4933 BFGS: 817 17:16:54 -435.362310 18.5827 BFGS: 818 17:16:54 -435.569448 18.5107 BFGS: 819 17:16:54 -435.791101 18.5587 BFGS: 820 17:16:55 -436.010320 18.5031 BFGS: 821 17:16:55 -436.234872 18.5055 BFGS: 822 17:16:55 -436.463544 18.4439 BFGS: 823 17:16:55 -436.691379 18.4197 BFGS: 824 17:16:55 -436.928868 18.3341 BFGS: 825 17:16:56 -437.157919 18.2878 BFGS: 826 17:16:56 -437.402512 18.1571 BFGS: 827 17:16:56 -437.632843 18.1039 BFGS: 828 17:16:56 -437.877042 17.8963 BFGS: 829 17:16:57 -438.112445 17.8284 BFGS: 830 17:16:57 -438.351429 17.5401 BFGS: 831 17:16:57 -438.590455 17.4432 BFGS: 832 17:16:57 -438.822540 17.0683 BFGS: 833 17:16:58 -439.064209 16.9138 BFGS: 834 17:16:58 -439.290391 16.4777 BFGS: 835 17:16:58 -439.530616 16.2234 BFGS: 836 17:16:58 -439.755453 15.7314 BFGS: 837 17:16:59 -439.997989 15.3748 BFGS: 838 17:16:59 -440.224306 14.8381 BFGS: 839 17:16:59 -440.469415 14.3947 BFGS: 840 17:16:59 -440.700818 13.8015 BFGS: 841 17:17:00 -440.952022 13.2814 BFGS: 842 17:17:00 -441.193403 12.6120 BFGS: 843 17:17:00 -441.454385 12.0396 BFGS: 844 17:17:00 -441.714996 11.2773 BFGS: 845 17:17:01 -442.007385 10.6418 BFGS: 846 17:17:01 -442.327557 10.9903 BFGS: 847 17:17:01 -442.686006 11.8927 BFGS: 848 17:17:01 -443.168700 12.8845 BFGS: 849 17:17:02 -443.626609 13.7565 BFGS: 850 17:17:02 -444.125784 14.3835 BFGS: 851 17:17:02 -444.631420 14.8711 BFGS: 852 17:17:02 -445.173506 15.1516 BFGS: 853 17:17:03 -445.759863 15.2628 BFGS: 854 17:17:03 -446.370971 15.1310 BFGS: 855 17:17:03 -447.022314 14.6905 BFGS: 856 17:17:03 -447.690447 13.8498 BFGS: 857 17:17:04 -448.375197 12.3621 BFGS: 858 17:17:04 -448.846658 11.5667 BFGS: 859 17:17:04 -449.196785 10.9787 BFGS: 860 17:17:04 -449.453005 10.3472 BFGS: 861 17:17:05 -449.644239 9.1673 BFGS: 862 17:17:05 -449.765738 9.0093 BFGS: 863 17:17:05 -449.851951 8.3706 BFGS: 864 17:17:05 -449.940796 8.5147 BFGS: 865 17:17:06 -450.012907 9.1055 BFGS: 866 17:17:06 -450.060658 9.1801 BFGS: 867 17:17:06 -450.109206 9.1116 BFGS: 868 17:17:06 -450.144071 9.3965 BFGS: 869 17:17:07 -450.179013 9.2543 BFGS: 870 17:17:07 -450.221581 9.4323 BFGS: 871 17:17:07 -450.263243 9.8032 BFGS: 872 17:17:07 -450.302117 10.0627 BFGS: 873 17:17:08 -450.337735 9.9682 BFGS: 874 17:17:08 -450.369882 9.7409 BFGS: 875 17:17:08 -450.392717 9.5105 BFGS: 876 17:17:08 -450.409540 9.6875 BFGS: 877 17:17:09 -450.422282 9.8346 BFGS: 878 17:17:09 -450.433993 9.8934 BFGS: 879 17:17:09 -450.448019 9.9101 BFGS: 880 17:17:10 -450.466069 9.8882 BFGS: 881 17:17:10 -450.487919 9.8566 BFGS: 882 17:17:10 -450.512913 9.8130 BFGS: 883 17:17:10 -450.540094 9.7656 BFGS: 884 17:17:11 -450.568539 9.7145 BFGS: 885 17:17:11 -450.597583 9.6631 BFGS: 886 17:17:11 -450.626568 9.6101 BFGS: 887 17:17:11 -450.655139 9.5570 BFGS: 888 17:17:12 -450.683254 9.5054 BFGS: 889 17:17:12 -450.710794 9.4486 BFGS: 890 17:17:12 -450.737758 9.3960 BFGS: 891 17:17:12 -450.764407 9.3435 BFGS: 892 17:17:13 -450.790818 9.2928 BFGS: 893 17:17:13 -450.817035 9.2403 BFGS: 894 17:17:13 -450.843514 9.1844 BFGS: 895 17:17:13 -450.870008 9.1354 BFGS: 896 17:17:14 -450.896966 9.0807 BFGS: 897 17:17:14 -450.924341 9.0273 BFGS: 898 17:17:14 -450.952242 8.9727 BFGS: 899 17:17:14 -450.980698 8.9175 BFGS: 900 17:17:15 -451.009756 8.8610 BFGS: 901 17:17:15 -451.039440 8.8033 BFGS: 902 17:17:15 -451.069705 8.7427 BFGS: 903 17:17:15 -451.100711 8.6835 BFGS: 904 17:17:16 -451.132151 8.6207 BFGS: 905 17:17:16 -451.164455 8.5556 BFGS: 906 17:17:16 -451.196939 8.4883 BFGS: 907 17:17:16 -451.230527 8.4172 BFGS: 908 17:17:17 -451.263737 8.3427 BFGS: 909 17:17:17 -451.299084 8.2675 BFGS: 910 17:17:17 -451.331976 8.1880 BFGS: 911 17:17:17 -451.369874 8.0981 BFGS: 912 17:17:18 -451.401220 8.0156 BFGS: 913 17:17:18 -451.441027 8.0106 BFGS: 914 17:17:18 -451.472911 8.0960 BFGS: 915 17:17:18 -451.511434 8.2238 BFGS: 916 17:17:19 -451.546463 8.3470 BFGS: 917 17:17:19 -451.583990 8.5003 BFGS: 918 17:17:19 -451.621711 8.6593 BFGS: 919 17:17:19 -451.663892 8.8453 BFGS: 920 17:17:20 -451.710367 9.0372 BFGS: 921 17:17:20 -451.766602 9.2584 BFGS: 922 17:17:20 -451.834220 9.4945 BFGS: 923 17:17:20 -451.922420 9.7550 BFGS: 924 17:17:21 -452.036332 10.0415 BFGS: 925 17:17:21 -452.198795 10.3712 BFGS: 926 17:17:21 -452.429219 10.7390 BFGS: 927 17:17:22 -452.638881 10.9508 BFGS: 928 17:17:22 -452.872025 11.0712 BFGS: 929 17:17:22 -453.102695 11.1025 BFGS: 930 17:17:22 -453.361305 11.0790 BFGS: 931 17:17:23 -453.627170 11.0056 BFGS: 932 17:17:23 -453.913779 10.8872 BFGS: 933 17:17:23 -454.207656 10.7346 BFGS: 934 17:17:23 -454.513291 10.5459 BFGS: 935 17:17:24 -454.826073 10.3251 BFGS: 936 17:17:24 -455.143395 10.0754 BFGS: 937 17:17:24 -455.460261 9.7911 BFGS: 938 17:17:24 -455.776319 9.4823 BFGS: 939 17:17:25 -456.084963 9.1454 BFGS: 940 17:17:25 -456.388175 8.7892 BFGS: 941 17:17:25 -456.680808 8.4080 BFGS: 942 17:17:25 -456.960457 8.0130 BFGS: 943 17:17:26 -457.224785 7.5989 BFGS: 944 17:17:26 -457.474143 7.1780 BFGS: 945 17:17:26 -457.705870 6.7350 BFGS: 946 17:17:27 -457.920476 6.2910 BFGS: 947 17:17:27 -458.115334 5.8254 BFGS: 948 17:17:27 -458.290339 5.3585 BFGS: 949 17:17:27 -458.445481 4.8824 BFGS: 950 17:17:28 -458.574815 4.8217 BFGS: 951 17:17:28 -458.681831 4.9291 BFGS: 952 17:17:28 -458.753351 4.9239 BFGS: 953 17:17:28 -458.774778 4.9684 BFGS: 954 17:17:29 -458.777712 4.9510 BFGS: 955 17:17:29 -458.780674 4.9862 BFGS: 956 17:17:29 -458.783573 5.0278 BFGS: 957 