element(s): ['O', 'Si'] AFLOW prototype label: A2B_oF48_70_ce_f Parameter names: ['a', 'b/a', 'c/a', 'x2', 'y3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.9525', '2.0629865', '0.21895002', '0.74086936', '0.93730469'] model name: Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'Si'] representative atom coordinates = [[0.125 0.125 0.125 ] [0.38413064 0. 0. ] [0. 0.18769531 0. ]] spacegroup = 70 cell = [[7.9525, 0, 0], [0, 16.4059, 0], [0, 0, 1.7412]] ========================================= Step Time Energy fmax BFGS: 0 16:10:46 626.150715 94.490125 BFGS: 1 16:10:47 613.943864 93.785794 BFGS: 2 16:10:47 607.011884 93.093721 BFGS: 3 16:10:48 600.519410 92.329739 BFGS: 4 16:10:48 594.023116 91.623730 BFGS: 5 16:10:48 587.571114 90.898006 BFGS: 6 16:10:48 581.080484 90.186050 BFGS: 7 16:10:48 574.564892 89.476469 BFGS: 8 16:10:49 568.023240 88.772382 BFGS: 9 16:10:49 561.463443 88.073266 BFGS: 10 16:10:49 554.891501 87.379605 BFGS: 11 16:10:49 548.313722 86.691571 BFGS: 12 16:10:49 541.735785 86.009395 BFGS: 13 16:10:49 535.162940 85.333270 BFGS: 14 16:10:49 528.599962 84.663378 BFGS: 15 16:10:49 522.051189 83.999880 BFGS: 16 16:10:49 515.520549 83.342926 BFGS: 17 16:10:49 509.011588 82.692649 BFGS: 18 16:10:50 502.527500 82.049168 BFGS: 19 16:10:50 496.071153 81.412586 BFGS: 20 16:10:50 489.645116 80.782994 BFGS: 21 16:10:51 483.251836 80.155398 BFGS: 22 16:10:51 476.891369 79.534879 BFGS: 23 16:10:51 470.566573 78.921273 BFGS: 24 16:10:52 464.279804 78.314951 BFGS: 25 16:10:52 458.033075 77.715476 BFGS: 26 16:10:52 451.828052 77.122576 BFGS: 27 16:10:53 445.666629 76.538083 BFGS: 28 16:10:53 439.549688 75.960892 BFGS: 29 16:10:54 433.477952 75.390976 BFGS: 30 16:10:54 427.451968 74.828297 BFGS: 31 16:10:54 421.472169 74.272807 BFGS: 32 16:10:55 415.538883 73.724448 BFGS: 33 16:10:55 409.652351 73.183147 BFGS: 34 16:10:56 403.812727 72.648823 BFGS: 35 16:10:56 398.020094 72.121382 BFGS: 36 16:10:56 392.274465 71.600720 BFGS: 37 16:10:57 386.575788 71.086722 BFGS: 38 16:10:57 380.923953 70.579264 BFGS: 39 16:10:58 375.318797 70.078210 BFGS: 40 16:10:58 369.760108 69.583418 BFGS: 41 16:10:59 364.247627 69.094736 BFGS: 42 16:10:59 358.781054 68.612006 BFGS: 43 16:10:59 353.360054 68.135063 BFGS: 44 16:10:59 347.984254 67.663737 BFGS: 45 16:11:00 342.653254 67.197854 BFGS: 46 16:11:00 337.366627 66.737239 BFGS: 47 16:11:00 332.123922 66.281714 BFGS: 48 16:11:01 326.924670 65.831100 BFGS: 49 16:11:01 321.768467 65.382782 BFGS: 50 16:11:01 316.654925 64.938770 BFGS: 51 16:11:01 311.583438 64.500535 BFGS: 52 16:11:02 306.553927 64.071899 BFGS: 53 16:11:02 301.568106 63.647398 BFGS: 54 16:11:03 296.624935 63.226877 BFGS: 55 16:11:03 291.723568 62.810190 BFGS: 56 16:11:03 286.863261 62.397203 BFGS: 57 16:11:04 282.043327 61.987793 BFGS: 58 16:11:04 277.263152 61.579696 BFGS: 59 16:11:04 272.521325 61.173074 BFGS: 60 16:11:04 267.816677 60.769692 BFGS: 61 16:11:05 263.148944 60.369475 BFGS: 62 16:11:05 258.517755 59.972590 BFGS: 63 16:11:05 253.922592 59.579662 BFGS: 64 16:11:05 249.363364 59.189700 BFGS: 65 16:11:05 244.839893 58.802673 BFGS: 66 16:11:05 240.351935 58.418531 BFGS: 67 16:11:06 235.899229 58.035889 BFGS: 68 16:11:06 231.482815 57.655010 BFGS: 69 16:11:06 227.102286 57.276945 BFGS: 70 16:11:07 222.757165 56.901647 BFGS: 71 16:11:07 218.447016 56.529079 BFGS: 72 16:11:07 214.171413 56.159205 BFGS: 73 16:11:08 209.929942 55.791990 BFGS: 74 16:11:08 205.722203 55.427402 BFGS: 75 16:11:08 201.547810 55.065406 BFGS: 76 16:11:09 197.406392 54.705971 BFGS: 77 16:11:09 193.297587 54.349064 BFGS: 78 16:11:10 189.221049 53.994655 BFGS: 79 16:11:10 185.176443 53.642712 BFGS: 80 16:11:11 181.163443 53.293206 BFGS: 81 16:11:11 177.181734 52.946107 BFGS: 82 16:11:11 173.231012 52.601386 BFGS: 83 16:11:12 169.310979 52.259014 BFGS: 84 16:11:12 165.421348 51.918963 BFGS: 85 16:11:13 161.561838 51.581205 BFGS: 86 16:11:13 157.732177 51.245713 BFGS: 87 16:11:13 153.932098 50.912459 BFGS: 88 16:11:14 150.161341 50.581418 BFGS: 89 16:11:14 146.419655 50.252563 BFGS: 90 16:11:15 142.706790 49.925868 BFGS: 91 16:11:15 139.022504 49.601308 BFGS: 92 16:11:15 135.366561 49.278859 BFGS: 93 16:11:15 131.738729 48.958494 BFGS: 94 16:11:16 128.138780 48.640191 BFGS: 95 16:11:16 124.566491 48.323924 BFGS: 96 16:11:16 121.021644 48.009299 BFGS: 97 16:11:16 117.504057 47.693356 BFGS: 98 16:11:17 114.013059 47.379760 BFGS: 99 16:11:17 110.548589 47.068114 BFGS: 100 16:11:17 107.110564 46.758393 BFGS: 101 16:11:17 103.698835 46.451784 BFGS: 102 16:11:18 100.313497 46.147474 BFGS: 103 16:11:18 96.954440 45.845027 BFGS: 104 16:11:19 93.621453 45.544419 BFGS: 105 16:11:19 90.314506 45.245634 BFGS: 106 16:11:20 87.033547 44.948783 BFGS: 107 16:11:20 83.778586 44.652558 BFGS: 108 16:11:20 80.549660 44.358111 BFGS: 109 16:11:20 77.346440 44.065422 BFGS: 110 16:11:21 74.168660 43.774469 BFGS: 111 16:11:21 71.016083 43.485234 BFGS: 112 16:11:21 67.888490 43.197698 BFGS: 113 16:11:22 64.785671 42.911841 BFGS: 114 16:11:22 61.707426 42.627645 BFGS: 115 16:11:23 58.653561 42.345091 BFGS: 116 16:11:23 55.623888 42.064162 BFGS: 117 16:11:24 52.618220 41.784838 BFGS: 118 16:11:24 49.636391 41.507091 BFGS: 119 16:11:25 46.678336 41.230938 BFGS: 120 16:11:25 43.743985 40.956370 BFGS: 121 16:11:25 40.833243 40.683365 BFGS: 122 16:11:26 37.945983 40.411904 BFGS: 123 16:11:26 35.082057 40.141968 BFGS: 124 16:11:26 32.241301 39.873539 BFGS: 125 16:11:26 29.423548 39.606599 BFGS: 126 16:11:26 26.628622 39.341132 BFGS: 127 16:11:27 23.856358 39.077099 BFGS: 128 16:11:27 21.106830 38.814507 BFGS: 129 16:11:27 18.379943 38.554477 BFGS: 130 16:11:27 15.674706 38.295825 BFGS: 131 16:11:28 12.990936 38.038535 BFGS: 132 16:11:28 10.328448 37.783978 BFGS: 133 16:11:28 7.687012 37.532389 BFGS: 134 16:11:29 5.066579 37.282110 BFGS: 135 16:11:29 2.467068 37.033134 BFGS: 136 16:11:29 -0.111676 36.785451 BFGS: 137 16:11:29 -2.669815 36.539048 BFGS: 138 16:11:29 -5.207507 36.293913 BFGS: 139 16:11:29 -7.724904 36.050033 BFGS: 140 16:11:29 -10.222155 35.807396 BFGS: 141 16:11:29 -12.699404 35.565990 BFGS: 142 16:11:29 -15.156793 35.325801 BFGS: 143 16:11:29 -17.594461 35.086819 BFGS: 144 16:11:30 -20.012545 34.849032 BFGS: 145 16:11:30 -22.411182 34.612427 BFGS: 146 16:11:30 -24.790504 34.376995 BFGS: 147 16:11:31 -27.150644 34.142722 BFGS: 148 16:11:31 -29.491734 33.909599 BFGS: 149 16:11:31 -31.813901 33.677614 BFGS: 150 16:11:31 -34.117276 33.446758 BFGS: 151 16:11:31 -36.401984 33.217018 BFGS: 152 16:11:32 -38.668151 32.988387 BFGS: 153 16:11:32 -40.915903 32.760852 BFGS: 154 16:11:32 -43.145361 32.534405 BFGS: 155 16:11:32 -45.356650 32.309195 BFGS: 156 16:11:33 -47.549863 32.085545 BFGS: 157 16:11:33 -49.724989 31.862947 BFGS: 158 16:11:33 -51.882188 31.641394 BFGS: 159 16:11:34 -54.021609 31.420880 BFGS: 160 16:11:34 -56.143390 31.201396 BFGS: 161 16:11:34 -58.247662 30.982935 BFGS: 162 16:11:35 -60.334553 30.765490 BFGS: 163 16:11:35 -62.404183 30.549052 BFGS: 164 16:11:36 -64.456674 30.333614 BFGS: 165 16:11:36 -66.492143 30.119170 BFGS: 166 16:11:36 -68.510704 29.905710 BFGS: 167 16:11:36 -70.512472 29.693229 BFGS: 168 16:11:37 -72.497557 29.481719 BFGS: 169 16:11:37 -74.466073 29.271174 BFGS: 170 16:11:37 -76.418127 29.061587 BFGS: 171 16:11:37 -78.353828 28.852951 BFGS: 172 16:11:37 -80.273284 28.645261 BFGS: 173 16:11:37 -82.176600 28.438510 BFGS: 174 16:11:37 -84.063926 28.234424 BFGS: 175 16:11:37 -85.935086 28.031416 BFGS: 176 16:11:38 -87.790270 27.829331 BFGS: 177 16:11:38 -89.629637 27.628163 BFGS: 178 16:11:38 -91.453317 27.427908 BFGS: 179 16:11:38 -93.261430 27.228562 BFGS: 180 16:11:38 -95.054092 27.030122 BFGS: 181 16:11:38 -96.831412 26.832583 BFGS: 182 16:11:38 -98.593500 26.635942 BFGS: 183 16:11:38 -100.340462 26.440195 BFGS: 184 16:11:39 -102.072401 26.245338 BFGS: 185 16:11:39 -103.789422 26.051368 BFGS: 186 16:11:39 -105.491625 25.858282 BFGS: 187 16:11:39 -107.179110 25.666077 BFGS: 188 16:11:39 -108.851977 25.474750 BFGS: 189 16:11:39 -110.510323 25.284298 BFGS: 190 16:11:39 -112.154246 25.094720 BFGS: 191 16:11:39 -113.783841 24.906013 BFGS: 192 16:11:39 -115.399204 24.718175 BFGS: 193 16:11:40 -117.000430 24.531205 BFGS: 194 16:11:40 -118.587613 24.345182 BFGS: 195 16:11:40 -120.160949 24.160140 BFGS: 196 16:11:40 -121.720631 23.975966 BFGS: 197 16:11:40 -123.266727 23.792657 BFGS: 198 16:11:40 -124.799307 23.610210 BFGS: 199 16:11:40 -126.318445 23.428624 BFGS: 200 16:11:40 -127.824218 23.247899 BFGS: 201 16:11:41 -129.316704 23.068033 BFGS: 202 16:11:41 -130.795983 22.889028 BFGS: 203 16:11:41 -132.262172 22.711540 BFGS: 204 16:11:41 -133.715886 22.535986 BFGS: 205 16:11:42 -135.157076 22.361255 BFGS: 206 16:11:42 -136.585792 22.187353 BFGS: 207 16:11:42 -138.002103 22.014285 BFGS: 208 16:11:43 -139.406081 21.842056 BFGS: 209 16:11:43 -140.797798 21.670670 BFGS: 210 16:11:43 -142.177323 21.500130 BFGS: 211 16:11:43 -143.544731 21.330718 BFGS: 212 16:11:43 -144.900086 21.162697 BFGS: 213 16:11:43 -146.243409 20.995524 BFGS: 214 16:11:44 -147.574789 20.829206 BFGS: 215 16:11:44 -148.894309 20.663750 BFGS: 216 16:11:44 -150.202050 20.499163 BFGS: 217 16:11:44 -151.498087 20.335452 BFGS: 218 16:11:44 -152.782499 20.172677 BFGS: 219 16:11:44 -154.055395 20.010834 BFGS: 220 16:11:45 -155.316871 19.849880 BFGS: 221 16:11:45 -156.566999 19.689869 BFGS: 222 16:11:45 -157.805850 19.530811 BFGS: 223 16:11:45 -159.033494 