element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 16:35:29 -3777.580515 35.264410 BFGS: 1 16:35:29 -3783.015024 35.133112 BFGS: 2 16:35:30 -3786.652456 35.006189 BFGS: 3 16:35:30 -3789.273094 34.887867 BFGS: 4 16:35:30 -3791.201850 34.777129 BFGS: 5 16:35:31 -3792.637527 34.672143 BFGS: 6 16:35:31 -3793.705359 34.571593 BFGS: 7 16:35:31 -3794.489123 34.474542 BFGS: 8 16:35:31 -3795.050936 34.380301 BFGS: 9 16:35:31 -3795.436479 34.288338 BFGS: 10 16:35:32 -3795.681399 34.198269 BFGS: 11 16:35:32 -3795.815168 34.109753 BFGS: 12 16:35:32 -3795.862099 34.022513 BFGS: 13 16:35:32 -3795.842242 33.936357 BFGS: 14 16:35:32 -3795.774318 33.851062 BFGS: 15 16:35:33 -3795.673574 33.766436 BFGS: 16 16:35:33 -3795.554503 34.493644 BFGS: 17 16:35:33 -3795.307949 33.599834 BFGS: 18 16:35:33 -3795.521744 32.898287 BFGS: 19 16:35:33 -3796.070110 32.807864 BFGS: 20 16:35:34 -3796.584031 33.457977 BFGS: 21 16:35:34 -3796.795956 32.632494 BFGS: 22 16:35:34 -3797.432124 33.279895 BFGS: 23 16:35:34 -3797.729659 32.468676 BFGS: 24 16:35:34 -3798.451089 33.144416 BFGS: 25 16:35:34 -3798.804212 32.347793 BFGS: 26 16:35:34 -3799.583397 32.287979 BFGS: 27 16:35:35 -3800.313978 32.228059 BFGS: 28 16:35:35 -3801.021657 32.774236 BFGS: 29 16:35:35 -3801.407039 32.107639 BFGS: 30 16:35:35 -3802.162567 32.652613 BFGS: 31 16:35:35 -3802.583098 31.987651 BFGS: 32 16:35:35 -3803.368822 31.928223 BFGS: 33 16:35:35 -3804.139390 31.868790 BFGS: 34 16:35:35 -3804.912132 32.411165 BFGS: 35 16:35:36 -3805.354793 31.749546 BFGS: 36 16:35:36 -3806.175719 31.690550 BFGS: 37 16:35:36 -3806.995555 33.057838 BFGS: 38 16:35:36 -3807.181095 31.571490 BFGS: 39 16:35:36 -3808.269834 31.513417 BFGS: 40 16:35:36 -3809.339422 32.052635 BFGS: 41 16:35:37 -3810.016563 31.396538 BFGS: 42 16:35:37 -3811.056541 31.934480 BFGS: 43 16:35:37 -3811.703715 31.280056 BFGS: 44 16:35:37 -3812.710782 31.940775 BFGS: 45 16:35:37 -3813.269560 31.163826 BFGS: 46 16:35:37 -3814.265778 31.106402 BFGS: 47 16:35:37 -3815.230895 31.048990 BFGS: 48 16:35:38 -3816.178308 31.583110 BFGS: 49 16:35:38 -3816.760598 30.933743 BFGS: 50 16:35:38 -3817.696432 30.876692 BFGS: 51 16:35:38 -3818.613805 30.819669 BFGS: 52 16:35:38 -3819.519839 30.762731 BFGS: 53 16:35:38 -3820.418745 30.705879 BFGS: 54 16:35:39 -3821.313489 30.649113 BFGS: 55 16:35:39 -3822.206183 30.592423 BFGS: 56 16:35:39 -3823.097471 30.535789 BFGS: 57 16:35:39 -3823.987745 30.479187 BFGS: 58 16:35:39 -3824.877552 30.422617 BFGS: 59 16:35:39 -3825.768932 31.373347 BFGS: 60 16:35:40 -3826.155874 30.308669 BFGS: 61 16:35:40 -3827.135661 31.253994 BFGS: 62 16:35:40 -3827.578624 30.195127 BFGS: 63 16:35:40 -3828.612091 30.719538 BFGS: 64 16:35:40 -3829.276172 31.427089 BFGS: 65 16:35:41 -3829.571563 30.603930 BFGS: 66 16:35:41 -3830.320775 31.238860 BFGS: 67 16:35:41 -3830.688407 29.911100 BFGS: 68 16:35:41 -3831.815162 29.855254 BFGS: 69 16:35:41 -3832.895991 29.799074 BFGS: 70 16:35:42 -3833.936020 29.742745 BFGS: 71 16:35:42 -3834.946138 30.261087 BFGS: 72 16:35:42 -3835.579724 29.629312 BFGS: 73 16:35:42 -3836.522058 29.572796 BFGS: 74 16:35:42 -3837.426380 29.516094 BFGS: 75 16:35:42 -3838.296475 29.459277 BFGS: 76 16:35:43 -3839.134694 29.402373 BFGS: 77 16:35:43 -3839.942970 29.345407 BFGS: 78 16:35:43 -3840.729667 30.160068 BFGS: 79 16:35:43 -3841.068277 29.231215 BFGS: 80 16:35:43 -3841.863448 29.174563 BFGS: 81 16:35:43 -3842.619068 29.117830 BFGS: 82 16:35:43 -3843.337574 29.061056 BFGS: 83 16:35:43 -3844.027161 29.862982 BFGS: 84 16:35:43 -3844.295163 28.947468 BFGS: 85 16:35:43 -3844.991013 28.891102 BFGS: 86 16:35:43 -3845.640391 28.834746 BFGS: 87 16:35:43 -3846.245781 28.778437 BFGS: 88 16:35:43 -3846.816287 29.568173 BFGS: 89 16:35:43 -3846.997700 28.665908 BFGS: 90 16:35:43 -3847.583596 29.451056 BFGS: 91 16:35:43 -3847.767517 29.392638 BFGS: 92 16:35:44 -3847.916753 28.498426 BFGS: 93 16:35:44 -3848.458059 28.443138 BFGS: 94 16:35:44 -3848.937584 28.387920 BFGS: 95 16:35:44 -3849.360051 28.332864 BFGS: 96 16:35:44 -3849.730238 28.277963 BFGS: 97 16:35:44 -3850.052435 28.223225 BFGS: 98 16:35:44 -3850.328872 28.168660 BFGS: 99 16:35:44 -3850.562886 28.114266 BFGS: 100 16:35:44 -3850.756639 28.060055 BFGS: 101 16:35:44 -3850.913100 28.005994 BFGS: 102 16:35:44 -3851.033397 27.952118 BFGS: 103 16:35:44 -3851.124775 28.707622 BFGS: 104 16:35:44 -3850.969048 27.844529 BFGS: 105 16:35:45 -3851.123981 27.791219 BFGS: 106 16:35:45 -3851.231563 27.738067 BFGS: 107 16:35:45 -3851.296669 27.685104 BFGS: 108 16:35:45 -3851.326315 28.429706 BFGS: 109 16:35:45 -3851.118464 27.579246 BFGS: 110 16:35:45 -3851.196346 27.526809 BFGS: 111 16:35:45 -3851.223397 27.474530 BFGS: 112 16:35:45 -3851.204221 27.422467 BFGS: 113 16:35:45 -3851.142172 27.370618 BFGS: 114 16:35:45 -3851.039609 27.318993 BFGS: 115 16:35:45 -3850.905398 28.048745 BFGS: 116 16:35:46 -3850.571463 27.215661 BFGS: 117 16:35:46 -3850.488764 27.164523 BFGS: 118 16:35:46 -3850.358790 27.113579 BFGS: 119 16:35:46 -3850.189662 27.835018 BFGS: 120 16:35:46 -3849.821271 27.011613 BFGS: 121 16:35:46 -3849.687481 26.961184 BFGS: 122 16:35:46 -3849.502099 26.910943 BFGS: 123 16:35:46 -3849.270940 26.860907 BFGS: 124 16:35:46 -3848.996662 26.811098 BFGS: 125 16:35:47 -3848.683235 26.761495 BFGS: 126 16:35:47 -3848.334390 26.712079 BFGS: 127 16:35:47 -3847.951312 26.662870 BFGS: 128 16:35:47 -3847.537545 26.613846 BFGS: 129 16:35:47 -3847.094627 26.564990 BFGS: 130 16:35:47 -3846.624144 26.516343 BFGS: 131 16:35:47 -3846.128266 26.467850 BFGS: 132 16:35:47 -3845.608346 26.419541 BFGS: 133 16:35:47 -3845.065315 26.371411 BFGS: 134 16:35:47 -3844.501151 26.323448 BFGS: 135 16:35:47 -3843.916575 26.275626 BFGS: 136 16:35:47 -3843.312965 26.227987 BFGS: 137 16:35:47 -3842.690880 26.180513 BFGS: 138 16:35:47 -3842.051249 26.133214 BFGS: 139 16:35:48 -3841.395495 26.086077 BFGS: 140 16:35:48 -3840.723270 26.039107 BFGS: 141 16:35:48 -3840.039766 26.717196 BFGS: 142 16:35:48 -3839.271500 25.944765 BFGS: 143 16:35:48 -3838.671572 25.898100 BFGS: 144 16:35:48 -3838.047288 26.570393 BFGS: 145 16:35:48 -3837.313942 25.804509 BFGS: 146 16:35:48 -3836.737432 25.758303 BFGS: 147 16:35:48 -3836.125997 25.712311 BFGS: 148 16:35:48 -3835.483264 25.666526 BFGS: 149 16:35:48 -3834.812806 25.620938 BFGS: 150 16:35:48 -3834.116535 25.575545 BFGS: 151 16:35:48 -3833.396942 25.530322 BFGS: 152 16:35:49 -3832.656154 25.485261 BFGS: 153 16:35:49 -3831.895206 25.440412 BFGS: 154 16:35:49 -3831.116168 25.395733 BFGS: 155 16:35:49 -3830.320043 25.351227 BFGS: 156 16:35:49 -3829.508682 25.306886 BFGS: 157 16:35:49 -3828.682637 25.262711 BFGS: 158 16:35:49 -3827.843873 25.218684 BFGS: 159 16:35:49 -3826.992496 25.174832 BFGS: 160 16:35:49 -3826.129722 25.131140 BFGS: 161 16:35:49 -3825.256333 25.087611 BFGS: 162 16:35:50 -3824.373262 25.044242 BFGS: 163 16:35:50 -3823.481171 25.001034 BFGS: 164 16:35:50 -3822.580947 24.957986 BFGS: 165 16:35:50 -3821.673293 24.915095 BFGS: 166 16:35:50 -3820.759027 24.872364 BFGS: 167 16:35:50 -3819.838400 24.829788 BFGS: 168 16:35:50 -3818.912246 24.787367 BFGS: 169 16:35:51 -3817.980909 24.745126 