17:17:29 -458.785915 5.0497 BFGS: 958 17:17:30 -458.787949 5.0582 BFGS: 959 17:17:30 -458.789855 5.0588 BFGS: 960 17:17:30 -458.791697 5.0524 BFGS: 961 17:17:30 -458.793535 5.0421 BFGS: 962 17:17:31 -458.795386 5.0277 BFGS: 963 17:17:31 -458.797275 5.0107 BFGS: 964 17:17:31 -458.799193 4.9914 BFGS: 965 17:17:32 -458.801163 4.9699 BFGS: 966 17:17:32 -458.803174 4.9468 BFGS: 967 17:17:32 -458.805229 4.9219 BFGS: 968 17:17:32 -458.807316 4.8960 BFGS: 969 17:17:33 -458.809446 4.8692 BFGS: 970 17:17:33 -458.811545 4.8429 BFGS: 971 17:17:33 -458.813664 4.8158 BFGS: 972 17:17:33 -458.815710 4.7906 BFGS: 973 17:17:34 -458.817725 4.7655 BFGS: 974 17:17:34 -458.819579 4.7446 BFGS: 975 17:17:34 -458.821398 4.7236 BFGS: 976 17:17:35 -458.822801 4.7130 BFGS: 977 17:17:35 -458.824330 4.6963 BFGS: 978 17:17:35 -458.825117 4.7051 BFGS: 979 17:17:35 -458.826130 4.7198 BFGS: 980 17:17:36 -458.827270 4.7594 BFGS: 981 17:17:36 -458.828703 4.8191 BFGS: 982 17:17:36 -458.829683 4.8530 BFGS: 983 17:17:36 -458.830866 4.8693 BFGS: 984 17:17:37 -458.832362 4.8639 BFGS: 985 17:17:37 -458.834525 4.8406 BFGS: 986 17:17:37 -458.836639 4.8117 BFGS: 987 17:17:37 -458.839141 4.7889 BFGS: 988 17:17:38 -458.842223 4.7662 BFGS: 989 17:17:38 -458.846113 4.7475 BFGS: 990 17:17:38 -458.850583 4.7297 BFGS: 991 17:17:38 -458.856192 4.7110 BFGS: 992 17:17:39 -458.862217 4.6939 BFGS: 993 17:17:39 -458.869702 4.6741 BFGS: 994 17:17:39 -458.876957 4.6565 BFGS: 995 17:17:40 -458.886662 4.6325 BFGS: 996 17:17:40 -458.894880 4.6134 BFGS: 997 17:17:40 -458.905925 4.5868 BFGS: 998 17:17:40 -458.915911 4.5632 BFGS: 999 17:17:41 -458.928009 4.5336 BFGS: 1000 17:17:41 -458.939828 4.5460 BFGS: 1001 17:17:41 -458.953317 4.5714 BFGS: 1002 17:17:41 -458.966777 4.5919 BFGS: 1003 17:17:42 -458.982018 4.6083 BFGS: 1004 17:17:42 -458.996701 4.6242 BFGS: 1005 17:17:42 -459.014050 4.6336 BFGS: 1006 17:17:43 -459.029745 4.6419 BFGS: 1007 17:17:43 -459.049011 4.6416 BFGS: 1008 17:17:43 -459.065891 4.6416 BFGS: 1009 17:17:43 -459.086373 4.6321 BFGS: 1010 17:17:44 -459.104943 4.6231 BFGS: 1011 17:17:44 -459.126365 4.6051 BFGS: 1012 17:17:44 -459.146625 4.5854 BFGS: 1013 17:17:44 -459.169019 4.5564 BFGS: 1014 17:17:45 -459.190247 4.5261 BFGS: 1015 17:17:45 -459.213679 4.4846 BFGS: 1016 17:17:45 -459.235294 4.4438 BFGS: 1017 17:17:46 -459.259629 4.3883 BFGS: 1018 17:17:46 -459.281421 4.3363 BFGS: 1019 17:17:46 -459.306429 4.2665 BFGS: 1020 17:17:46 -459.328527 4.2012 BFGS: 1021 17:17:47 -459.353488 4.1165 BFGS: 1022 17:17:47 -459.375805 4.0367 BFGS: 1023 17:17:47 -459.400438 3.9345 BFGS: 1024 17:17:47 -459.422754 3.8358 BFGS: 1025 17:17:48 -459.447056 3.7124 BFGS: 1026 17:17:48 -459.468798 3.5924 BFGS: 1027 17:17:48 -459.492482 3.4421 BFGS: 1028 17:17:49 -459.513093 3.2950 BFGS: 1029 17:17:49 -459.535808 3.1059 BFGS: 1030 17:17:49 -459.554558 2.9262 BFGS: 1031 17:17:49 -459.575913 2.6723 BFGS: 1032 17:17:50 -459.591784 2.4403 BFGS: 1033 17:17:50 -459.610936 2.0383 BFGS: 1034 17:17:50 -459.622812 1.6654 BFGS: 1035 17:17:50 -459.633666 1.2744 BFGS: 1036 17:17:51 -459.651096 0.9478 BFGS: 1037 17:17:51 -459.662764 0.9583 BFGS: 1038 17:17:51 -459.673369 0.9357 BFGS: 1039 17:17:51 -459.683177 0.9094 BFGS: 1040 17:17:52 -459.692234 0.8706 BFGS: 1041 17:17:52 -459.700602 0.8288 BFGS: 1042 17:17:52 -459.708271 0.7813 BFGS: 1043 17:17:53 -459.715236 0.7363 BFGS: 1044 17:17:53 -459.721493 0.6859 BFGS: 1045 17:17:53 -459.727056 0.6376 BFGS: 1046 17:17:53 -459.731921 0.5869 BFGS: 1047 17:17:54 -459.736086 0.5365 BFGS: 1048 17:17:54 -459.739553 0.4850 BFGS: 1049 17:17:54 -459.742327 0.4350 BFGS: 1050 17:17:54 -459.744420 0.3869 BFGS: 1051 17:17:55 -459.745867 0.3414 BFGS: 1052 17:17:55 -459.746675 0.3021 BFGS: 1053 17:17:55 -459.746891 0.2972 BFGS: 1054 17:17:55 -459.746921 0.2964 BFGS: 1055 17:17:56 -459.746936 0.2982 BFGS: 1056 17:17:56 -459.746944 0.2994 BFGS: 1057 17:17:56 -459.746955 0.3005 BFGS: 1058 17:17:57 -459.746962 0.3014 BFGS: 1059 17:17:57 -459.746966 0.3011 BFGS: 1060 17:17:57 -459.746968 0.3008 BFGS: 1061 17:17:57 -459.746969 0.3018 BFGS: 1062 17:17:58 -459.746970 0.3029 BFGS: 1063 17:17:58 -459.746970 0.3036 BFGS: 1064 17:17:58 -459.746971 0.3029 BFGS: 1065 17:17:58 -459.746971 0.3033 BFGS: 1066 17:17:59 -459.746971 0.3032 BFGS: 1067 17:17:59 -459.746971 0.3037 BFGS: 1068 17:17:59 -459.746971 0.3038 BFGS: 1069 17:18:00 -459.746971 0.3039 BFGS: 1070 17:18:00 -459.746971 0.3040 BFGS: 1071 17:18:00 -459.746971 0.3041 BFGS: 1072 17:18:00 -459.746971 0.3041 BFGS: 1073 17:18:01 -459.746971 0.3041 BFGS: 1074 17:18:01 -459.746971 0.3041 BFGS: 1075 17:18:01 -459.746971 0.3041 BFGS: 1076 17:18:01 -459.746971 0.3041 BFGS: 1077 17:18:02 -459.746971 0.3042 BFGS: 1078 17:18:02 -459.746971 0.3043 BFGS: 1079 17:18:02 -459.746972 0.3045 BFGS: 1080 17:18:02 -459.746972 0.3049 BFGS: 1081 17:18:03 -459.746974 0.3054 BFGS: 1082 17:18:03 -459.746977 0.3061 BFGS: 1083 17:18:03 -459.746984 0.3072 BFGS: 1084 17:18:04 -459.747001 0.3085 BFGS: 1085 17:18:04 -459.747044 0.3102 BFGS: 1086 17:18:04 -459.747149 0.3120 BFGS: 1087 17:18:04 -459.747405 0.3129 BFGS: 1088 17:18:05 -459.748013 0.3093 BFGS: 1089 17:18:05 -459.749318 0.2916 BFGS: 1090 17:18:05 -459.751534 0.2411 BFGS: 1091 17:18:05 -459.753851 0.1489 BFGS: 1092 17:18:06 -459.754969 0.0692 BFGS: 1093 17:18:06 -459.755176 0.0225 BFGS: 1094 17:18:06 -459.755192 0.0104 BFGS: 1095 17:18:06 -459.755194 0.0031 BFGS: 1096 17:18:07 -459.755194 0.0010 BFGS: 1097 17:18:07 -459.755194 0.0004 BFGS: 1098 17:18:07 -459.755194 0.0002 BFGS: 1099 17:18:08 -459.755194 0.0001 BFGS: 1100 17:18:08 -459.755194 0.0000 BFGS: 1101 17:18:08 -459.755194 0.0000 BFGS: 1102 17:18:08 -459.755194 0.0000 BFGS: 1103 17:18:09 -459.755194 0.0000 BFGS: 1104 17:18:09 -459.755194 0.0000 BFGS: 1105 17:18:09 -459.755194 0.0000 BFGS: 1106 17:18:09 -459.755194 0.0000 BFGS: 1107 17:18:10 -459.755194 0.0000 BFGS: 1108 17:18:10 -459.755194 0.0000 BFGS: 1109 17:18:10 -459.755194 0.0000 BFGS: 1110 17:18:10 -459.755194 0.0000 Minimization converged after 1110 steps. Maximum force component: 7.285175998269007e-09 eV/Angstrom Maximum stress component: 5.620139780373721e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F', 'F'] basis = [[0.50693524 0.58632454 0.6562133 ] [0.49306476 0.41367546 0.3437867 ] [0.83412239 0.06006906 0.02301662] [0.16587761 0.93993094 0.97698338] [0.16401073 0.72240121 0.67392497] [0.83598927 0.27759879 0.32607503] [0.14706067 0.34707466 0.82633469] [0.85293933 0.65292534 0.17366531] [0.1677877 0.34439053 0.34228553] [0.8322123 0.65560947 0.65771447] [0.57783904 0.02615265 0.1774049 ] [0.42216096 0.97384735 0.8225951 ] [0.4173066 0.98283265 0.55129732] [0.5826934 0.01716735 0.44870268] [0.67317895 0.66216917 0.27110312] [0.32682105 0.33783083 0.72889688] [0.94778815 0.71244287 0.99111196] [0.05221185 0.28755713 0.00888804]] cellpar = Cell([[3.861214660618135, 1.3026824490018474, -0.27504768534877666], [-0.5299710339572873, 2.773283093522121, 1.9549013867523521], [-2.8962730578197515, -0.956818491777311, 2.467921740327742]]) forces = [[ 3.16318338e-09 -2.94137059e-09 1.48395130e-09] [-3.16318338e-09 2.94137059e-09 -1.48395130e-09] [ 5.54309464e-09 -5.74900287e-09 -2.27090785e-11] [-5.54309464e-09 5.74900287e-09 2.27090785e-11] [-6.56308701e-09 5.18289924e-09 5.92470548e-09] [ 6.56308701e-09 -5.18289924e-09 -5.92470548e-09] [-4.85842066e-09 -2.45902663e-09 9.80860308e-10] [ 4.85842066e-09 2.45902663e-09 -9.80860308e-10] [-2.82416911e-09 -3.14802197e-09 -1.10380056e-09] [ 2.82416911e-09 3.14802197e-09 1.10380056e-09] [ 3.97732949e-09 1.01953499e-09 3.12418204e-09] [-3.97732949e-09 -1.01953499e-09 -3.12418204e-09] [ 3.41001777e-09 1.08457166e-09 2.30414931e-09] [-3.41001777e-09 -1.08457166e-09 -2.30414931e-09] [-2.82464141e-09 -4.30091975e-09 7.28517600e-09] [ 2.82464141e-09 4.30091975e-09 -7.28517600e-09] [-4.78797827e-10 -5.87627778e-10 -1.60266261e-09] [ 4.78797827e-10 5.87627778e-10 1.60266261e-09]] stress = [ 2.28014732e-10 4.29974658e-10 2.10334131e-10 7.75679327e-11 -5.62013978e-10 -1.36071327e-10] energy per atom = -25.541955230200518 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0