19.372651 BFGS: 224 16:11:45 -160.250011 19.215400 BFGS: 225 16:11:46 -161.455476 19.059066 BFGS: 226 16:11:46 -162.649964 18.903660 BFGS: 227 16:11:46 -163.833548 18.749190 BFGS: 228 16:11:46 -165.006298 18.595666 BFGS: 229 16:11:46 -166.168286 18.443097 BFGS: 230 16:11:47 -167.319587 18.291980 BFGS: 231 16:11:47 -168.460417 18.143254 BFGS: 232 16:11:47 -169.590999 17.995474 BFGS: 233 16:11:47 -170.711423 17.848655 BFGS: 234 16:11:47 -171.821769 17.702811 BFGS: 235 16:11:47 -172.922114 17.557955 BFGS: 236 16:11:48 -174.012528 17.414101 BFGS: 237 16:11:48 -175.093084 17.271261 BFGS: 238 16:11:48 -176.163851 17.129447 BFGS: 239 16:11:48 -177.224896 16.988673 BFGS: 240 16:11:48 -178.276289 16.848951 BFGS: 241 16:11:49 -179.318097 16.710292 BFGS: 242 16:11:49 -180.350390 16.572709 BFGS: 243 16:11:49 -181.373235 16.436215 BFGS: 244 16:11:49 -182.386702 16.300821 BFGS: 245 16:11:49 -183.390861 16.166540 BFGS: 246 16:11:50 -184.385782 16.033385 BFGS: 247 16:11:50 -185.371536 15.901368 BFGS: 248 16:11:50 -186.348195 15.770501 BFGS: 249 16:11:50 -187.315831 15.640797 BFGS: 250 16:11:50 -188.274519 15.512268 BFGS: 251 16:11:51 -189.224331 15.384927 BFGS: 252 16:11:51 -190.165342 15.258786 BFGS: 253 16:11:51 -191.097629 15.133857 BFGS: 254 16:11:51 -192.021262 15.009986 BFGS: 255 16:11:51 -192.936235 14.887264 BFGS: 256 16:11:52 -193.842596 14.765818 BFGS: 257 16:11:52 -194.740434 14.645648 BFGS: 258 16:11:52 -195.629837 14.526762 BFGS: 259 16:11:52 -196.510888 14.409169 BFGS: 260 16:11:52 -197.383673 14.292879 BFGS: 261 16:11:52 -198.248277 14.177902 BFGS: 262 16:11:53 -199.104788 14.064247 BFGS: 263 16:11:53 -199.953292 13.951923 BFGS: 264 16:11:53 -200.793876 13.840939 BFGS: 265 16:11:53 -201.626630 13.731301 BFGS: 266 16:11:53 -202.451641 13.623018 BFGS: 267 16:11:53 -203.269000 13.516095 BFGS: 268 16:11:54 -204.078797 13.410537 BFGS: 269 16:11:54 -204.881121 13.306351 BFGS: 270 16:11:54 -205.676063 13.203589 BFGS: 271 16:11:54 -206.463731 13.102727 BFGS: 272 16:11:54 -207.244203 13.003243 BFGS: 273 16:11:54 -208.017576 12.905137 BFGS: 274 16:11:54 -208.783943 12.808439 BFGS: 275 16:11:55 -209.543440 12.713196 BFGS: 276 16:11:55 -210.296220 12.619337 BFGS: 277 16:11:55 -211.042369 12.526855 BFGS: 278 16:11:55 -211.781971 12.435742 BFGS: 279 16:11:55 -212.515114 12.345988 BFGS: 280 16:11:56 -213.241884 12.257584 BFGS: 281 16:11:56 -213.962370 12.170520 BFGS: 282 16:11:56 -214.676661 12.084784 BFGS: 283 16:11:56 -215.384846 12.000361 BFGS: 284 16:11:56 -216.087012 11.917238 BFGS: 285 16:11:56 -216.783248 11.835397 BFGS: 286 16:11:57 -217.473643 11.754821 BFGS: 287 16:11:57 -218.158283 11.675490 BFGS: 288 16:11:57 -218.837256 11.597383 BFGS: 289 16:11:57 -219.510647 11.520477 BFGS: 290 16:11:57 -220.178541 11.444749 BFGS: 291 16:11:58 -220.841024 11.370173 BFGS: 292 16:11:58 -221.498177 11.296721 BFGS: 293 16:11:58 -222.150082 11.224366 BFGS: 294 16:11:58 -222.796821 11.153079 BFGS: 295 16:11:58 -223.438473 11.082829 BFGS: 296 16:11:59 -224.075114 11.013585 BFGS: 297 16:11:59 -224.706823 10.945314 BFGS: 298 16:11:59 -225.333673 10.877985 BFGS: 299 16:11:59 -225.955738 10.811564 BFGS: 300 16:11:59 -226.573089 10.746017 BFGS: 301 16:12:00 -227.185796 10.681311 BFGS: 302 16:12:00 -227.793926 10.617412 BFGS: 303 16:12:00 -228.397547 10.554288 BFGS: 304 16:12:00 -228.996721 10.491905 BFGS: 305 16:12:00 -229.591513 10.430232 BFGS: 306 16:12:01 -230.181982 10.369237 BFGS: 307 16:12:01 -230.768176 10.308254 BFGS: 308 16:12:01 -231.350043 10.247361 BFGS: 309 16:12:01 -231.927600 10.187061 BFGS: 310 16:12:01 -232.500916 10.127323 BFGS: 311 16:12:02 -233.070052 10.068121 BFGS: 312 16:12:02 -233.635067 10.009433 BFGS: 313 16:12:02 -234.196016 9.951238 BFGS: 314 16:12:02 -234.752951 9.893518 BFGS: 315 16:12:02 -235.305923 9.836255 BFGS: 316 16:12:03 -235.854978 9.779434 BFGS: 317 16:12:03 -236.400163 9.723039 BFGS: 318 16:12:03 -236.941522 9.667058 BFGS: 319 16:12:03 -237.479098 9.611480 BFGS: 320 16:12:03 -238.012932 9.556292 BFGS: 321 16:12:03 -238.543064 9.501488 BFGS: 322 16:12:04 -239.069533 9.447057 BFGS: 323 16:12:04 -239.592378 9.392994 BFGS: 324 16:12:04 -240.111636 9.339292 BFGS: 325 16:12:04 -240.627342 9.285945 BFGS: 326 16:12:04 -241.139533 9.232948 BFGS: 327 16:12:05 -241.648243 9.180297 BFGS: 328 16:12:05 -242.153474 9.126247 BFGS: 329 16:12:05 -242.655244 9.072080 BFGS: 330 16:12:05 -243.153593 9.018288 BFGS: 331 16:12:05 -243.648546 8.964850 BFGS: 332 16:12:05 -244.140129 8.911754 BFGS: 333 16:12:06 -244.628369 8.858993 BFGS: 334 16:12:06 -245.113291 8.806561 BFGS: 335 16:12:06 -245.594924 8.754453 BFGS: 336 16:12:06 -246.073293 8.702666 BFGS: 337 16:12:06 -246.548426 8.651196 BFGS: 338 16:12:07 -247.020349 8.600039 BFGS: 339 16:12:07 -247.489090 8.549193 BFGS: 340 16:12:07 -247.954675 8.498655 BFGS: 341 16:12:07 -248.417131 8.448422 BFGS: 342 16:12:07 -248.876482 8.398491 BFGS: 343 16:12:07 -249.332756 8.348859 BFGS: 344 16:12:08 -249.785978 8.299525 BFGS: 345 16:12:08 -250.236172 8.250484 BFGS: 346 16:12:08 -250.683364 8.201736 BFGS: 347 16:12:08 -251.127578 8.153277 BFGS: 348 16:12:08 -251.568839 8.105106 BFGS: 349 16:12:09 -252.007171 8.057219 BFGS: 350 16:12:09 -252.442597 8.009614 BFGS: 351 16:12:09 -252.875141 7.962290 BFGS: 352 16:12:09 -253.304826 7.915243 BFGS: 353 16:12:09 -253.731675 7.868472 BFGS: 354 16:12:09 -254.155710 7.821975 BFGS: 355 16:12:10 -254.576954 7.775749 BFGS: 356 16:12:10 -254.995428 7.729792 BFGS: 357 16:12:10 -255.411155 7.684102 BFGS: 358 16:12:10 -255.824156 7.638678 BFGS: 359 16:12:10 -256.234452 7.593516 BFGS: 360 16:12:11 -256.642064 7.548616 BFGS: 361 16:12:11 -257.047013 7.503975 BFGS: 362 16:12:11 -257.449319 7.459591 BFGS: 363 16:12:11 -257.849003 7.415462 BFGS: 364 16:12:11 -258.246085 7.371634 BFGS: 365 16:12:12 -258.640589 7.328060 BFGS: 366 16:12:12 -259.032534 7.284735 BFGS: 367 16:12:12 -259.421940 7.241658 BFGS: 368 16:12:12 -259.808824 7.198827 BFGS: 369 16:12:12 -260.193207 7.156255 BFGS: 370 16:12:13 -260.575120 7.114471 BFGS: 371 16:12:13 -260.954576 7.072915 BFGS: 372 16:12:13 -261.331609 7.031994 BFGS: 373 16:12:13 -261.706272 6.991407 BFGS: 374 16:12:13 -262.078586 6.951097 BFGS: 375 16:12:14 -262.448568 6.911034 BFGS: 376 16:12:14 -262.816236 6.871205 BFGS: 377 16:12:14 -263.181605 6.831607 BFGS: 378 16:12:14 -263.544692 6.792239 BFGS: 379 16:12:14 -263.905513 6.753099 BFGS: 380 16:12:15 -264.264084 6.714185 BFGS: 381 16:12:15 -264.620422 6.675496 BFGS: 382 16:12:15 -264.974541 6.637030 BFGS: 383 16:12:15 -265.326459 6.598786 BFGS: 384 16:12:15 -265.676191 6.560763 BFGS: 385 16:12:16 -266.023753 6.522959 BFGS: 386 16:12:16 -266.369160 6.485374 BFGS: 387 16:12:16 -266.712427 6.448005 BFGS: 388 16:12:16 -267.053570 6.410853 BFGS: 389 16:12:16 -267.392603 6.373916 BFGS: 390 16:12:16 -267.729543 6.337193 BFGS: 391 16:12:17 -268.064403 6.300683 BFGS: 392 16:12:17 -268.397199 6.264385 BFGS: 393 16:12:17 -268.727944 6.228299 BFGS: 394 16:12:17 -269.056654 6.192423 BFGS: 395 16:12:17 -269.383343 6.156756 BFGS: 396 16:12:18 -269.708025 6.121298 BFGS: 397 16:12:18 -270.030715 6.086048 BFGS: 398 16:12:18 -270.351425 6.051005 BFGS: 399 16:12:18 -270.670171 6.016169 BFGS: 400 16:12:18 -270.986966 5.981539 BFGS: 401 16:12:19 -271.301824 5.947115 BFGS: 402 16:12:19 -271.614758 5.912894 BFGS: 403 16:12:19 -271.925782 5.878879 BFGS: 404 16:12:19 -272.234909 5.845066 BFGS: 405 16:12:20 -272.542153 5.811457 BFGS: 406 16:12:20 -272.847526 5.778051 BFGS: 407 16:12:20 -273.151043 5.744847 BFGS: 408 16:12:20 -273.452716 5.711845 BFGS: 409 16:12:20 -273.752551 5.678305 BFGS: 410 16:12:21 -274.050495 5.643540 BFGS: 411 16:12:21 -274.346558 5.608967 BFGS: 412 16:12:21 -274.640750 5.574592 BFGS: 413 16:12:21 -274.933079 5.540421 BFGS: 414 16:12:21 -275.223555 5.506455 BFGS: 415 16:12:22 -275.512190 5.472695 BFGS: 416 16:12:22 -275.798994 5.439140 BFGS: 417 16:12:22 -276.083968 5.405208 BFGS: 418 16:12:22 -276.367102 5.371516 BFGS: 419 16:12:22 -276.648409 5.338051 BFGS: 420 16:12:23 -276.927903 5.304802 BFGS: 421 16:12:23 -277.205596 5.271766 BFGS: 422 16:12:23 -277.481501 5.238938 BFGS: 423 16:12:23 -277.755629 5.206316 BFGS: 424 16:12:23 -278.027993 5.173902 BFGS: 425 16:12:24 -278.298605 5.141693 BFGS: 426 16:12:24 -278.567477 5.109690 BFGS: 427 16:12:24 -278.834621 5.077893 BFGS: 428 16:12:24 -279.100049 5.046302 BFGS: 429 16:12:24 -279.363772 5.014918 BFGS: 430 16:12:25 -279.625803 4.983742 BFGS: 431 16:12:25 -279.886154 4.952772 BFGS: 432 16:12:25 -280.144837 4.922011 BFGS: 433 16:12:26 -280.401863 4.891458 BFGS: 434 16:12:26 -280.657245 4.861114 BFGS: 435 16:12:26 -280.910994 4.830979 BFGS: 436 16:12:26 -281.163122 4.801055 BFGS: 437 16:12:27 -281.413641 4.771341 BFGS: 438 16:12:27 -281.662564 4.741839 BFGS: 439 16:12:27 -281.909901 4.712548 BFGS: 440 16:12:27 -282.155666 4.683453 BFGS: 441 16:12:27 -282.399843 4.653717 BFGS: 442 16:12:27 -282.642423 4.624189 BFGS: 443 16:12:28 -282.883415 4.594874 BFGS: 444 16:12:28 -283.122830 4.565777 BFGS: 445 16:12:28 -283.360679 4.536898 BFGS: 446 16:12:28 -283.596973 4.508239 BFGS: 447 16:12:29 -283.831723 4.479801 BFGS: 448 16:12:29 -284.064942 4.451586 BFGS: 449 16:12:29 -284.296641 4.423592 BFGS: 450 16:12:29 -284.526832 4.395823 BFGS: 451 16:12:30 -284.755527 4.368277 BFGS: 452 16:12:30 -284.982739 4.340957 BFGS: 453 16:12:31 -285.208480 4.313862 BFGS: 454 16:12:31 -285.432762 4.286995 BFGS: 455 16:12:31 -285.655598 