BFGS: 170 16:35:51 -3817.045198 24.703042 BFGS: 171 16:35:51 -3816.105771 24.661113 BFGS: 172 16:35:51 -3815.162841 24.619364 BFGS: 173 16:35:51 -3814.217670 24.577755 BFGS: 174 16:35:51 -3813.269941 24.536322 BFGS: 175 16:35:51 -3812.320619 24.495067 BFGS: 176 16:35:51 -3811.370481 24.453969 BFGS: 177 16:35:51 -3810.419692 24.413049 BFGS: 178 16:35:51 -3809.468857 24.372315 BFGS: 179 16:35:51 -3808.518720 24.331716 BFGS: 180 16:35:52 -3807.569879 24.291318 BFGS: 181 16:35:52 -3806.622397 24.251108 BFGS: 182 16:35:52 -3805.677769 24.211050 BFGS: 183 16:35:52 -3804.735837 24.171173 BFGS: 184 16:35:52 -3803.796840 24.131495 BFGS: 185 16:35:52 -3802.862143 24.091979 BFGS: 186 16:35:52 -3801.932247 24.052635 BFGS: 187 16:35:52 -3801.007447 24.013467 BFGS: 188 16:35:52 -3800.087613 23.974510 BFGS: 189 16:35:52 -3799.174683 23.935688 BFGS: 190 16:35:52 -3798.267748 23.897071 BFGS: 191 16:35:53 -3797.368058 23.858610 BFGS: 192 16:35:53 -3796.476384 23.820305 BFGS: 193 16:35:53 -3795.592266 23.782191 BFGS: 194 16:35:53 -3794.716401 23.744238 BFGS: 195 16:35:53 -3793.849533 23.706406 BFGS: 196 16:35:53 -3792.991217 23.668756 BFGS: 197 16:35:53 -3792.141647 23.631244 BFGS: 198 16:35:53 -3791.301388 23.593863 BFGS: 199 16:35:54 -3790.470533 23.556590 BFGS: 200 16:35:54 -3789.648485 23.519431 BFGS: 201 16:35:54 -3788.835263 23.482361 BFGS: 202 16:35:54 -3788.030721 23.445362 BFGS: 203 16:35:54 -3787.233888 23.408408 BFGS: 204 16:35:54 -3786.444674 23.371481 BFGS: 205 16:35:54 -3785.662033 23.334557 BFGS: 206 16:35:54 -3784.886513 23.297560 BFGS: 207 16:35:54 -3784.117224 23.260527 BFGS: 208 16:35:55 -3783.353881 23.223484 BFGS: 209 16:35:55 -3782.596382 23.186418 BFGS: 210 16:35:55 -3781.844528 23.149338 BFGS: 211 16:35:55 -3781.098514 23.112246 BFGS: 212 16:35:55 -3780.358391 23.075129 BFGS: 213 16:35:55 -3779.623808 23.038018 BFGS: 214 16:35:55 -3778.894351 23.000906 BFGS: 215 16:35:55 -3778.170583 22.963776 BFGS: 216 16:35:55 -3777.452232 22.926643 BFGS: 217 16:35:55 -3776.738733 22.889497 BFGS: 218 16:35:55 -3776.029909 22.852371 BFGS: 219 16:35:55 -3775.326710 22.815233 BFGS: 220 16:35:55 -3774.628310 22.778090 BFGS: 221 16:35:55 -3773.935107 22.740937 BFGS: 222 16:35:55 -3773.246771 22.703759 BFGS: 223 16:35:56 -3772.564152 22.906623 BFGS: 224 16:35:56 -3771.853493 22.868002 BFGS: 225 16:35:56 -3771.150855 22.829364 BFGS: 226 16:35:56 -3770.455861 22.790691 BFGS: 227 16:35:56 -3769.767206 22.751990 BFGS: 228 16:35:56 -3769.084964 22.713299 BFGS: 229 16:35:56 -3768.408206 22.674594 BFGS: 230 16:35:56 -3767.737656 22.635858 BFGS: 231 16:35:56 -3767.072510 22.597116 BFGS: 232 16:35:56 -3766.412499 22.558353 BFGS: 233 16:35:56 -3765.757346 22.519576 BFGS: 234 16:35:56 -3765.107333 22.480769 BFGS: 235 16:35:56 -3764.462511 22.441914 BFGS: 236 16:35:56 -3763.822352 22.403052 BFGS: 237 16:35:56 -3763.186484 22.364164 BFGS: 238 16:35:56 -3762.555252 22.325221 BFGS: 239 16:35:56 -3761.928341 22.286269 BFGS: 240 16:35:57 -3761.305697 22.247263 BFGS: 241 16:35:57 -3760.687216 22.208237 BFGS: 242 16:35:57 -3760.072684 22.169178 BFGS: 243 16:35:57 -3759.462413 22.130054 BFGS: 244 16:35:57 -3758.855373 22.090921 BFGS: 245 16:35:57 -3758.252572 22.051721 BFGS: 246 16:35:57 -3757.652804 22.012509 BFGS: 247 16:35:57 -3757.057025 21.973254 BFGS: 248 16:35:57 -3756.464487 21.933958 BFGS: 249 16:35:57 -3755.875482 21.894621 BFGS: 250 16:35:57 -3755.289959 21.855227 BFGS: 251 16:35:57 -3754.707492 21.815808 BFGS: 252 16:35:57 -3754.128266 21.776338 BFGS: 253 16:35:57 -3753.552282 21.736821 BFGS: 254 16:35:57 -3752.979100 21.697283 BFGS: 255 16:35:57 -3752.408746 21.657685 BFGS: 256 16:35:57 -3751.841742 21.618061 BFGS: 257 16:35:58 -3751.277737 21.578386 BFGS: 258 16:35:58 -3750.716505 21.538681 BFGS: 259 16:35:58 -3750.157845 21.498936 BFGS: 260 16:35:58 -3749.602105 21.459179 BFGS: 261 16:35:58 -3749.049357 21.419365 BFGS: 262 16:35:58 -3748.499042 21.379546 BFGS: 263 16:35:58 -3747.951129 21.339701 BFGS: 264 16:35:58 -3747.406174 21.299827 BFGS: 265 16:35:58 -3746.864055 21.259909 BFGS: 266 16:35:58 -3746.324671 21.219973 BFGS: 267 16:35:58 -3745.788287 21.179997 BFGS: 268 16:35:58 -3745.254418 21.140005 BFGS: 269 16:35:58 -3744.723237 21.100001 BFGS: 270 16:35:58 -3744.194678 21.059990 BFGS: 271 16:35:59 -3743.668840 21.019960 BFGS: 272 16:35:59 -3743.145789 20.979901 BFGS: 273 16:35:59 -3742.625509 20.939838 BFGS: 274 16:35:59 -3742.107883 20.899763 BFGS: 275 16:35:59 -3741.592999 20.859674 BFGS: 276 16:35:59 -3741.080719 20.819576 BFGS: 277 16:35:59 -3740.570999 20.779468 BFGS: 278 16:35:59 -3740.063669 20.739366 BFGS: 279 16:35:59 -3739.559566 20.699203 BFGS: 280 16:35:59 -3739.057379 20.659055 BFGS: 281 16:35:59 -3738.557754 20.618913 BFGS: 282 16:35:59 -3738.060333 20.578753 BFGS: 283 16:35:59 -3737.564664 20.538615 BFGS: 284 16:35:59 -3737.070796 20.498462 BFGS: 285 16:36:00 -3736.578920 20.458314 BFGS: 286 16:36:00 -3736.088588 20.418164 BFGS: 287 16:36:00 -3735.599232 20.378042 BFGS: 288 16:36:00 -3735.111201 20.337918 BFGS: 289 16:36:00 -3734.623869 20.297780 BFGS: 290 16:36:00 -3734.136705 20.257674 BFGS: 291 16:36:00 -3733.646543 19.606452 BFGS: 292 16:36:00 -3733.263013 19.567866 BFGS: 293 16:36:00 -3732.866842 19.529315 BFGS: 294 16:36:00 -3732.460315 19.490792 BFGS: 295 16:36:00 -3732.045030 19.452299 BFGS: 296 16:36:00 -3731.621932 19.413827 BFGS: 297 16:36:00 -3731.191034 19.375388 BFGS: 298 16:36:00 -3730.752986 19.336960 BFGS: 299 16:36:00 -3730.308007 19.298548 BFGS: 300 16:36:01 -3729.855468 19.260157 BFGS: 301 16:36:01 -3729.395697 19.221771 BFGS: 302 16:36:01 -3728.928045 19.183416 BFGS: 303 16:36:01 -3728.452355 19.145083 BFGS: 304 16:36:01 -3727.968551 19.106769 BFGS: 305 16:36:01 -3727.476153 19.068476 BFGS: 306 16:36:01 -3726.974572 19.030212 BFGS: 307 16:36:01 -3726.463462 18.991976 BFGS: 308 16:36:01 -3725.942173 18.953770 BFGS: 309 16:36:01 -3725.410644 18.915597 BFGS: 310 16:36:01 -3724.865219 18.200090 BFGS: 311 16:36:01 -3724.419789 18.839602 BFGS: 312 16:36:01 -3723.858736 18.125833 BFGS: 313 16:36:01 -3723.392762 18.088893 BFGS: 314 16:36:01 -3722.904728 18.725684 BFGS: 315 16:36:02 -3722.307219 18.687587 BFGS: 316 16:36:02 -3721.692122 17.977702 BFGS: 317 16:36:02 -3721.171158 18.611944 BFGS: 318 16:36:02 -3720.533352 17.903901 BFGS: 319 16:36:02 -3719.983881 17.867269 BFGS: 320 16:36:02 -3719.408111 18.499046 BFGS: 321 16:36:02 -3718.719109 17.793868 BFGS: 322 16:36:02 -3718.115681 17.757480 BFGS: 323 16:36:02 -3717.481092 17.721166 BFGS: 324 16:36:02 -3716.818701 17.684911 BFGS: 325 16:36:02 -3716.129712 17.648726 BFGS: 326 16:36:02 -3715.415867 17.612577 BFGS: 327 16:36:02 -3714.678280 17.576506 BFGS: 328 16:36:02 -3713.917826 17.540516 BFGS: 329 16:36:02 -3713.139835 18.165081 BFGS: 330 16:36:03 -3712.270617 17.468545 BFGS: 331 16:36:03 -3711.478117 17.432928 BFGS: 332 16:36:03 -3710.664015 18.055339 BFGS: 333 16:36:03 -3709.756184 17.361757 BFGS: 334 16:36:03 -3708.920742 17.326569 BFGS: 335 16:36:03 -3708.062261 17.946876 BFGS: 336 16:36:03 -3707.109158 17.256244 BFGS: 337 16:36:03 -3706.225370 17.221508 BFGS: 338 16:36:03 -3705.313198 17.186824 BFGS: 339 16:36:03 -3704.375129 17.152222 BFGS: 340 16:36:03 -3703.413187 17.117691 BFGS: 341 16:36:03 -3702.428288 17.083260 BFGS: 342 16:36:03 -3701.421723 17.048915 BFGS: 343 16:36:03 -3700.394718 17.014660 BFGS: 344 16:36:03 -3699.348407 16.980484 BFGS: 345 16:36:03 -3698.283196 16.946422 BFGS: 346 16:36:03 -3697.199746 16.912449 BFGS: 347 16:36:04 -3696.099309 16.878593 BFGS: 348 16:36:04 -3694.981834 16.844851 BFGS: 349 16:36:04 -3693.847927 16.811223 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16:36:23 -3230.317554 10.004509 BFGS: 707 16:36:23 -3229.408223 9.995156 BFGS: 708 16:36:23 -3228.500554 9.985792 BFGS: 709 16:36:23 -3227.594101 9.976417 BFGS: 710 16:36:23 -3226.689148 9.967029 BFGS: 711 16:36:23 -3225.785797 9.957611 BFGS: 712 16:36:23 -3224.883454 9.948219 BFGS: 713 16:36:23 -3223.982636 9.938796 BFGS: 714 16:36:24 -3223.083191 9.929360 BFGS: 715 16:36:24 -3222.185000 9.919912 BFGS: 716 16:36:24 -3221.287937 9.910451 BFGS: 717 16:36:24 -3220.392081 9.900977 BFGS: 718 16:36:24 -3219.497611 9.891489 BFGS: 719 16:36:24 -3218.604340 9.881989 BFGS: 720 16:36:24 -3217.712186 9.872474 BFGS: 721 16:36:24 -3216.821219 9.862945 BFGS: 722 16:36:24 -3215.931242 9.853404 BFGS: 723 16:36:24 -3215.042496 9.843849 BFGS: 724 16:36:24 -3214.154778 9.834280 BFGS: 725 16:36:24 -3213.268105 9.824697 BFGS: 726 16:36:24 -3212.383362 9.937965 BFGS: 727 16:36:24 -3211.487208 9.927787 BFGS: 728 16:36:24 -3210.592443 9.917592 BFGS: 729 16:36:24 -3209.699658 9.907378 BFGS: 730 16:36:24 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BFGS: 1972 16:37:11 -2657.794941 3.068745 BFGS: 1973 16:37:11 -2657.366567 3.055540 BFGS: 1974 16:37:11 -2656.948233 3.042699 BFGS: 1975 16:37:11 -2656.538508 3.030032 BFGS: 1976 16:37:11 -2656.135578 3.017598 BFGS: 1977 16:37:11 -2655.738129 3.005387 BFGS: 1978 16:37:11 -2655.345674 2.993393 BFGS: 1979 16:37:12 -2654.957236 2.981616 BFGS: 1980 16:37:12 -2654.572492 2.970060 BFGS: 1981 16:37:12 -2654.191145 2.958729 BFGS: 1982 16:37:12 -2653.812997 2.947639 BFGS: 1983 16:37:12 -2653.437932 2.936820 BFGS: 1984 16:37:12 -2653.066114 2.926366 BFGS: 1985 16:37:12 -2652.698011 2.916471 BFGS: 1986 16:37:12 -2652.329386 2.906913 BFGS: 1987 16:37:12 -2651.958308 2.897567 BFGS: 1988 16:37:12 -2651.584138 2.888401 BFGS: 1989 16:37:12 -2651.205820 2.879413 BFGS: 1990 16:37:12 -2650.822265 2.870600 BFGS: 1991 16:37:12 -2650.429651 2.861990 BFGS: 1992 16:37:12 -2650.013938 2.873945 BFGS: 1993 16:37:12 -2649.578165 2.755669 BFGS: 1994 16:37:12 -2649.168043 2.742852 BFGS: 1995 16:37:12 -2648.720069 2.842046 BFGS: 1996 16:37:12 -2648.229048 2.723291 BFGS: 1997 16:37:12 -2647.739890 2.712606 BFGS: 1998 16:37:12 -2647.250366 2.703115 BFGS: 1999 16:37:12 -2646.763478 2.694165 BFGS: 2000 16:37:12 -2646.279756 2.685504 BFGS: 2001 16:37:12 -2645.799113 2.766939 BFGS: 2002 16:37:12 -2645.300676 2.668639 BFGS: 2003 16:37:12 -2644.806753 2.659589 BFGS: 2004 16:37:12 -2644.311342 2.650921 BFGS: 2005 16:37:12 -2643.816317 2.642508 BFGS: 2006 16:37:12 -2643.322076 2.634278 BFGS: 2007 16:37:12 -2642.829389 2.626185 BFGS: 2008 16:37:12 -2642.336567 2.618191 BFGS: 2009 16:37:12 -2641.842601 2.610315 BFGS: 2010 16:37:12 -2641.347998 2.602492 BFGS: 2011 16:37:12 -2640.852514 2.594729 BFGS: 2012 16:37:12 -2640.356025 2.586962 BFGS: 2013 16:37:13 -2639.857271 2.579294 BFGS: 2014 16:37:13 -2639.356929 2.662706 BFGS: 2015 16:37:13 -2638.833845 2.563884 BFGS: 2016 16:37:13 -2638.306293 2.736345 BFGS: 2017 16:37:13 -2637.771925 2.257778 BFGS: 2018 16:37:13 -2637.330667 