4.260355 BFGS: 456 16:12:31 -285.877000 4.233944 BFGS: 457 16:12:31 -286.096981 4.207762 BFGS: 458 16:12:32 -286.315552 4.181811 BFGS: 459 16:12:32 -286.532728 4.156092 BFGS: 460 16:12:32 -286.748519 4.130605 BFGS: 461 16:12:32 -286.962940 4.105351 BFGS: 462 16:12:33 -287.176002 4.080331 BFGS: 463 16:12:33 -287.387718 4.055546 BFGS: 464 16:12:33 -287.598119 4.031822 BFGS: 465 16:12:33 -287.807240 4.008615 BFGS: 466 16:12:33 -288.015098 3.985666 BFGS: 467 16:12:34 -288.221709 3.962962 BFGS: 468 16:12:34 -288.427088 3.940500 BFGS: 469 16:12:34 -288.631249 3.918275 BFGS: 470 16:12:34 -288.834207 3.896287 BFGS: 471 16:12:34 -289.035975 3.874534 BFGS: 472 16:12:35 -289.236567 3.853018 BFGS: 473 16:12:35 -289.435995 3.831737 BFGS: 474 16:12:35 -289.634273 3.810693 BFGS: 475 16:12:35 -289.831413 3.789885 BFGS: 476 16:12:35 -290.027429 3.769314 BFGS: 477 16:12:36 -290.222334 3.748979 BFGS: 478 16:12:36 -290.416139 3.728881 BFGS: 479 16:12:36 -290.608858 3.709019 BFGS: 480 16:12:37 -290.800504 3.689394 BFGS: 481 16:12:38 -290.991089 3.670005 BFGS: 482 16:12:38 -291.180626 3.650852 BFGS: 483 16:12:39 -291.369128 3.631933 BFGS: 484 16:12:40 -291.556607 3.613250 BFGS: 485 16:12:40 -291.743076 3.594800 BFGS: 486 16:12:41 -291.928547 3.576583 BFGS: 487 16:12:41 -292.113033 3.558598 BFGS: 488 16:12:41 -292.296546 3.540844 BFGS: 489 16:12:41 -292.479099 3.523318 BFGS: 490 16:12:41 -292.660704 3.506021 BFGS: 491 16:12:41 -292.841372 3.488950 BFGS: 492 16:12:41 -293.021117 3.472103 BFGS: 493 16:12:42 -293.199949 3.455478 BFGS: 494 16:12:42 -293.377882 3.439074 BFGS: 495 16:12:42 -293.554926 3.422887 BFGS: 496 16:12:42 -293.731094 3.406917 BFGS: 497 16:12:42 -293.906397 3.391159 BFGS: 498 16:12:42 -294.080848 3.375832 BFGS: 499 16:12:42 -294.254482 3.360947 BFGS: 500 16:12:42 -294.427314 3.346268 BFGS: 501 16:12:42 -294.599355 3.331794 BFGS: 502 16:12:43 -294.770615 3.317518 BFGS: 503 16:12:43 -294.941103 3.303438 BFGS: 504 16:12:43 -295.110831 3.289549 BFGS: 505 16:12:43 -295.279807 3.275847 BFGS: 506 16:12:43 -295.448042 3.262329 BFGS: 507 16:12:43 -295.615545 3.248991 BFGS: 508 16:12:43 -295.782326 3.235827 BFGS: 509 16:12:44 -295.948394 3.222835 BFGS: 510 16:12:44 -296.113757 3.210010 BFGS: 511 16:12:45 -296.278426 3.197347 BFGS: 512 16:12:45 -296.442409 3.184869 BFGS: 513 16:12:46 -296.605715 3.172552 BFGS: 514 16:12:46 -296.768353 3.160383 BFGS: 515 16:12:47 -296.930331 3.148358 BFGS: 516 16:12:48 -297.091657 3.136473 BFGS: 517 16:12:48 -297.252340 3.124725 BFGS: 518 16:12:49 -297.412387 3.113108 BFGS: 519 16:12:49 -297.571804 3.101620 BFGS: 520 16:12:50 -297.730601 3.090256 BFGS: 521 16:12:50 -297.888782 3.079012 BFGS: 522 16:12:50 -298.046355 3.067885 BFGS: 523 16:12:51 -298.203326 3.056871 BFGS: 524 16:12:51 -298.359701 3.045966 BFGS: 525 16:12:52 -298.515487 3.035167 BFGS: 526 16:12:52 -298.670688 3.024469 BFGS: 527 16:12:52 -298.825311 3.013871 BFGS: 528 16:12:53 -298.979361 3.003367 BFGS: 529 16:12:53 -299.132844 2.992957 BFGS: 530 16:12:53 -299.285763 2.982636 BFGS: 531 16:12:53 -299.438125 2.972402 BFGS: 532 16:12:53 -299.589934 2.962252 BFGS: 533 16:12:54 -299.741194 2.952183 BFGS: 534 16:12:54 -299.891910 2.942194 BFGS: 535 16:12:54 -300.042087 2.932283 BFGS: 536 16:12:54 -300.191728 2.922447 BFGS: 537 16:12:54 -300.340838 2.912684 BFGS: 538 16:12:55 -300.489421 2.902993 BFGS: 539 16:12:55 -300.637481 2.893372 BFGS: 540 16:12:55 -300.785021 2.883819 BFGS: 541 16:12:56 -300.932045 2.874334 BFGS: 542 16:12:56 -301.078558 2.864915 BFGS: 543 16:12:56 -301.224562 2.855561 BFGS: 544 16:12:57 -301.370062 2.846271 BFGS: 545 16:12:57 -301.515061 2.837044 BFGS: 546 16:12:57 -301.659561 2.827879 BFGS: 547 16:12:58 -301.803568 2.818776 BFGS: 548 16:12:58 -301.947083 2.809733 BFGS: 549 16:12:58 -302.090111 2.800751 BFGS: 550 16:12:59 -302.232655 2.791828 BFGS: 551 16:13:00 -302.374717 2.782964 BFGS: 552 16:13:00 -302.516302 2.774158 BFGS: 553 16:13:01 -302.657412 2.765411 BFGS: 554 16:13:01 -302.798050 2.756721 BFGS: 555 16:13:02 -302.938221 2.748088 BFGS: 556 16:13:02 -303.077926 2.739512 BFGS: 557 16:13:03 -303.217217 2.733390 BFGS: 558 16:13:03 -303.356181 2.727899 BFGS: 559 16:13:04 -303.494821 2.722453 BFGS: 560 16:13:04 -303.633142 2.717055 BFGS: 561 16:13:05 -303.771147 2.711703 BFGS: 562 16:13:05 -303.908841 2.706398 BFGS: 563 16:13:06 -304.046225 2.701140 BFGS: 564 16:13:06 -304.183305 2.695889 BFGS: 565 16:13:07 -304.320076 2.690653 BFGS: 566 16:13:08 -304.456541 2.685466 BFGS: 567 16:13:08 -304.592702 2.680328 BFGS: 568 16:13:08 -304.728564 2.675237 BFGS: 569 16:13:09 -304.864129 2.670194 BFGS: 570 16:13:09 -304.999396 2.664664 BFGS: 571 16:13:10 -305.134323 2.658444 BFGS: 572 16:13:10 -305.268905 2.652261 BFGS: 573 16:13:10 -305.403142 2.646118 BFGS: 574 16:13:11 -305.537036 2.640017 BFGS: 575 16:13:11 -305.670588 2.633959 BFGS: 576 16:13:12 -305.803800 2.627945 BFGS: 577 16:13:12 -305.936675 2.621974 BFGS: 578 16:13:12 -306.069215 2.616048 BFGS: 579 16:13:13 -306.201424 2.610167 BFGS: 580 16:13:13 -306.333303 2.604330 BFGS: 581 16:13:13 -306.464857 2.598537 BFGS: 582 16:13:14 -306.596086 2.592789 BFGS: 583 16:13:14 -306.726995 2.587085 BFGS: 584 16:13:15 -306.857586 2.581425 BFGS: 585 16:13:15 -306.987862 2.575808 BFGS: 586 16:13:15 -307.117825 2.570235 BFGS: 587 16:13:16 -307.247478 2.564706 BFGS: 588 16:13:16 -307.376824 2.559219 BFGS: 589 16:13:17 -307.505865 2.553776 BFGS: 590 16:13:17 -307.634597 2.547690 BFGS: 591 16:13:18 -307.762966 2.540689 BFGS: 592 16:13:18 -307.890965 2.533733 BFGS: 593 16:13:18 -308.018596 2.526824 BFGS: 594 16:13:18 -308.145860 2.519959 BFGS: 595 16:13:19 -308.272758 2.513139 BFGS: 596 16:13:19 -308.399293 2.506364 BFGS: 597 16:13:19 -308.525467 2.499632 BFGS: 598 16:13:20 -308.651281 2.492944 BFGS: 599 16:13:20 -308.776739 2.486298 BFGS: 600 16:13:21 -308.901843 2.479696 BFGS: 601 16:13:21 -309.026594 2.473136 BFGS: 602 16:13:22 -309.150998 2.466619 BFGS: 603 16:13:22 -309.275058 2.460146 BFGS: 604 16:13:23 -309.398777 2.453715 BFGS: 605 16:13:23 -309.522158 2.447487 BFGS: 606 16:13:23 -309.645216 2.441465 BFGS: 607 16:13:24 -309.767955 2.435483 BFGS: 608 16:13:24 -309.890376 2.429540 BFGS: 609 16:13:25 -310.012483 2.423637 BFGS: 610 16:13:25 -310.134277 2.417773 BFGS: 611 16:13:25 -310.255760 2.411948 BFGS: 612 16:13:26 -310.376935 2.406161 BFGS: 613 16:13:26 -310.497805 2.400413 BFGS: 614 16:13:26 -310.618370 2.394702 BFGS: 615 16:13:27 -310.738634 2.389030 BFGS: 616 16:13:27 -310.858598 2.383395 BFGS: 617 16:13:27 -310.978265 2.377797 BFGS: 618 16:13:27 -311.097637 2.372236 BFGS: 619 16:13:28 -311.216715 2.366713 BFGS: 620 16:13:28 -311.335502 2.361225 BFGS: 621 16:13:28 -311.454000 2.355774 BFGS: 622 16:13:28 -311.572211 2.350359 BFGS: 623 16:13:29 -311.690137 2.344980 BFGS: 624 16:13:29 -311.807779 2.339637 BFGS: 625 16:13:29 -311.925141 2.334328 BFGS: 626 16:13:29 -312.042223 2.329055 BFGS: 627 16:13:30 -312.159029 2.323817 BFGS: 628 16:13:30 -312.275559 2.318613 BFGS: 629 16:13:30 -312.391816 2.313444 BFGS: 630 16:13:30 -312.507802 2.308309 BFGS: 631 16:13:31 -312.623518 2.303208 BFGS: 632 16:13:31 -312.738967 2.298141 BFGS: 633 16:13:31 -312.854151 2.293107 BFGS: 634 16:13:31 -312.969070 2.288107 BFGS: 635 16:13:32 -313.083728 2.283139 BFGS: 636 16:13:32 -313.198126 2.278205 BFGS: 637 16:13:32 -313.312265 2.273302 BFGS: 638 16:13:32 -313.426149 2.268433 BFGS: 639 16:13:33 -313.539777 2.263595 BFGS: 640 16:13:33 -313.653153 2.258790 BFGS: 641 16:13:33 -313.766278 2.254016 BFGS: 642 16:13:34 -313.879154 2.249274 BFGS: 643 16:13:34 -313.991782 2.244563 BFGS: 644 16:13:34 -314.104165 2.239883 BFGS: 645 16:13:34 -314.216303 2.235234 BFGS: 646 16:13:35 -314.328199 2.230616 BFGS: 647 16:13:35 -314.439855 2.226028 BFGS: 648 16:13:35 -314.551272 2.221471 BFGS: 649 16:13:35 -314.662452 2.216943 BFGS: 650 16:13:36 -314.773396 2.212446 BFGS: 651 16:13:36 -314.884106 2.207978 BFGS: 652 16:13:36 -314.994585 2.203539 BFGS: 653 16:13:36 -315.104832 2.199130 BFGS: 654 16:13:37 -315.214851 2.194750 BFGS: 655 16:13:37 -315.324642 2.190399 BFGS: 656 16:13:37 -315.434208 2.186076 BFGS: 657 16:13:37 -315.543549 2.181782 BFGS: 658 16:13:38 -315.652668 2.177516 BFGS: 659 16:13:38 -315.761566 2.173279 BFGS: 660 16:13:38 -315.870244 2.169069 BFGS: 661 16:13:38 -315.978704 2.164887 BFGS: 662 16:13:39 -316.086948 2.160732 BFGS: 663 16:13:39 -316.194978 2.156623 BFGS: 664 16:13:39 -316.302794 2.152551 BFGS: 665 16:13:39 -316.410400 2.148505 BFGS: 666 16:13:39 -316.517796 2.144485 BFGS: 667 16:13:40 -316.624985 2.140492 BFGS: 668 16:13:40 -316.731967 2.136525 BFGS: 669 16:13:40 -316.838745 2.132571 BFGS: 670 16:13:40 -316.945303 2.128101 BFGS: 671 16:13:41 -317.051632 2.123658 BFGS: 672 16:13:41 -317.157731 2.119242 BFGS: 673 16:13:41 -317.263602 2.114853 BFGS: 674 16:13:41 -317.369246 2.110490 BFGS: 675 16:13:42 -317.474663 2.106153 BFGS: 676 16:13:42 -317.579856 2.101842 BFGS: 677 16:13:42 -317.684824 2.097557 BFGS: 678 16:13:42 -317.789570 2.093297 BFGS: 679 16:13:43 -317.894095 2.089062 BFGS: 680 16:13:43 -317.998397 2.084661 BFGS: 681 16:13:43 -318.102454 2.080026 BFGS: 682 16:13:43 -318.206258 2.075410 BFGS: 683 16:13:44 -318.309811 2.070812 BFGS: 684 16:13:44 -318.413116 2.066235 BFGS: 685 16:13:44 -318.516175 2.061678 BFGS: 686 16:13:44 -318.618991 2.057143 BFGS: 687 16:13:45 -318.721565 2.052629 BFGS: 688 16:13:45 -318.823899 2.048137 BFGS: 689 16:13:45 -318.925995 2.043667 BFGS: 