2.248880 BFGS: 2019 16:37:13 -2636.857419 2.510992 BFGS: 2020 16:37:13 -2636.340874 2.231838 BFGS: 2021 16:37:13 -2635.838803 2.222696 BFGS: 2022 16:37:13 -2635.307268 2.213986 BFGS: 2023 16:37:13 -2634.749210 2.205403 BFGS: 2024 16:37:13 -2634.167075 2.196807 BFGS: 2025 16:37:13 -2633.582721 2.456524 BFGS: 2026 16:37:13 -2633.031482 2.465247 BFGS: 2027 16:37:13 -2632.476514 2.439996 BFGS: 2028 16:37:13 -2631.916656 2.164763 BFGS: 2029 16:37:13 -2631.331832 2.423061 BFGS: 2030 16:37:13 -2630.775971 2.414549 BFGS: 2031 16:37:13 -2630.210474 2.140098 BFGS: 2032 16:37:13 -2629.627595 2.131659 BFGS: 2033 16:37:13 -2629.024203 2.123239 BFGS: 2034 16:37:13 -2628.403446 2.114805 BFGS: 2035 16:37:13 -2627.786514 2.106590 BFGS: 2036 16:37:13 -2627.172746 2.098551 BFGS: 2037 16:37:13 -2626.563946 2.369826 BFGS: 2038 16:37:13 -2625.972133 2.082917 BFGS: 2039 16:37:13 -2625.350975 2.074712 BFGS: 2040 16:37:13 -2624.714517 2.066430 BFGS: 2041 16:37:13 -2624.067225 2.320835 BFGS: 2042 16:37:13 -2623.472735 2.050451 BFGS: 2043 16:37:13 -2622.832514 2.042088 BFGS: 2044 16:37:13 -2622.179656 2.033818 BFGS: 2045 16:37:14 -2621.519237 2.025617 BFGS: 2046 16:37:14 -2620.860196 2.017565 BFGS: 2047 16:37:14 -2620.203725 2.270201 BFGS: 2048 16:37:14 -2619.591132 2.002107 BFGS: 2049 16:37:14 -2618.927536 2.266948 BFGS: 2050 16:37:14 -2618.313225 1.986298 BFGS: 2051 16:37:14 -2617.652951 1.978180 BFGS: 2052 16:37:14 -2616.983482 1.970202 BFGS: 2053 16:37:14 -2616.305385 2.220777 BFGS: 2054 16:37:14 -2615.682010 1.954802 BFGS: 2055 16:37:14 -2615.005534 1.946888 BFGS: 2056 16:37:14 -2614.322253 1.939028 BFGS: 2057 16:37:14 -2613.634411 2.200298 BFGS: 2058 16:37:14 -2612.999462 1.923933 BFGS: 2059 16:37:14 -2612.317523 1.916280 BFGS: 2060 16:37:14 -2611.629878 1.908695 BFGS: 2061 16:37:14 -2610.936813 1.901162 BFGS: 2062 16:37:14 -2610.239266 1.893623 BFGS: 2063 16:37:14 -2609.537693 1.886191 BFGS: 2064 16:37:14 -2608.832863 1.878807 BFGS: 2065 16:37:14 -2608.123918 2.125858 BFGS: 2066 16:37:14 -2607.473259 1.864486 BFGS: 2067 16:37:14 -2606.771412 1.857235 BFGS: 2068 16:37:14 -2606.070518 1.850104 BFGS: 2069 16:37:14 -2605.372731 2.106385 BFGS: 2070 16:37:14 -2604.711069 1.836189 BFGS: 2071 16:37:14 -2604.013673 1.829233 BFGS: 2072 16:37:14 -2603.319701 1.822413 BFGS: 2073 16:37:14 -2602.627558 1.815713 BFGS: 2074 16:37:14 -2601.937435 1.809111 BFGS: 2075 16:37:14 -2601.249476 1.802562 BFGS: 2076 16:37:14 -2600.563153 1.796138 BFGS: 2077 16:37:15 -2599.881514 2.049585 BFGS: 2078 16:37:15 -2599.202818 2.033281 BFGS: 2079 16:37:15 -2598.493005 2.035194 BFGS: 2080 16:37:15 -2597.741580 2.018921 BFGS: 2081 16:37:15 -2597.006876 1.762701 BFGS: 2082 16:37:15 -2596.358285 1.757020 BFGS: 2083 16:37:15 -2595.705648 2.103298 BFGS: 2084 16:37:15 -2595.033886 1.745022 BFGS: 2085 16:37:15 -2594.373216 1.739294 BFGS: 2086 16:37:15 -2593.719229 1.733706 BFGS: 2087 16:37:15 -2593.070784 1.728235 BFGS: 2088 16:37:15 -2592.429735 1.978065 BFGS: 2089 16:37:15 -2591.730199 1.963224 BFGS: 2090 16:37:15 -2590.983064 1.709994 BFGS: 2091 16:37:15 -2590.330797 1.704684 BFGS: 2092 16:37:15 -2589.689200 1.953099 BFGS: 2093 16:37:15 -2588.974031 1.938802 BFGS: 2094 16:37:15 -2588.209281 2.034725 BFGS: 2095 16:37:15 -2587.465772 1.680674 BFGS: 2096 16:37:15 -2586.852247 1.676048 BFGS: 2097 16:37:15 -2586.241654 1.671471 BFGS: 2098 16:37:15 -2585.634490 1.666952 BFGS: 2099 16:37:15 -2585.030824 1.662494 BFGS: 2100 16:37:15 -2584.430726 1.658094 BFGS: 2101 16:37:15 -2583.833964 1.653754 BFGS: 2102 16:37:15 -2583.240765 1.649442 BFGS: 