690 16:13:45 -319.027854 2.039220 BFGS: 691 16:13:45 -319.129479 2.034794 BFGS: 692 16:13:46 -319.230870 2.030391 BFGS: 693 16:13:46 -319.332030 2.026010 BFGS: 694 16:13:46 -319.432960 2.021652 BFGS: 695 16:13:46 -319.533661 2.017316 BFGS: 696 16:13:47 -319.634135 2.013002 BFGS: 697 16:13:47 -319.734383 2.008710 BFGS: 698 16:13:47 -319.834407 2.004440 BFGS: 699 16:13:47 -319.934207 2.000193 BFGS: 700 16:13:47 -320.033786 1.995967 BFGS: 701 16:13:48 -320.133145 1.991762 BFGS: 702 16:13:48 -320.232285 1.987580 BFGS: 703 16:13:48 -320.331207 1.983418 BFGS: 704 16:13:49 -320.429913 1.979278 BFGS: 705 16:13:49 -320.528404 1.975160 BFGS: 706 16:13:49 -320.626681 1.971062 BFGS: 707 16:13:49 -320.724746 1.966985 BFGS: 708 16:13:50 -320.822599 1.962929 BFGS: 709 16:13:50 -320.920243 1.958894 BFGS: 710 16:13:50 -321.017678 1.954879 BFGS: 711 16:13:50 -321.114879 1.949413 BFGS: 712 16:13:51 -321.211786 1.943573 BFGS: 713 16:13:51 -321.308399 1.937767 BFGS: 714 16:13:51 -321.404720 1.931992 BFGS: 715 16:13:51 -321.500750 1.926247 BFGS: 716 16:13:51 -321.596492 1.920530 BFGS: 717 16:13:52 -321.691947 1.914839 BFGS: 718 16:13:52 -321.787115 1.909173 BFGS: 719 16:13:52 -321.881998 1.903533 BFGS: 720 16:13:53 -321.976597 1.897916 BFGS: 721 16:13:53 -322.070914 1.892323 BFGS: 722 16:13:53 -322.164949 1.886752 BFGS: 723 16:13:53 -322.258703 1.881205 BFGS: 724 16:13:54 -322.352178 1.875590 BFGS: 725 16:13:54 -322.445372 1.869896 BFGS: 726 16:13:54 -322.538288 1.864229 BFGS: 727 16:13:54 -322.630925 1.858589 BFGS: 728 16:13:55 -322.723285 1.852974 BFGS: 729 16:13:55 -322.815367 1.847384 BFGS: 730 16:13:55 -322.907171 1.841818 BFGS: 731 16:13:55 -322.998699 1.836276 BFGS: 732 16:13:56 -323.089952 1.830757 BFGS: 733 16:13:56 -323.180930 1.825260 BFGS: 734 16:13:56 -323.271635 1.819785 BFGS: 735 16:13:56 -323.362066 1.814333 BFGS: 736 16:13:57 -323.452227 1.808901 BFGS: 737 16:13:57 -323.542116 1.803491 BFGS: 738 16:13:57 -323.631736 1.798102 BFGS: 739 16:13:57 -323.721088 1.792733 BFGS: 740 16:13:58 -323.810172 1.787385 BFGS: 741 16:13:58 -323.898990 1.782057 BFGS: 742 16:13:58 -323.987542 1.776749 BFGS: 743 16:13:58 -324.075831 1.771461 BFGS: 744 16:13:59 -324.163861 1.766433 BFGS: 745 16:13:59 -324.251646 1.761485 BFGS: 746 16:13:59 -324.339188 1.756558 BFGS: 747 16:13:59 -324.426487 1.751661 BFGS: 748 16:14:00 -324.513557 1.747317 BFGS: 749 16:14:00 -324.600412 1.742991 BFGS: 750 16:14:00 -324.687052 1.738683 BFGS: 751 16:14:00 -324.773478 1.734394 BFGS: 752 16:14:01 -324.859692 1.730122 BFGS: 753 16:14:01 -324.945694 1.725868 BFGS: 754 16:14:01 -325.031485 1.721630 BFGS: 755 16:14:01 -325.117065 1.717410 BFGS: 756 16:14:02 -325.202437 1.713207 BFGS: 757 16:14:02 -325.287601 1.709020 BFGS: 758 16:14:02 -325.372557 1.704850 BFGS: 759 16:14:02 -325.457306 1.700696 BFGS: 760 16:14:03 -325.541850 1.696558 BFGS: 761 16:14:03 -325.626189 1.692437 BFGS: 762 16:14:03 -325.710324 1.688331 BFGS: 763 16:14:03 -325.794256 1.684241 BFGS: 764 16:14:04 -325.877986 1.680167 BFGS: 765 16:14:04 -325.961515 1.676109 BFGS: 766 16:14:04 -326.044843 1.672066 BFGS: 767 16:14:04 -326.127971 1.668038 BFGS: 768 16:14:04 -326.210900 1.664026 BFGS: 769 16:14:05 -326.293632 1.660029 BFGS: 770 16:14:05 -326.376166 1.656046 BFGS: 771 16:14:05 -326.458503 1.652079 BFGS: 772 16:14:05 -326.540645 1.648127 BFGS: 773 16:14:05 -326.622592 1.644189 BFGS: 774 16:14:06 -326.704345 1.640265 BFGS: 775 16:14:06 -326.785905 1.636357 BFGS: 776 16:14:06 -326.867272 1.632462 BFGS: 777 16:14:06 -326.948447 1.628582 BFGS: 778 16:14:07 -327.029432 1.624716 BFGS: 779 16:14:07 -327.110226 1.620864 BFGS: 780 16:14:07 -327.190830 1.617026 BFGS: 781 16:14:07 -327.271246 1.613202 BFGS: 782 16:14:07 -327.351474 1.609392 BFGS: 783 16:14:08 -327.431514 1.605596 BFGS: 784 16:14:08 -327.511368 1.601813 BFGS: 785 16:14:08 -327.591036 1.598043 BFGS: 786 16:14:08 -327.670519 1.594287 BFGS: 787 16:14:08 -327.749817 1.590544 BFGS: 788 16:14:09 -327.828932 1.586814 BFGS: 789 16:14:09 -327.907863 1.583098 BFGS: 790 16:14:09 -327.986612 1.579394 BFGS: 791 16:14:09 -328.065179 1.575703 BFGS: 792 16:14:10 -328.143566 1.572025 BFGS: 793 16:14:10 -328.221772 1.568360 BFGS: 794 16:14:10 -328.299798 1.564708 BFGS: 795 16:14:10 -328.377645 1.561068 BFGS: 796 16:14:11 -328.455314 1.557440 BFGS: 797 16:14:11 -328.532805 1.553825 BFGS: 798 16:14:11 -328.610119 1.550222 BFGS: 799 16:14:11 -328.687257 1.546631 BFGS: 800 16:14:12 -328.764218 1.543052 BFGS: 801 16:14:12 -328.841005 1.539486 BFGS: 802 16:14:12 -328.917617 1.535931 BFGS: 803 16:14:12 -328.994055 1.532388 BFGS: 804 16:14:12 -329.070319 1.528856 BFGS: 805 16:14:13 -329.146411 1.525337 BFGS: 806 16:14:13 -329.222331 1.521828 BFGS: 807 16:14:13 -329.298079 1.518332 BFGS: 808 16:14:13 -329.373656 1.514846 BFGS: 809 16:14:14 -329.449062 1.511372 BFGS: 810 16:14:14 -329.524299 1.507910 BFGS: 811 16:14:14 -329.599367 1.504458 BFGS: 812 16:14:14 -329.674266 1.501017 BFGS: 813 16:14:15 -329.748996 1.497588 BFGS: 814 16:14:15 -329.823559 1.494169 BFGS: 815 16:14:15 -329.897956 1.490761 BFGS: 816 16:14:15 -329.972185 1.487364 BFGS: 817 16:14:15 -330.046249 1.483977 BFGS: 818 16:14:16 -330.120147 1.480601 BFGS: 819 16:14:16 -330.193881 1.477235 BFGS: 820 16:14:16 -330.267450 1.473880 BFGS: 821 16:14:16 -330.340856 1.470535 BFGS: 822 16:14:16 -330.414098 1.467201 BFGS: 823 16:14:17 -330.487177 1.463876 BFGS: 824 16:14:17 -330.560095 1.460562 BFGS: 825 16:14:17 -330.632850 1.457257 BFGS: 826 16:14:17 -330.705444 1.453963 BFGS: 827 16:14:18 -330.777878 1.450678 BFGS: 828 16:14:18 -330.850154 1.447400 BFGS: 829 16:14:18 -330.922276 1.444131 BFGS: 830 16:14:18 -330.994244 1.440871 BFGS: 831 16:14:19 -331.066057 1.437621 BFGS: 832 16:14:19 -331.137717 1.434380 BFGS: 833 16:14:19 -331.209222 1.431149 BFGS: 834 16:14:19 -331.280575 1.427928 BFGS: 835 16:14:19 -331.351774 1.424718 BFGS: 836 16:14:20 -331.422821 1.421517 BFGS: 837 16:14:20 -331.493716 1.418327 BFGS: 838 16:14:20 -331.564459 1.415146 BFGS: 839 16:14:20 -331.635051 1.411976 BFGS: 840 16:14:21 -331.705492 1.408816 BFGS: 841 16:14:21 -331.775783 1.405665 BFGS: 842 16:14:21 -331.845924 1.402525 BFGS: 843 16:14:21 -331.915916 1.399394 BFGS: 844 16:14:21 -331.985759 1.396272 BFGS: 845 16:14:22 -332.055453 1.393160 BFGS: 846 16:14:22 -332.124999 1.390058 BFGS: 847 16:14:22 -332.194398 1.386965 BFGS: 848 16:14:22 -332.263650 1.383881 BFGS: 849 16:14:23 -332.332755 1.380807 BFGS: 850 16:14:23 -332.401713 1.377741 BFGS: 851 16:14:23 -332.470526 1.374685 BFGS: 852 16:14:23 -332.539194 1.371638 BFGS: 853 16:14:23 -332.607716 1.368599 BFGS: 854 16:14:24 -332.676094 1.365570 BFGS: 855 16:14:24 -332.744327 1.362549 BFGS: 856 16:14:24 -332.812417 1.359537 BFGS: 857 16:14:24 -332.880364 1.356534 BFGS: 858 16:14:25 -332.948167 1.353539 BFGS: 859 16:14:25 -333.015828 1.350552 BFGS: 860 16:14:25 -333.083347 1.347575 BFGS: 861 16:14:25 -333.150724 1.344605 BFGS: 862 16:14:26 -333.217960 1.341644 BFGS: 863 16:14:26 -333.285055 1.338690 BFGS: 864 16:14:26 -333.352009 1.335745 BFGS: 865 16:14:26 -333.418823 1.332809 BFGS: 866 16:14:26 -333.485496 1.329880 BFGS: 867 16:14:27 -333.552031 1.326959 BFGS: 868 16:14:27 -333.618426 1.324046 BFGS: 869 16:14:27 -333.684682 1.321140 BFGS: 870 16:14:27 -333.750800 1.318243 BFGS: 871 16:14:28 -333.816780 1.315353 BFGS: 872 16:14:28 -333.882622 1.312470 BFGS: 873 16:14:28 -333.948327 1.309596 BFGS: 874 16:14:28 -334.013894 1.306728 BFGS: 875 16:14:28 -334.079325 1.303869 BFGS: 876 16:14:29 -334.144620 1.301016 BFGS: 877 16:14:29 -334.209778 1.298171 BFGS: 878 16:14:29 -334.274806 1.295770 BFGS: 879 16:14:29 -334.339735 1.293778 BFGS: 880 16:14:29 -334.404571 1.291785 BFGS: 881 16:14:30 -334.469313 1.289792 BFGS: 882 16:14:30 -334.533962 1.287801 BFGS: 883 16:14:30 -334.598517 1.285814 BFGS: 884 16:14:30 -334.662978 1.283831 BFGS: 885 16:14:31 -334.727345 1.281852 BFGS: 886 16:14:31 -334.791619 1.279877 BFGS: 887 16:14:31 -334.855798 1.277908 BFGS: 888 16:14:31 -334.919884 1.275943 BFGS: 889 16:14:31 -334.983877 1.273984 BFGS: 890 16:14:32 -335.047776 1.272030 BFGS: 891 16:14:32 -335.111583 1.270081 BFGS: 892 16:14:32 -335.175297 1.268136 BFGS: 893 16:14:32 -335.238918 1.266198 BFGS: 894 16:14:32 -335.302448 1.264264 BFGS: 895 16:14:33 -335.365885 1.262335 BFGS: 896 16:14:33 -335.429230 1.260411 BFGS: 897 16:14:33 -335.492483 1.258492 BFGS: 898 16:14:33 -335.555646 1.256578 BFGS: 899 16:14:34 -335.618717 1.254669 BFGS: 900 16:14:34 -335.681697 1.252764 BFGS: 901 16:14:34 -335.744586 1.250864 BFGS: 902 16:14:34 -335.807385 1.248969 BFGS: 903 16:14:34 -335.870093 1.247079 BFGS: 904 16:14:35 -335.932711 1.245193 BFGS: 905 16:14:35 -335.995239 1.243312 BFGS: 906 16:14:35 -336.057678 1.241435 BFGS: 907 16:14:35 -336.120027 1.239563 BFGS: 908 16:14:36 -336.182286 1.237695 BFGS: 909 16:14:36 -336.244457 1.235831 BFGS: 910 16:14:36 -336.306538 1.233972 BFGS: 911 16:14:36 -336.368531 1.232117 BFGS: 912 16:14:37 -336.430434 1.230266 BFGS: 913 16:14:37 -336.492250 1.228419 BFGS: 914 16:14:37 -336.553977 1.226577 BFGS: 915 16:14:37 -336.615616 1.224738 BFGS: 916 16:14:37 -336.677167 1.222903 BFGS: 917 16:14:38 -336.738631 1.221073 BFGS: 918 16:14:38 -336.800007 1.219246 BFGS: 919 16:14:38 -336.861295 1.217423 BFGS: 920 16:14:38 -336.922496 1.215604 BFGS: 921 16:14:38 -336.983611 1.213789 BFGS: 922 16:14:39 -337.044638 1.211977 BFGS: 923 16:14:39 -337.105578 1.210169 BFGS: 924 16:14:39 -337.166432 1.208365 BFGS: 925 16:14:39 -337.227199 1.206565 BFGS: 926 16:14:40 -337.287881 1.204768 BFGS: 927 16:14:40 -337.348475 1.202974 BFGS: 928 16:14:40 -337.408984 1.201184 BFGS: 929 16:14:40 -337.469407 1.199397 BFGS: 930 16:14:40 -337.529745 1.197614 BFGS: 931 16:14:41 -337.589996 1.195834 BFGS: 932 16:14:41 -337.650162 1.194057 BFGS: 933 16:14:41 -337.710243 1.192284 BFGS: 934 16:14:41 -337.770239 1.190513 BFGS: 935 16:14:42 -337.830150 1.188746 BFGS: 936 16:14:42 -337.889975 1.186982 BFGS: 937 16:14:42 -337.949716 1.185221 BFGS: 938 16:14:42 -338.009373 1.183464 BFGS: 939 16:14:42 -338.068944 1.181709 BFGS: 940 16:14:43 -338.128432 1.179957 BFGS: 941 16:14:43 -338.187835 1.178208 BFGS: 942 16:14:43 -338.247153 1.176462 BFGS: 943 16:14:43 -338.306388 1.174718 BFGS: 944 16:14:43 -338.365539 1.172978 BFGS: 945 16:14:44 -338.424606 1.171240 BFGS: 946 16:14:44 -338.483589 1.169505 BFGS: 947 16:14:44 -338.542488 1.167773 BFGS: 948 16:14:44 -338.601304 1.166043 BFGS: 949 16:14:44 -338.660036 1.164316 BFGS: 950 16:14:45 -338.718686 1.162591 BFGS: 951 16:14:45 -338.777251 1.160869 BFGS: 952 16:14:45 -338.835734 1.159149 BFGS: 953 16:14:45 -338.894134 1.157432 BFGS: 954 16:14:45 -338.952451 1.155717 BFGS: 955 16:14:46 -339.010684 1.154005 BFGS: 956 16:14:46 -339.068836 1.152295 BFGS: 957 16:14:46 -339.126904 1.150587 BFGS: 958 16:14:46 -339.184890 1.148881 BFGS: 959 16:14:47 -339.242793 1.147178 BFGS: 960 16:14:47 -339.300614 1.145477 BFGS: 961 16:14:47 -339.358352 1.143778 BFGS: 962 16:14:47 -339.416008 1.142081 BFGS: 963 16:14:47 -339.473582 1.140386 BFGS: 964 16:14:48 -339.531074 1.138693 BFGS: 965 16:14:48 -339.588484 1.137002 BFGS: 966 16:14:48 -339.645812 1.135313 BFGS: 967 16:14:48 -339.703058 1.133626 BFGS: 968 16:14:48 -339.760222 1.131941 BFGS: 969 16:14:49 -339.817304 1.130258 BFGS: 970 16:14:49 -339.874305 1.128577 BFGS: 971 16:14:49 -339.931224 1.126897 BFGS: 972 16:14:49 -339.988061 1.125219 BFGS: 973 16:14:50 -340.044817 1.123543 BFGS: 974 16:14:50 -340.101491 1.121868 BFGS: 975 16:14:50 -340.158084 1.120196 BFGS: 976 16:14:50 -340.214596 1.118524 BFGS: 977 16:14:50 -340.271026 1.116855 BFGS: 978 16:14:51 -340.327375 1.115187 BFGS: 979 16:14:51 -340.383643 1.113520 BFGS: 980 16:14:51 -340.439829 1.111855 BFGS: 981 16:14:51 -340.495935 1.110270 BFGS: 982 16:14:52 -340.551968 1.108850 BFGS: 983 16:14:52 -340.607930 1.107427 BFGS: 984 16:14:52 -340.663821 1.106002 BFGS: 985 16:14:52 -340.719642 1.104576 BFGS: 986 16:14:53 -340.775392 1.103148 BFGS: 987 16:14:53 -340.831071 1.101720 BFGS: 988 16:14:53 -340.886680 1.100292 BFGS: 989 16:14:53 -340.942218 1.098863 BFGS: 990 16:14:54 -340.997687 1.097434 BFGS: 991 16:14:54 -341.053086 1.096005 BFGS: 992 16:14:54 -341.108414 1.094575 BFGS: 993 16:14:54 -341.163673 1.093146 BFGS: 994 16:14:54 -341.218861 1.091718 BFGS: 995 16:14:55 -341.273980 1.090289 BFGS: 996 16:14:55 -341.329029 1.088861 BFGS: 997 16:14:55 -341.384009 1.087433 BFGS: 998 16:14:55 -341.438919 1.086005 BFGS: 999 16:14:55 -341.493758 1.084578 BFGS: 1000 16:14:56 -341.548529 1.083151 BFGS: 1001 16:14:56 -341.603229 1.081724 BFGS: 1002 16:14:56 -341.657860 1.080298 BFGS: 1003 16:14:56 -341.712422 1.078872 BFGS: 1004 16:14:57 -341.766914 1.077447 BFGS: 1005 16:14:57 -341.821336 1.076022 BFGS: 1006 16:14:57 -341.875688 1.074597 BFGS: 1007 16:14:57 -341.929971 1.073172 BFGS: 1008 16:14:57 -341.984184 1.071748 BFGS: 1009 16:14:58 -342.038328 1.070325 BFGS: 1010 16:14:58 -342.092402 1.068901 BFGS: 1011 16:14:58 -342.146406 1.067478 BFGS: 1012 16:14:58 -342.200341 1.066055 BFGS: 1013 16:14:58 -342.254206 1.064632 BFGS: 1014 16:14:59 -342.308002 1.063209 BFGS: 1015 16:14:59 -342.361728 1.061787 BFGS: 1016 16:14:59 -342.415384 1.060364 BFGS: 1017 16:14:59 -342.468970 1.058942 BFGS: 1018 16:15:00 -342.522487 1.057520 BFGS: 1019 16:15:00 -342.575934 1.056098 BFGS: 1020 16:15:00 -342.629311 1.054676 BFGS: 1021 16:15:00 -342.682619 1.053254 BFGS: 1022 16:15:00 -342.735856 1.051832 BFGS: 1023 16:15:01 -342.789024 1.050410 BFGS: 1024 16:15:01 -342.842122 1.048988 BFGS: 1025 16:15:01 -342.895150 1.047566 BFGS: 1026 16:15:01 -342.948108 1.046143 BFGS: 1027 16:15:02 -343.000996 1.044721 BFGS: 1028 16:15:02 -343.053815 1.043299 BFGS: 1029 16:15:02 -343.106563 1.041876 BFGS: 1030 16:15:02 -343.159241 1.040453 BFGS: 1031 16:15:03 -343.211849 1.039030 BFGS: 1032 16:15:03 -343.264387 1.037607 BFGS: 1033 16:15:03 -343.316855 1.036183 BFGS: 1034 16:15:03 -343.369253 1.034759 BFGS: 1035 16:15:03 -343.421580 1.033335 BFGS: 1036 16:15:04 -343.473837 1.031910 BFGS: 1037 16:15:04 -343.526024 1.030485 BFGS: 1038 16:15:04 -343.578141 1.029060 BFGS: 1039 16:15:04 -343.630187 1.027634 BFGS: 1040 16:15:05 -343.682163 1.026208 BFGS: 1041 16:15:05 -343.734068 1.024781 BFGS: 1042 16:15:05 -343.785903 1.023354 BFGS: 1043 16:15:05 -343.837667 1.021926 BFGS: 1044 16:15:05 -343.889361 1.020498 BFGS: 1045 16:15:06 -343.940983 1.019069 BFGS: 1046 16:15:06 -343.992536 1.017640 BFGS: 1047 16:15:06 -344.044017 1.016210 BFGS: 1048 16:15:06 -344.095428 1.014780 BFGS: 1049 16:15:07 -344.146767 1.013348 BFGS: 1050 16:15:07 -344.198039 1.012150 BFGS: 1051 16:15:07 -344.249257 1.011211 BFGS: 1052 16:15:08 -344.300425 1.010275 BFGS: 1053 16:15:08 -344.351543 1.009340 BFGS: 1054 16:15:09 -344.402612 1.008405 BFGS: 1055 16:15:09 -344.453630 1.007468 BFGS: 1056 16:15:10 -344.504600 1.006530 BFGS: 1057 16:15:10 -344.555520 1.005591 BFGS: 1058 16:15:11 -344.606391 1.004649 BFGS: 1059 16:15:11 -344.657213 1.003706 BFGS: 1060 16:15:12 -344.707986 1.002760 BFGS: 1061 16:15:12 -344.758710 1.001812 BFGS: 1062 16:15:13 -344.809385 1.000862 BFGS: 1063 16:15:13 -344.860011 0.999910 BFGS: 1064 16:15:14 -344.910588 0.998956 BFGS: 1065 16:15:14 -344.961116 0.998000 BFGS: 1066 16:15:14 -345.011595 0.997042 BFGS: 1067 16:15:15 -345.062024 0.996082 BFGS: 1068 16:15:15 -345.112404 0.995120 BFGS: 1069 16:15:16 -345.162735 0.994156 BFGS: 1070 16:15:16 -345.213017 0.993190 BFGS: 1071 16:15:16 -345.263248 0.992223 BFGS: 1072 16:15:17 -345.313431 0.991253 BFGS: 1073 16:15:17 -345.363564 0.990282 BFGS: 1074 16:15:17 -345.413650 0.989539 BFGS: 1075 16:15:17 -345.463703 0.988953 BFGS: 1076 16:15:17 -345.513725 0.988364 BFGS: 1077 16:15:18 -345.563716 0.987772 BFGS: 1078 16:15:18 -345.613675 0.987178 BFGS: 1079 16:15:18 -345.663602 0.986582 BFGS: 1080 16:15:18 -345.713497 0.985983 BFGS: 1081 16:15:18 -345.763361 0.985381 BFGS: 1082 16:15:18 -345.813192 0.984777 BFGS: 1083 16:15:18 -345.862991 0.984170 BFGS: 1084 16:15:19 -345.912759 0.983561 BFGS: 1085 16:15:19 -345.962493 0.982949 BFGS: 1086 16:15:19 -346.012196 0.982334 BFGS: 1087 16:15:19 -346.061866 0.981717 BFGS: 1088 16:15:19 -346.111503 0.981098 BFGS: 1089 16:15:20 -346.161107 0.980476 BFGS: 1090 16:15:20 -346.210680 0.979851 BFGS: 1091 16:15:20 -346.260224 0.979226 BFGS: 1092 16:15:20 -346.309738 0.978601 BFGS: 1093 16:15:21 -346.359223 0.977976 BFGS: 1094 16:15:21 -346.408679 0.977350 BFGS: 1095 16:15:21 -346.458106 0.976721 BFGS: 1096 16:15:22 -346.507504 0.976091 BFGS: 1097 16:15:22 -346.556874 0.975458 BFGS: 1098 16:15:23 -346.606214 0.974823 BFGS: 1099 16:15:23 -346.655525 0.974186 BFGS: 1100 16:15:23 -346.704807 0.973547 BFGS: 1101 16:15:24 -346.754060 0.972905 BFGS: 1102 16:15:24 -346.803283 0.972261 BFGS: 1103 16:15:24 -346.852478 0.971614 BFGS: 1104 16:15:24 -346.901643 0.970966 BFGS: 1105 16:15:25 -346.950779 0.970315 BFGS: 1106 16:15:25 -346.999885 0.969662 BFGS: 1107 16:15:25 -347.048961 0.969007 BFGS: 1108 16:15:26 -347.098008 0.968350 BFGS: 1109 16:15:26 -347.147025 0.967690 BFGS: 1110 16:15:26 -347.196012 0.967028 BFGS: 1111 16:15:26 -347.244969 0.966365 BFGS: 1112 16:15:26 -347.293895 0.965699 BFGS: 1113 16:15:27 -347.342792 0.965031 BFGS: 1114 16:15:27 -347.391658 0.964361 BFGS: 1115 16:15:27 -347.440493 0.963689 BFGS: 1116 16:15:28 -347.489298 0.963015 BFGS: 1117 16:15:28 -347.538071 0.962338 BFGS: 1118 16:15:28 -347.586814 0.961660 BFGS: 1119 16:15:28 -347.635526 0.960979 BFGS: 1120 16:15:28 -347.684207 0.960297 BFGS: 1121 16:15:29 -347.732856 0.959612 BFGS: 1122 16:15:29 -347.781474 0.958925 BFGS: 1123 16:15:29 -347.830060 0.958235 BFGS: 1124 16:15:29 -347.878614 0.957544 BFGS: 1125 16:15:30 -347.927137 0.956851 BFGS: 1126 16:15:30 -347.975628 0.956155 BFGS: 1127 16:15:30 -348.024086 0.955457 BFGS: 1128 16:15:30 -348.072512 0.954757 BFGS: 1129 16:15:31 -348.120906 0.954054 BFGS: 1130 16:15:31 -348.169267 0.953350 BFGS: 1131 16:15:31 -348.217596 0.952643 BFGS: 1132 16:15:31 -348.265892 0.951933 BFGS: 1133 16:15:32 -348.314155 0.951222 BFGS: 1134 16:15:32 -348.362384 0.950508 BFGS: 1135 16:15:32 -348.410581 0.949792 BFGS: 1136 16:15:32 -348.458744 0.949073 BFGS: 1137 16:15:32 -348.506873 0.948352 BFGS: 1138 16:15:33 -348.554969 0.947629 BFGS: 1139 16:15:33 -348.603031 0.946904 BFGS: 1140 16:15:33 -348.651059 0.946176 BFGS: 1141 16:15:34 -348.699052 0.945445 BFGS: 1142 16:15:34 -348.747012 0.944712 BFGS: 1143 16:15:34 -348.794937 0.943977 BFGS: 1144 16:15:34 -348.842828 0.943239 BFGS: 1145 16:15:35 -348.890683 0.942499 BFGS: 1146 16:15:35 -348.938504 0.941756 BFGS: 1147 16:15:35 -348.986290 0.941011 BFGS: 1148 16:15:36 -349.034041 0.940264 BFGS: 1149 16:15:36 -349.081756 0.939513 BFGS: 1150 16:15:36 -349.129436 0.938761 BFGS: 1151 16:15:36 -349.177081 0.938005 BFGS: 1152 16:15:37 -349.224689 0.937248 BFGS: 1153 16:15:37 -349.272261 0.936487 BFGS: 1154 16:15:37 -349.319798 0.935724 BFGS: 1155 16:15:38 -349.367298 0.934958 BFGS: 1156 16:15:38 -349.414762 0.934190 BFGS: 1157 16:15:38 -349.462189 0.933419 BFGS: 1158 16:15:38 -349.509579 0.932646 BFGS: 1159 16:15:38 -349.556933 0.931870 BFGS: 1160 16:15:39 -349.604249 0.931091 BFGS: 1161 16:15:39 -349.651529 0.930309 BFGS: 1162 16:15:39 -349.698771 0.929525 BFGS: 1163 16:15:39 -349.745975 0.928738 BFGS: 1164 16:15:40 -349.793142 0.927949 BFGS: 1165 16:15:40 -349.840270 0.927156 BFGS: 1166 16:15:40 -349.887361 0.926361 BFGS: 1167 16:15:40 -349.934414 0.925563 BFGS: 1168 16:15:40 -349.981428 0.924763 BFGS: 1169 16:15:40 -350.028404 0.923959 BFGS: 1170 16:15:41 -350.075341 0.923153 BFGS: 1171 16:15:41 -350.122240 0.922344 BFGS: 1172 16:15:41 -350.169099 0.921532 BFGS: 1173 16:15:42 -350.215919 0.920718 BFGS: 1174 16:15:42 -350.262700 0.919900 BFGS: 1175 16:15:42 -350.309441 0.919080 BFGS: 1176 16:15:42 -350.356143 0.918256 BFGS: 1177 16:15:43 -350.402805 0.917430 BFGS: 1178 16:15:43 -350.449427 0.916601 BFGS: 1179 16:15:43 -350.496008 0.915770 BFGS: 1180 16:15:43 -350.542550 0.914935 BFGS: 1181 16:15:44 -350.589051 0.914097 BFGS: 1182 16:15:44 -350.635511 0.913256 BFGS: 1183 16:15:44 -350.681930 0.912413 BFGS: 1184 16:15:44 -350.728308 0.911566 BFGS: 1185 16:15:45 -350.774646 0.910717 BFGS: 1186 16:15:45 -350.820941 0.909864 BFGS: 1187 16:15:45 -350.867196 0.909009 BFGS: 1188 16:15:45 -350.913408 0.908151 BFGS: 1189 16:15:45 -350.959579 0.907289 BFGS: 1190 16:15:45 -351.005708 0.906425 BFGS: 1191 16:15:46 -351.051794 0.905557 BFGS: 1192 16:15:46 -351.097838 0.904687 BFGS: 1193 16:15:46 -351.143840 0.903813 BFGS: 1194 16:15:47 -351.189798 0.902937 BFGS: 1195 16:15:47 -351.235714 0.902057 BFGS: 1196 16:15:47 -351.281587 0.901174 BFGS: 1197 16:15:48 -351.327416 0.900288 BFGS: 1198 16:15:48 -351.373202 0.899399 BFGS: 1199 16:15:48 -351.418945 0.898507 BFGS: 1200 16:15:49 -351.464644 0.897612 BFGS: 1201 16:15:49 -351.510298 0.896714 BFGS: 1202 16:15:50 -351.555909 0.895813 BFGS: 1203 16:15:50 -351.601475 0.894908 BFGS: 1204 16:15:51 -351.646996 0.894001 BFGS: 1205 16:15:51 -351.692473 0.893090 BFGS: 1206 16:15:51 -351.737906 0.892176 BFGS: 1207 16:15:52 -351.783293 0.891259 BFGS: 1208 16:15:52 -351.828634 0.890338 BFGS: 1209 16:15:52 -351.873931 0.889415 BFGS: 1210 16:15:53 -351.919182 0.888488 BFGS: 1211 16:15:53 -351.964387 0.887558 BFGS: 1212 16:15:53 -352.009546 0.886625 BFGS: 1213 16:15:54 -352.054659 0.885689 BFGS: 1214 16:15:54 -352.099726 0.884749 BFGS: 1215 16:15:54 -352.144746 0.883806 BFGS: 1216 16:15:55 -352.189719 0.882860 BFGS: 1217 16:15:55 -352.234646 0.881911 BFGS: 1218 16:15:55 -352.279525 0.880958 BFGS: 1219 16:15:56 -352.324358 0.880002 BFGS: 1220 16:15:56 -352.369143 0.879043 BFGS: 1221 16:15:56 -352.413880 0.878081 BFGS: 1222 16:15:56 -352.458570 0.877115 BFGS: 1223 16:15:57 -352.503211 0.876146 BFGS: 1224 16:15:57 -352.547805 0.875173 BFGS: 1225 16:15:58 -352.592350 0.874198 BFGS: 1226 16:15:58 -352.636847 0.873219 BFGS: 1227 16:15:58 -352.681294 0.872236 BFGS: 1228 16:15:58 -352.725693 0.871251 BFGS: 1229 16:15:59 -352.770043 0.870262 BFGS: 1230 16:15:59 -352.814345 0.869350 BFGS: 1231 16:15:59 -352.858604 0.868515 BFGS: 1232 16:15:59 -352.902821 0.867676 BFGS: 1233 16:16:00 -352.946997 0.866833 BFGS: 1234 16:16:00 -352.991130 0.865986 BFGS: 1235 16:16:00 -353.035221 0.865135 BFGS: 1236 16:16:00 -353.079269 0.864281 BFGS: 1237 16:16:00 -353.123274 0.863422 BFGS: 1238 16:16:00 -353.167237 0.862560 BFGS: 1239 16:16:00 -353.211156 0.861694 BFGS: 1240 16:16:00 -353.255032 0.860825 BFGS: 1241 16:16:00 -353.298865 0.859951 BFGS: 1242 16:16:00 -353.342654 0.859074 BFGS: 1243 16:16:00 -353.386399 0.858193 BFGS: 1244 16:16:00 -353.430100 0.857309 BFGS: 1245 16:16:00 -353.473757 0.856421 BFGS: 1246 16:16:00 -353.517369 0.855528 BFGS: 1247 16:16:00 -353.560937 0.854633 BFGS: 1248 16:16:00 -353.604460 0.853733 BFGS: 1249 16:16:00 -353.647938 0.852830 BFGS: 1250 16:16:00 -353.691371 0.851923 BFGS: 1251 16:16:00 -353.734758 0.851013 BFGS: 1252 16:16:00 -353.778100 0.850098 BFGS: 1253 16:16:00 -353.821396 0.849180 BFGS: 1254 16:16:00 -353.864645 0.848259 BFGS: 1255 16:16:01 -353.907849 0.847333 BFGS: 1256 16:16:01 -353.951006 0.846404 BFGS: 1257 16:16:01 -353.994117 0.845471 BFGS: 1258 16:16:02 -354.037181 0.844535 BFGS: 1259 16:16:02 -354.080198 0.843595 BFGS: 1260 16:16:02 -354.123167 0.842651 BFGS: 1261 16:16:02 -354.166090 0.841703 BFGS: 1262 16:16:03 -354.208964 0.840752 BFGS: 1263 16:16:03 -354.251791 0.839796 BFGS: 1264 16:16:03 -354.294570 0.838838 BFGS: 1265 16:16:03 -354.337301 0.837875 BFGS: 1266 16:16:04 -354.379983 0.836909 BFGS: 1267 16:16:04 -354.422617 0.835939 BFGS: 1268 16:16:04 -354.465202 0.834965 BFGS: 1269 16:16:05 -354.507738 0.833987 BFGS: 1270 16:16:05 -354.550225 0.833006 BFGS: 1271 16:16:05 -354.592662 0.832021 BFGS: 1272 16:16:05 -354.635050 0.831033 BFGS: 1273 16:16:06 -354.677388 0.830040 BFGS: 1274 16:16:06 -354.719675 0.829044 BFGS: 1275 16:16:06 -354.761913 0.828044 BFGS: 1276 16:16:06 -354.804101 0.827040 BFGS: 1277 16:16:07 -354.846237 0.826033 BFGS: 1278 16:16:07 -354.888323 0.825021 BFGS: 1279 16:16:07 -354.930358 0.824006 BFGS: 1280 16:16:07 -354.972342 0.822988 BFGS: 1281 16:16:07 -355.014274 0.821965 BFGS: 1282 16:16:07 -355.056155 0.820939 BFGS: 1283 16:16:07 -355.097984 0.819908 BFGS: 1284 16:16:07 -355.139760 0.818875 BFGS: 1285 16:16:07 -355.181485 0.817837 BFGS: 1286 16:16:07 -355.223157 0.816795 BFGS: 1287 16:16:08 -355.264777 0.815750 BFGS: 1288 16:16:08 -355.306343 0.814701 BFGS: 1289 16:16:08 -355.347857 0.813648 BFGS: 1290 16:16:08 -355.389318 0.812592 BFGS: 1291 16:16:09 -355.430725 0.811531 BFGS: 1292 16:16:09 -355.472078 0.810467 BFGS: 1293 16:16:09 -355.513377 0.809399 BFGS: 1294 16:16:10 -355.554623 0.808327 BFGS: 1295 16:16:10 -355.595814 0.807251 BFGS: 1296 16:16:10 -355.636951 0.806172 BFGS: 1297 16:16:10 -355.678033 0.805089 BFGS: 1298 16:16:10 -355.719060 0.804002 BFGS: 1299 16:16:11 -355.760032 0.802911 BFGS: 1300 16:16:11 -355.800949 0.801816 BFGS: 1301 16:16:11 -355.841811 0.800718 BFGS: 1302 16:16:11 -355.882616 0.799615 BFGS: 1303 16:16:12 -355.923366 0.798509 BFGS: 1304 16:16:12 -355.964060 0.797399 BFGS: 1305 16:16:12 -356.004698 0.796285 BFGS: 1306 16:16:12 -356.045279 0.795168 BFGS: 1307 16:16:13 -356.085803 0.794046 BFGS: 1308 16:16:13 -356.126270 0.792921 BFGS: 1309 16:16:13 -356.166681 0.791792 BFGS: 1310 16:16:14 -356.207034 0.790659 BFGS: 1311 16:16:14 -356.247329 0.789523 BFGS: 1312 16:16:14 -356.287565 0.788385 BFGS: 1313 16:16:15 -356.327741 0.787241 BFGS: 1314 16:16:15 -356.367856 0.786090 BFGS: 1315 16:16:15 -356.407910 0.784934 BFGS: 1316 16:16:15 -356.447903 0.783772 BFGS: 1317 16:16:15 -356.487835 0.782605 BFGS: 1318 16:16:15 -356.527706 0.781432 BFGS: 1319 16:16:15 -356.567515 0.780254 BFGS: 1320 16:16:16 -356.607263 0.779071 BFGS: 1321 16:16:16 -356.646949 0.777884 BFGS: 1322 16:16:16 -356.686573 0.776691 BFGS: 1323 16:16:16 -356.726135 0.775494 BFGS: 1324 16:16:16 -356.765634 0.774292 BFGS: 1325 16:16:16 -356.805071 0.773086 BFGS: 1326 16:16:16 -356.844446 0.771875 BFGS: 1327 16:16:17 -356.883758 0.770659 BFGS: 1328 16:16:17 -356.923006 0.769439 BFGS: 1329 16:16:17 -356.962192 0.768215 BFGS: 1330 16:16:17 -357.001314 0.766986 BFGS: 1331 16:16:17 -357.040373 0.765754 BFGS: 1332 16:16:17 -357.079368 0.764517 BFGS: 1333 16:16:17 -357.118299 0.763275 BFGS: 1334 16:16:17 -357.157166 0.762030 BFGS: 1335 16:16:18 -357.195969 0.760780 BFGS: 1336 16:16:18 -357.234707 0.759526 BFGS: 1337 16:16:18 -357.273380 0.758268 BFGS: 1338 16:16:18 -357.311989 0.757006 BFGS: 1339 16:16:18 -357.350532 0.755740 BFGS: 1340 16:16:18 -357.389011 0.754470 BFGS: 1341 16:16:18 -357.427424 0.753196 BFGS: 1342 16:16:18 -357.465771 0.751918 BFGS: 1343 16:16:19 -357.504052 0.750636 BFGS: 1344 16:16:19 -357.542268 0.749349 BFGS: 1345 16:16:19 -357.580417 0.748059 BFGS: 1346 16:16:19 -357.618499 0.746765 BFGS: 1347 16:16:19 -357.656516 0.745467 BFGS: 1348 16:16:19 -357.694465 0.744164 BFGS: 1349 16:16:19 -357.732347 0.742858 BFGS: 1350 16:16:19 -357.770162 0.741548 BFGS: 1351 16:16:20 -357.807910 0.740234 BFGS: 1352 16:16:20 -357.845590 0.738916 BFGS: 1353 16:16:20 -357.883202 0.737594 BFGS: 1354 16:16:20 -357.920747 0.736268 BFGS: 1355 16:16:20 -357.958223 0.734939 BFGS: 1356 16:16:20 -357.995631 0.733605 BFGS: 1357 16:16:20 -358.032970 0.732268 BFGS: 1358 16:16:21 -358.070240 0.730926 BFGS: 1359 16:16:21 -358.107442 0.729581 BFGS: 1360 16:16:21 -358.144574 0.728232 BFGS: 1361 16:16:21 -358.181637 0.726878 BFGS: 1362 16:16:21 -358.218631 0.725521 BFGS: 1363 16:16:21 -358.255555 0.724161 BFGS: 1364 16:16:21 -358.292408 0.722796 BFGS: 1365 16:16:22 -358.329192 0.721427 BFGS: 1366 16:16:22 -358.365906 0.720055 BFGS: 1367 16:16:22 -358.402549 0.718679 BFGS: 1368 16:16:22 -358.439121 0.717298 BFGS: 1369 16:16:22 -358.475622 0.715914 BFGS: 1370 16:16:22 -358.512052 0.714527 BFGS: 1371 16:16:23 -358.548411 0.713135 BFGS: 1372 16:16:23 -358.584699 0.711739 BFGS: 1373 16:16:23 -358.620915 0.710340 BFGS: 1374 16:16:23 -358.657059 0.708937 BFGS: 1375 16:16:23 -358.693131 0.707530 BFGS: 1376 16:16:23 -358.729131 0.706119 BFGS: 1377 16:16:23 -358.765058 0.704705 BFGS: 1378 16:16:24 -358.800913 0.703286 BFGS: 1379 16:16:24 -358.836695 0.701864 BFGS: 1380 16:16:24 -358.872404 0.700438 BFGS: 1381 16:16:24 -358.908040 0.699008 BFGS: 1382 16:16:24 -358.943602 0.697575 BFGS: 1383 16:16:24 -358.979091 0.696137 BFGS: 1384 16:16:24 -359.014506 0.694696 BFGS: 1385 16:16:25 -359.049848 0.693291 BFGS: 1386 16:16:25 -359.085121 0.691942 BFGS: 1387 16:16:25 -359.120327 0.690592 BFGS: 1388 16:16:25 -359.155466 0.689240 BFGS: 1389 16:16:25 -359.190537 0.687888 BFGS: 1390 16:16:25 -359.225540 0.686533 BFGS: 1391 16:16:25 -359.260475 0.685177 BFGS: 1392 16:16:25 -359.295341 0.683818 BFGS: 1393 16:16:25 -359.330139 0.682457 BFGS: 1394 16:16:25 -359.364867 0.681093 BFGS: 1395 16:16:26 -359.399527 0.679727 BFGS: 1396 16:16:26 -359.434117 0.678357 BFGS: 1397 16:16:26 -359.468638 0.676985 BFGS: 1398 16:16:26 -359.503089 0.675610 BFGS: 1399 16:16:26 -359.537469 0.674232 BFGS: 1400 16:16:26 -359.571780 0.672851 BFGS: 1401 16:16:26 -359.606020 0.671466 BFGS: 1402 16:16:26 -359.640192 0.670249 BFGS: 1403 16:16:26 -359.674302 0.669069 BFGS: 1404 16:16:26 -359.708349 0.667883 BFGS: 1405 16:16:26 -359.742333 0.666691 BFGS: 1406 16:16:27 -359.776255 0.665495 BFGS: 1407 16:16:27 -359.810114 0.664293 BFGS: 1408 16:16:27 -359.843909 0.663087 BFGS: 1409 16:16:27 -359.877641 0.661876 BFGS: 1410 16:16:28 -359.911294 0.659974 BFGS: 1411 16:16:28 -359.944849 0.658030 BFGS: 1412 16:16:28 -359.978305 0.656086 BFGS: 1413 16:16:28 -360.011663 0.654142 BFGS: 1414 16:16:28 -360.044922 0.652197 BFGS: 1415 16:16:28 -360.078082 0.650251 BFGS: 1416 16:16:29 -360.111143 0.648303 BFGS: 1417 16:16:29 -360.144105 0.646353 BFGS: 1418 16:16:29 -360.176968 0.644401 BFGS: 1419 16:16:29 -360.209731 0.642446 BFGS: 1420 16:16:29 -360.242395 0.640490 BFGS: 1421 16:16:29 -360.274958 0.638531 BFGS: 1422 16:16:30 -360.307422 0.636569 BFGS: 1423 16:16:30 -360.339785 0.634605 BFGS: 1424 16:16:30 -360.372048 0.632638 BFGS: 1425 16:16:30 -360.404211 0.630668 BFGS: 1426 16:16:31 -360.436273 0.628696 BFGS: 1427 16:16:31 -360.468235 0.626721 BFGS: 1428 16:16:31 -360.500095 0.624743 BFGS: 1429 16:16:32 -360.531854 0.622762 BFGS: 1430 16:16:32 -360.563512 0.620779 BFGS: 1431 16:16:32 -360.595069 0.618792 BFGS: 1432 16:16:32 -360.626524 0.616803 BFGS: 1433 16:16:33 -360.657877 0.614811 BFGS: 1434 16:16:33 -360.689129 0.612816 BFGS: 1435 16:16:33 -360.720278 0.610818 BFGS: 1436 16:16:33 -360.751326 0.608817 BFGS: 1437 16:16:33 -360.782271 0.606813 BFGS: 1438 16:16:34 -360.813113 0.604806 BFGS: 1439 16:16:34 -360.843854 0.602796 BFGS: 1440 16:16:34 -360.874491 0.600784 BFGS: 1441 16:16:35 -360.905025 0.598768 BFGS: 1442 16:16:35 -360.935457 0.596750 BFGS: 1443 16:16:35 -360.965785 0.594728 BFGS: 1444 16:16:35 -360.996010 0.592704 BFGS: 1445 16:16:36 -361.026132 0.590676 BFGS: 1446 16:16:36 -361.056150 0.588646 BFGS: 1447 16:16:36 -361.086064 0.586613 BFGS: 1448 16:16:37 -361.115875 0.584577 BFGS: 1449 16:16:37 -361.145581 0.582538 BFGS: 1450 16:16:37 -361.175184 0.580496 BFGS: 1451 16:16:38 -361.204682 0.578451 BFGS: 1452 16:16:38 -361.234076 0.576403 BFGS: 1453 16:16:38 -361.263365 0.574353 BFGS: 1454 16:16:39 -361.292549 0.572299 BFGS: 1455 16:16:39 -361.321629 0.570243 BFGS: 1456 16:16:39 -361.350603 0.568183 BFGS: 1457 16:16:39 -361.379473 0.566121 BFGS: 1458 16:16:40 -361.408237 0.564056 BFGS: 1459 16:16:40 -361.436896 0.561988 BFGS: 1460 16:16:40 -361.465450 0.559917 BFGS: 1461 16:16:40 -361.493898 0.557843 BFGS: 1462 16:16:40 -361.522240 0.555766 BFGS: 1463 16:16:41 -361.550476 0.553687 BFGS: 1464 16:16:41 -361.578606 0.551604 BFGS: 1465 16:16:42 -361.606630 0.549519 BFGS: 1466 16:16:42 -361.634548 0.547431 BFGS: 1467 16:16:42 -361.662359 0.545340 BFGS: 1468 16:16:43 -361.690064 0.543246 BFGS: 1469 16:16:43 -361.717662 0.541150 BFGS: 1470 16:16:44 -361.745153 0.539050 BFGS: 1471 16:16:44 -361.772538 0.536948 BFGS: 1472 16:16:45 -361.799815 0.534843 BFGS: 1473 16:16:45 -361.826985 0.532735 BFGS: 1474 16:16:46 -361.854048 0.530625 BFGS: 1475 16:16:46 -361.881003 0.528511 BFGS: 1476 16:16:46 -361.907851 0.526395 BFGS: 1477 16:16:47 -361.934591 0.524277 BFGS: 1478 16:16:47 -361.961223 0.522155 BFGS: 1479 16:16:47 -361.987747 0.520031 BFGS: 1480 16:16:47 -362.014163 0.517904 BFGS: 1481 16:16:48 -362.040471 0.515774 BFGS: 1482 16:16:48 -362.066671 0.513641 BFGS: 1483 16:16:48 -362.092762 0.511506 BFGS: 1484 16:16:48 -362.118745 0.509368 BFGS: 1485 16:16:48 -362.144619 0.507228 BFGS: 1486 16:16:49 -362.170384 0.505084 BFGS: 1487 16:16:49 -362.196040 0.502938 BFGS: 1488 16:16:49 -362.221587 0.500790 BFGS: 1489 16:16:49 -362.247025 0.498639 BFGS: 1490 16:16:50 -362.272354 0.496485 BFGS: 1491 16:16:50 -362.297573 0.494328 BFGS: 1492 16:16:50 -362.322683 0.492169 BFGS: 1493 16:16:51 -362.347683 0.490007 BFGS: 1494 16:16:51 -362.372574 0.487843 BFGS: 1495 16:16:51 -362.397354 0.485676 BFGS: 1496 16:16:52 -362.422025 0.483506 BFGS: 1497 16:16:52 -362.446585 0.481334 BFGS: 1498 16:16:52 -362.471036 0.479159 BFGS: 1499 16:16:52 -362.495376 0.476982 BFGS: 1500 16:16:53 -362.519605 0.474802 BFGS: 1501 16:16:54 -362.543724 0.472619 BFGS: 1502 16:16:54 -362.567732 0.470434 BFGS: 1503 16:16:54 -362.591630 0.468247 BFGS: 1504 16:16:55 -362.615416 0.466057 BFGS: 1505 16:16:55 -362.639092 0.463864 BFGS: 1506 16:16:55 -362.662656 0.461669 BFGS: 1507 16:16:55 -362.686109 0.459472 BFGS: 1508 16:16:56 -362.709451 0.457272 BFGS: 1509 16:16:56 -362.732682 0.455069 BFGS: 1510 16:16:56 -362.755801 0.452864 BFGS: 1511 16:16:56 -362.778808 0.450657 BFGS: 1512 16:16:57 -362.801704 0.448447 BFGS: 1513 16:16:57 -362.824487 0.446235 BFGS: 1514 16:16:57 -362.847159 0.444020 BFGS: 1515 16:16:57 -362.869718 0.441803 BFGS: 1516 16:16:58 -362.892166 0.439583 BFGS: 1517 16:16:58 -362.914501 0.437361 BFGS: 1518 16:16:58 -362.936724 0.435137 BFGS: 1519 16:16:59 -362.958834 0.432910 BFGS: 1520 16:16:59 -362.980832 0.430681 BFGS: 1521 16:16:59 -363.002716 0.428450 BFGS: 1522 16:16:59 -363.024489 0.426216 BFGS: 1523 16:16:59 -363.046148 0.423980 BFGS: 1524 16:17:00 -363.067694 0.421742 BFGS: 1525 16:17:00 -363.089127 0.419501 BFGS: 1526 16:17:00 -363.110447 0.417258 BFGS: 1527 16:17:01 -363.131654 0.415013 BFGS: 1528 16:17:01 -363.152747 0.412766 BFGS: 1529 16:17:01 -363.173727 0.410516 BFGS: 1530 16:17:01 -363.194593 0.408264 BFGS: 1531 16:17:01 -363.215346 0.406010 BFGS: 1532 16:17:01 -363.235985 0.403753 BFGS: 1533 16:17:02 -363.256510 0.401494 BFGS: 1534 16:17:02 -363.276921 0.399233 BFGS: 1535 16:17:02 -363.297218 0.396970 BFGS: 1536 16:17:02 -363.317401 0.394705 BFGS: 1537 16:17:03 -363.337469 0.392437 BFGS: 1538 16:17:03 -363.357424 0.390168 BFGS: 1539 16:17:03 -363.377263 0.387896 BFGS: 1540 16:17:04 -363.396989 0.385622 BFGS: 1541 16:17:04 -363.416600 0.383346 BFGS: 1542 16:17:04 -363.436096 0.381068 BFGS: 1543 16:17:04 -363.455477 0.378787 BFGS: 1544 16:17:05 -363.474744 0.376505 BFGS: 1545 16:17:05 -363.493895 0.374220 BFGS: 1546 16:17:05 -363.512932 0.371934 BFGS: 1547 16:17:05 -363.531853 0.369645 BFGS: 1548 16:17:06 -363.550660 0.367355 BFGS: 1549 16:17:06 -363.569351 0.365062 BFGS: 1550 16:17:06 -363.587926 0.362767 BFGS: 1551 16:17:06 -363.606387 0.360470 BFGS: 1552 16:17:07 -363.624731 0.358172 BFGS: 1553 16:17:07 -363.642960 0.355871 BFGS: 1554 16:17:07 -363.661074 0.353568 BFGS: 1555 16:17:08 -363.679072 0.351263 BFGS: 1556 16:17:08 -363.696953 0.348957 BFGS: 1557 16:17:08 -363.714719 0.346648 BFGS: 1558 16:17:09 -363.732369 0.344337 BFGS: 1559 16:17:09 -363.749903 0.342025 BFGS: 1560 16:17:09 -363.767321 0.339711 BFGS: 1561 16:17:10 -363.784623 0.337394 BFGS: 1562 16:17:10 -363.801808 0.335076 BFGS: 1563 16:17:10 -363.818877 0.332756 BFGS: 1564 16:17:10 -363.835829 0.330434 BFGS: 1565 16:17:10 -363.852665 0.328111 BFGS: 1566 16:17:10 -363.869384 0.325785 BFGS: 1567 16:17:10 -363.885987 0.323458 BFGS: 1568 16:17:10 -363.902473 0.321128 BFGS: 1569 16:17:11 -363.918842 0.318797 BFGS: 1570 16:17:11 -363.935095 0.316465 BFGS: 1571 16:17:11 -363.951230 0.314130 BFGS: 1572 16:17:11 -363.967249 0.311794 BFGS: 1573 16:17:11 -363.983150 0.309456 BFGS: 1574 16:17:11 -363.998934 0.307114 BFGS: 1575 16:17:11 -364.014602 0.304771 BFGS: 1576 16:17:11 -364.030152 0.302427 BFGS: 1577 16:17:11 -364.045585 0.300083 BFGS: 1578 16:17:11 -364.060901 0.297737 BFGS: 1579 16:17:12 -364.076100 0.295391 BFGS: 1580 16:17:12 -364.091182 0.293043 BFGS: 1581 16:17:12 -364.106146 0.290695 BFGS: 1582 16:17:12 -364.120993 0.288346 BFGS: 1583 16:17:12 -364.135722 0.285995 BFGS: 1584 16:17:12 -364.150334 0.283643 BFGS: 1585 16:17:12 -364.164825 0.281164 BFGS: 1586 16:17:13 -364.179190 0.278677 BFGS: 1587 16:17:13 -364.193430 0.276188 BFGS: 1588 16:17:13 -364.207544 0.273695 BFGS: 1589 16:17:13 -364.221532 0.271200 BFGS: 1590 16:17:13 -364.235396 0.268702 BFGS: 1591 16:17:13 -364.249133 0.266202 BFGS: 1592 16:17:13 -364.262746 0.263699 BFGS: 1593 16:17:13 -364.276232 0.261194 BFGS: 1594 16:17:14 -364.289593 0.258687 BFGS: 1595 16:17:14 -364.302829 0.256178 BFGS: 1596 16:17:14 -364.315939 0.253667 BFGS: 1597 16:17:14 -364.328924 0.251154 BFGS: 1598 16:17:14 -364.341782 0.248639 BFGS: 1599 16:17:14 -364.354516 0.246122 BFGS: 1600 16:17:14 -364.367123 0.243604 BFGS: 1601 16:17:14 -364.379605 0.241084 BFGS: 1602 16:17:14 -364.391962 0.238563 BFGS: 1603 16:17:15 -364.404193 0.236040 BFGS: 1604 16:17:15 -364.416298 0.233515 BFGS: 1605 16:17:15 -364.428277 0.230989 BFGS: 1606 16:17:16 -364.440131 0.228462 BFGS: 1607 16:17:16 -364.451859 0.225934 BFGS: 1608 16:17:16 -364.463462 0.223404 BFGS: 1609 16:17:17 -364.474938 0.220873 BFGS: 1610 16:17:17 -364.486289 0.218341 BFGS: 1611 16:17:18 -364.497514 0.215808 BFGS: 1612 16:17:18 -364.508614 0.213274 BFGS: 1613 16:17:19 -364.519588 0.210739 BFGS: 1614 16:17:19 -364.530436 0.208203 BFGS: 1615 16:17:19 -364.541158 0.205666 BFGS: 1616 16:17:20 -364.551755 0.203128 BFGS: 1617 16:17:20 -364.562226 0.200589 BFGS: 1618 16:17:20 -364.572571 0.198049 BFGS: 1619 16:17:21 -364.582790 0.195509 BFGS: 1620 16:17:21 -364.592884 0.192967 BFGS: 1621 16:17:21 -364.602852 0.190425 BFGS: 1622 16:17:22 -364.612694 0.187883 BFGS: 1623 16:17:22 -364.622410 0.185339 BFGS: 1624 16:17:22 -364.632001 0.182795 BFGS: 1625 16:17:22 -364.641466 0.180251 BFGS: 1626 16:17:23 -364.650805 0.177706 BFGS: 1627 16:17:23 -364.660018 0.175160 BFGS: 1628 16:17:23 -364.669106 0.172614 BFGS: 1629 16:17:23 -364.678068 0.170067 BFGS: 1630 16:17:24 -364.686904 0.167520 BFGS: 1631 16:17:24 -364.695615 0.164973 BFGS: 1632 16:17:24 -364.704200 0.162425 BFGS: 1633 16:17:24 -364.712659 0.159876 BFGS: 1634 16:17:24 -364.720993 0.157328 BFGS: 1635 16:17:25 -364.729192 0.154331 BFGS: 1636 16:17:25 -364.737238 0.151188 BFGS: 1637 16:17:25 -364.745128 0.148044 BFGS: 1638 16:17:25 -364.752864 0.144900 BFGS: 1639 16:17:26 -364.760445 0.141756 BFGS: 1640 16:17:26 -364.767872 0.138611 BFGS: 1641 16:17:26 -364.775144 0.135467 BFGS: 1642 16:17:26 -364.782261 0.132323 BFGS: 1643 16:17:27 -364.789224 0.129180 BFGS: 1644 16:17:27 -364.796032 0.126037 BFGS: 1645 16:17:27 -364.802686 0.122895 BFGS: 1646 16:17:28 -364.809186 0.119754 BFGS: 1647 16:17:28 -364.815531 0.116614 BFGS: 1648 16:17:29 -364.821723 0.113475 BFGS: 1649 16:17:29 -364.827760 0.110337 BFGS: 1650 16:17:29 -364.833643 0.107200 BFGS: 1651 16:17:29 -364.839373 0.104064 BFGS: 1652 16:17:29 -364.844949 0.100929 BFGS: 1653 16:17:30 -364.850371 0.097796 BFGS: 1654 16:17:30 -364.855639 0.094664 BFGS: 1655 16:17:30 -364.860754 0.091533 BFGS: 1656 16:17:30 -364.865716 0.088404 BFGS: 1657 16:17:31 -364.870524 0.085276 BFGS: 1658 16:17:31 -364.875179 0.082150 BFGS: 1659 16:17:31 -364.879681 0.079025 BFGS: 1660 16:17:31 -364.884030 0.075902 BFGS: 1661 16:17:31 -364.888226 0.072781 BFGS: 1662 16:17:32 -364.892270 0.069662 BFGS: 1663 16:17:32 -364.896161 0.066544 BFGS: 1664 16:17:32 -364.899899 0.063429 BFGS: 1665 16:17:32 -364.903485 0.060315 BFGS: 1666 16:17:33 -364.906920 0.057204 BFGS: 1667 16:17:33 -364.910202 0.054095 BFGS: 1668 16:17:34 -364.913330 0.050988 BFGS: 1669 16:17:34 -364.916302 0.048320 BFGS: 1670 16:17:34 -364.919119 0.047877 BFGS: 1671 16:17:35 -364.921780 0.047429 BFGS: 1672 16:17:35 -364.924286 0.046975 BFGS: 1673 16:17:36 -364.926636 0.046515 BFGS: 1674 16:17:36 -364.928832 0.046047 BFGS: 1675 16:17:37 -364.930873 0.045572 BFGS: 1676 16:17:37 -364.932760 0.045088 BFGS: 1677 16:17:38 -364.934493 0.044594 BFGS: 1678 16:17:38 -364.936072 0.044089 BFGS: 1679 16:17:39 -364.937498 0.043571 BFGS: 1680 16:17:39 -364.938771 0.043038 BFGS: 1681 16:17:39 -364.939893 0.042488 BFGS: 1682 16:17:40 -364.940863 0.041917 BFGS: 1683 16:17:40 -364.941683 0.041335 BFGS: 1684 16:17:41 -364.942355 0.041681 BFGS: 1685 16:17:41 -364.942880 0.041996 BFGS: 1686 16:17:42 -364.943262 0.042268 BFGS: 1687 16:17:42 -364.943508 0.042473 BFGS: 1688 16:17:43 -364.943638 0.042541 BFGS: 1689 16:17:43 -364.943701 0.042379 BFGS: 1690 16:17:44 -364.944016 0.041013 BFGS: 1691 16:17:44 -364.944530 0.037911 BFGS: 1692 16:17:44 -364.945381 0.031180 BFGS: 1693 16:17:45 -364.946072 0.032404 BFGS: 1694 16:17:45 -364.946323 0.033858 BFGS: 1695 16:17:45 -364.946449 0.029891 BFGS: 1696 16:17:46 -364.946504 0.025458 BFGS: 1697 16:17:46 -364.946635 0.012195 BFGS: 1698 16:17:47 -364.946718 0.006698 BFGS: 1699 16:17:47 -364.946751 0.006130 BFGS: 1700 16:17:48 -364.946755 0.006519 BFGS: 1701 16:17:48 -364.946757 0.006442 BFGS: 1702 16:17:49 -364.946760 0.006237 BFGS: 1703 16:17:49 -364.946765 0.005919 BFGS: 1704 16:17:49 -364.946774 0.006234 BFGS: 1705 16:17:50 -364.946786 0.009281 BFGS: 1706 16:17:50 -364.946802 0.010967 BFGS: 1707 16:17:50 -364.946824 0.010364 BFGS: 1708 16:17:51 -364.946850 0.006966 BFGS: 1709 16:17:51 -364.946869 0.004322 BFGS: 1710 16:17:52 -364.946876 0.001224 BFGS: 1711 16:17:52 -364.946877 0.000317 BFGS: 1712 16:17:52 -364.946877 0.000067 BFGS: 1713 16:17:52 -364.946877 0.000008 BFGS: 1714 16:17:53 -364.946877 0.000001 BFGS: 1715 16:17:53 -364.946877 0.000000 BFGS: 1716 16:17:53 -364.946877 0.000000 Minimization converged after 1716 steps. Maximum force component: 7.277326268268081e-09 eV/Angstrom Maximum stress component: 2.009188114044628e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[1.25000000e-01 1.25000000e-01 1.25000000e-01] [8.75000000e-01 8.75000000e-01 1.25000000e-01] [8.75000000e-01 1.25000000e-01 8.75000000e-01] [1.25000000e-01 8.75000000e-01 8.75000000e-01] [3.75000000e-01 3.75000000e-01 1.25000000e-01] [3.75000000e-01 1.25000000e-01 3.75000000e-01] [1.25000000e-01 3.75000000e-01 3.75000000e-01] [1.25000000e-01 6.25000000e-01 6.25000000e-01] [8.75000000e-01 3.75000000e-01 6.25000000e-01] [8.75000000e-01 6.25000000e-01 3.75000000e-01] [3.75000000e-01 8.75000000e-01 6.25000000e-01] [3.75000000e-01 6.25000000e-01 8.75000000e-01] [6.25000000e-01 1.25000000e-01 6.25000000e-01] [6.25000000e-01 8.75000000e-01 3.75000000e-01] [6.25000000e-01 3.75000000e-01 8.75000000e-01] [6.25000000e-01 6.25000000e-01 1.25000000e-01] [3.07975586e-01 9.24454937e-33 2.52292879e-32] [6.92024414e-01 9.24400248e-33 2.52286253e-32] [9.42024414e-01 2.50000000e-01 2.50000000e-01] [5.57975586e-01 2.50000000e-01 2.50000000e-01] [3.07975586e-01 5.00000000e-01 5.00000000e-01] [6.92024414e-01 5.00000000e-01 5.00000000e-01] [9.42024414e-01 7.50000000e-01 7.50000000e-01] [5.57975586e-01 7.50000000e-01 7.50000000e-01] [8.07975586e-01 9.24469829e-33 5.00000000e-01] [1.92024414e-01 9.24418050e-33 5.00000000e-01] [4.42024414e-01 2.50000000e-01 7.50000000e-01] [5.79755855e-02 2.50000000e-01 7.50000000e-01] [8.07975586e-01 5.00000000e-01 2.48429806e-32] [1.92024414e-01 5.00000000e-01 2.52265900e-32] [4.42024414e-01 7.50000000e-01 2.50000000e-01] [5.79755855e-02 7.50000000e-01 2.50000000e-01] [0.00000000e+00 1.87061503e-01 2.52296823e-32] [0.00000000e+00 8.12938497e-01 2.52296823e-32] [2.50000000e-01 6.29384969e-02 2.50000000e-01] [2.50000000e-01 4.37061503e-01 2.50000000e-01] [0.00000000e+00 6.87061503e-01 5.00000000e-01] [0.00000000e+00 3.12938497e-01 5.00000000e-01] [2.50000000e-01 5.62938497e-01 7.50000000e-01] [2.50000000e-01 9.37061503e-01 7.50000000e-01] [5.00000000e-01 1.87061503e-01 5.00000000e-01] [5.00000000e-01 8.12938497e-01 5.00000000e-01] [7.50000000e-01 6.29384969e-02 7.50000000e-01] [7.50000000e-01 4.37061503e-01 7.50000000e-01] [5.00000000e-01 6.87061503e-01 2.52296823e-32] [5.00000000e-01 3.12938497e-01 2.52296823e-32] [7.50000000e-01 5.62938497e-01 2.50000000e-01] [7.50000000e-01 9.37061503e-01 2.50000000e-01]] cellpar = Cell([9.433990391601956, 14.637415510663633, 4.802240289248363]) forces = [[ 2.79078983e-29 -5.77344242e-30 -1.89414981e-30] [-1.86052655e-30 -1.15468848e-29 -9.47074905e-31] [-1.39539491e-29 2.88672121e-30 -1.89414981e-30] [ 7.44210620e-30 -4.33008182e-30 -2.36768726e-30] [-1.86052655e-30 5.77344242e-30 -4.73537453e-31] [-1.67447390e-29 5.77344242e-30 1.89414981e-30] [-2.04657921e-29 5.77344242e-30 4.73537453e-31] [ 3.53500045e-29 -1.29902455e-29 0.00000000e+00] [-1.86052655e-30 4.33008182e-30 -9.47074905e-31] [ 5.58157965e-30 4.33008182e-30 -5.68244943e-30] [ 0.00000000e+00 -1.08252045e-29 4.73537453e-31] [ 7.44210620e-30 5.77344242e-30 -3.78829962e-30] [-7.44210620e-30 0.00000000e+00 -1.89414981e-30] [ 1.11631593e-29 -1.58769667e-29 -9.47074905e-31] [ 7.44210620e-30 7.21680303e-30 9.47074905e-31] [-2.97684248e-29 -1.73203273e-29 0.00000000e+00] [ 3.68926118e-09 -5.77344242e-30 -5.68244943e-30] [-3.68926118e-09 1.15468848e-29 -9.47074905e-31] [-3.68926118e-09 -1.73203273e-29 0.00000000e+00] [ 3.68926118e-09 -5.77344242e-30 -3.78829962e-30] [ 3.68926118e-09 -5.77344242e-30 7.57659924e-30] [-3.68926118e-09 -1.15468848e-29 0.00000000e+00] [-3.68926118e-09 0.00000000e+00 7.57659924e-30] [ 3.68926118e-09 -2.30937697e-29 0.00000000e+00] [ 3.68926118e-09 1.73203273e-29 -1.37325861e-29] [-3.68926118e-09 5.77344242e-30 1.32590487e-29] [-3.68926118e-09 1.15468848e-29 3.78829962e-30] [ 3.68926118e-09 -1.15468848e-29 0.00000000e+00] [ 3.68926118e-09 0.00000000e+00 1.51531985e-29] [-3.68926118e-09 -5.77344242e-30 0.00000000e+00] [-3.68926118e-09 5.77344242e-30 7.57659924e-30] [ 3.68926118e-09 -5.77344242e-30 -3.78829962e-30] [ 0.00000000e+00 -7.27732627e-09 9.47074905e-31] [-3.72105310e-30 7.27732627e-09 -1.18384363e-30] [ 0.00000000e+00 7.27732627e-09 0.00000000e+00] [ 0.00000000e+00 -7.27732627e-09 0.00000000e+00] [ 0.00000000e+00 -7.27732627e-09 -1.89414981e-30] [-1.86052655e-30 7.27732627e-09 -2.84122472e-30] [ 0.00000000e+00 7.27732627e-09 -4.73537453e-30] [ 0.00000000e+00 -7.27732627e-09 9.47074905e-31] [ 9.30263275e-31 -7.27732627e-09 -9.47074905e-31] [ 0.00000000e+00 7.27732627e-09 4.73537453e-31] [ 0.00000000e+00 7.27732627e-09 -9.47074905e-31] [ 0.00000000e+00 -7.27732627e-09 9.47074905e-31] [ 0.00000000e+00 -7.27732627e-09 -4.73537453e-30] [ 1.86052655e-30 7.27732627e-09 -1.42061236e-30] [ 0.00000000e+00 7.27732627e-09 0.00000000e+00] [ 0.00000000e+00 -7.27732627e-09 -5.68244943e-30]] stress = [ 2.88342613e-11 -3.41785890e-11 -2.00918811e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -7.603059934104093 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0