2103 16:37:15 -2582.648883 1.990067 BFGS: 2104 16:37:15 -2581.938155 1.639423 BFGS: 2105 16:37:15 -2581.324970 1.635050 BFGS: 2106 16:37:15 -2580.721607 1.630810 BFGS: 2107 16:37:15 -2580.128920 1.875188 BFGS: 2108 16:37:15 -2579.383389 1.620907 BFGS: 2109 16:37:15 -2578.752942 1.959350 BFGS: 2110 16:37:16 -2578.000383 1.610854 BFGS: 2111 16:37:16 -2577.415606 1.607062 BFGS: 2112 16:37:16 -2576.834868 1.843067 BFGS: 2113 16:37:16 -2576.074003 1.844029 BFGS: 2114 16:37:16 -2575.336435 1.592589 BFGS: 2115 16:37:16 -2574.751978 1.588947 BFGS: 2116 16:37:16 -2574.174994 1.585345 BFGS: 2117 16:37:16 -2573.604114 1.581862 BFGS: 2118 16:37:16 -2573.037861 1.816360 BFGS: 2119 16:37:16 -2572.276607 1.912734 BFGS: 2120 16:37:16 -2571.509268 1.567968 BFGS: 2121 16:37:16 -2570.951321 1.564761 BFGS: 2122 16:37:16 -2570.396811 1.561593 BFGS: 2123 16:37:16 -2569.845771 1.558465 BFGS: 2124 16:37:16 -2569.298133 1.555380 BFGS: 2125 16:37:16 -2568.753677 1.552331 BFGS: 2126 16:37:16 -2568.212025 1.549321 BFGS: 2127 16:37:16 -2567.673013 1.546342 BFGS: 2128 16:37:16 -2567.136273 1.543395 BFGS: 2129 16:37:16 -2566.601587 1.540476 BFGS: 2130 16:37:16 -2566.069299 1.771915 BFGS: 2131 16:37:16 -2565.320654 1.532768 BFGS: 2132 16:37:16 -2564.741065 1.529526 BFGS: 2133 16:37:16 -2564.173676 1.767225 BFGS: 2134 16:37:16 -2563.433217 1.521781 BFGS: 2135 16:37:16 -2562.867536 1.518752 BFGS: 2136 16:37:16 -2562.308306 1.515785 BFGS: 2137 16:37:16 -2561.754363 1.512874 BFGS: 2138 16:37:16 -2561.205139 1.510010 BFGS: 2139 16:37:16 -2560.660017 1.507188 BFGS: 2140 16:37:16 -2560.118191 1.504402 BFGS: 2141 16:37:16 -2559.579356 1.501649 BFGS: 2142 16:37:17 -2559.043026 1.498923 BFGS: 2143 16:37:17 -2558.508894 1.496221 BFGS: 2144 16:37:17 -2557.976481 1.493542 BFGS: 2145 16:37:17 -2557.445837 1.490858 BFGS: 2146 16:37:17 -2556.916409 1.488213 BFGS: 2147 16:37:17 -2556.387945 1.485583 BFGS: 2148 16:37:17 -2555.860544 1.482962 BFGS: 2149 16:37:17 -2555.333657 1.480353 BFGS: 2150 16:37:17 -2554.807397 1.477754 BFGS: 2151 16:37:17 -2554.283504 1.649808 BFGS: 2152 16:37:17 -2553.577910 1.471057 BFGS: 2153 16:37:17 -2553.010621 1.468190 BFGS: 2154 16:37:17 -2552.450194 1.465329 BFGS: 2155 16:37:17 -2551.894825 1.462513 BFGS: 2156 16:37:17 -2551.343616 1.459733 BFGS: 2157 16:37:17 -2550.798929 1.692555 BFGS: 2158 16:37:17 -2550.075816 1.452777 BFGS: 2159 16:37:17 -2549.534128 1.450104 BFGS: 2160 16:37:17 -2548.996112 1.682266 BFGS: 2161 16:37:17 -2548.281136 1.443322 BFGS: 2162 16:37:17 -2547.749575 1.440741 BFGS: 2163 16:37:17 -2547.217202 1.438147 BFGS: 2164 16:37:17 -2546.684650 1.435545 BFGS: 2165 16:37:17 -2546.151930 1.432939 BFGS: 2166 16:37:17 -2545.619254 1.430328 BFGS: 2167 16:37:17 -2545.086542 1.427715 BFGS: 2168 16:37:17 -2544.553850 1.425098 BFGS: 2169 16:37:17 -2544.021078 1.422479 BFGS: 2170 16:37:17 -2543.488078 1.419856 BFGS: 2171 16:37:17 -2542.957526 1.649853 BFGS: 2172 16:37:17 -2542.247760 1.582992 BFGS: 2173 16:37:17 -2541.611819 1.579220 BFGS: 2174 16:37:18 -2540.988884 1.406219 BFGS: 2175 16:37:18 -2540.490562 1.403858 BFGS: 2176 16:37:18 -2539.985822 1.401442 BFGS: 2177 16:37:18 -2539.476311 1.398982 BFGS: 2178 16:37:18 -2538.962755 1.396508 BFGS: 2179 16:37:18 -2538.445921 1.393981 BFGS: 2180 16:37:18 -2537.926302 1.391426 BFGS: 2181 16:37:18 -2537.404076 1.388848 BFGS: 2182 16:37:18 -2536.879834 1.386246 BFGS: 2183 16:37:18 -2536.353607 1.383626 BFGS: 2184 16:37:18 -2535.825630 1.380987 BFGS: 2185 16:37:18 -2535.296159 1.378331 BFGS: 2186 16:37:18 -2534.765318 1.375658 BFGS: 2187 16:37:18 -2534.233266 1.372971 BFGS: 2188 16:37:18 -2533.700052 1.370269 BFGS: 2189 16:37:18 -2533.168006 1.596789 BFGS: 2190 16:37:18 -2532.459000 1.363362 BFGS: 2191 16:37:18 -2531.930082 1.360645 BFGS: 2192 16:37:18 -2531.398991 1.357899 BFGS: 2193 16:37:18 -2530.868574 1.583520 BFGS: 2194 16:37:18 -2530.171618 1.579016 BFGS: 2195 16:37:18 -2529.498387 1.346965 BFGS: 2196 16:37:18 -2528.996328 1.344390 BFGS: 2197 16:37:18 -2528.488454 1.341764 BFGS: 2198 16:37:18 -2527.976174 1.339098 BFGS: 2199 16:37:18 -2527.460099 1.336400 BFGS: 2200 16:37:18 -2526.941061 1.333676 BFGS: 2201 16:37:18 -2526.419443 1.330930 BFGS: 2202 16:37:18 -2525.895857 1.328155 BFGS: 2203 16:37:18 -2525.369976 1.325375 BFGS: 2204 16:37:18 -2524.842491 1.322580 BFGS: 2205 16:37:19 -2524.313477 1.319775 BFGS: 2206 16:37:19 -2523.783322 1.316958 BFGS: 2207 16:37:19 -2523.251942 1.314136 BFGS: 2208 16:37:19 -2522.719640 1.311304 BFGS: 2209 16:37:19 -2522.187067 1.308424 BFGS: 2210 16:37:19 -2521.653246 1.305582 BFGS: 2211 16:37:19 -2521.118726 1.302738 BFGS: 2212 16:37:19 -2520.583707 1.299889 BFGS: 2213 16:37:19 -2520.048233 1.297038 BFGS: 2214 16:37:19 -2519.512271 1.294186 BFGS: 2215 16:37:19 -2518.975969 1.291333 BFGS: 2216 16:37:19 -2518.441806 1.512689 BFGS: 2217 16:37:19 -2517.750214 1.284303 BFGS: 2218 16:37:19 -2517.229833 1.281527 BFGS: 2219 16:37:19 -2516.707298 1.278733 BFGS: 2220 16:37:19 -2516.183628 1.275902 BFGS: 2221 16:37:19 -2515.658621 1.273092 BFGS: 2222 16:37:19 -2515.132527 1.270282 BFGS: 2223 16:37:19 -2514.605794 1.267471 BFGS: 2224 16:37:19 -2514.078461 1.264661 BFGS: 2225 16:37:19 -2513.550641 1.261854 BFGS: 2226 16:37:19 -2513.022429 1.259051 BFGS: 2227 16:37:19 -2512.494001 1.256251 BFGS: 2228 16:37:19 -2511.965271 1.253458 BFGS: 2229 16:37:19 -2511.436398 1.250670 BFGS: 2230 16:37:19 -2510.907409 1.247888 BFGS: 2231 16:37:19 -2510.378443 1.245112 BFGS: 2232 16:37:19 -2509.849324 1.242345 BFGS: 2233 16:37:19 -2509.320276 1.239584 BFGS: 2234 16:37:19 -2508.791297 1.236831 BFGS: 2235 16:37:19 -2508.264647 1.454958 BFGS: 2236 16:37:19 -2507.588198 1.230109 BFGS: 2237 16:37:20 -2507.079985 1.227499 BFGS: 2238 16:37:20 -2506.569700 1.224878 BFGS: 2239 16:37:20 -2506.060167 1.442363 BFGS: 2240 16:37:20 -2505.399081 1.218383 BFGS: 2241 16:37:20 -2504.904977 1.215879 BFGS: 2242 16:37:20 -2504.409697 1.369842 BFGS: 2243 16:37:20 -2503.783648 1.209773 BFGS: 2244 16:37:20 -2503.281270 1.207205 BFGS: 2245 16:37:20 -2502.778359 1.204650 BFGS: 2246 16:37:20 -2502.275265 1.202112 BFGS: 2247 16:37:20 -2501.772052 1.199594 BFGS: 2248 16:37:20 -2501.268793 1.197096 BFGS: 2249 16:37:20 -2500.765626 1.194617 BFGS: 2250 16:37:20 -2500.262624 1.192159 BFGS: 2251 16:37:20 -2499.759598 1.189723 BFGS: 2252 16:37:20 -2499.256905 1.187305 BFGS: 2253 16:37:20 -2498.754352 1.184909 BFGS: 2254 16:37:20 -2498.251963 1.182533 BFGS: 2255 16:37:20 -2497.749831 1.180177 BFGS: 2256 16:37:20 -2497.247999 1.177840 BFGS: 2257 16:37:20 -2496.746328 1.175524 BFGS: 2258 16:37:20 -2496.244950 1.173227 BFGS: 2259 16:37:20 -2495.743839 1.170950 BFGS: 2260 16:37:20 -2495.243056 1.168691 BFGS: 2261 16:37:20 -2494.744463 1.382914 BFGS: 2262 16:37:20 -2494.110090 1.163165 BFGS: 2263 16:37:20 -2493.639952 1.161184 BFGS: 2264 16:37:20 -2493.168351 1.375122 BFGS: 2265 16:37:20 -2492.547248 1.156045 BFGS: 2266 16:37:20 -2492.088822 1.154189 BFGS: 2267 16:37:20 -2491.626469 1.152322 BFGS: 2268 16:37:21 -2491.161039 1.150450 BFGS: 2269 16:37:21 -2490.693212 1.148580 BFGS: 2270 16:37:21 -2490.223456 1.146714 BFGS: 2271 16:37:21 -2489.752042 1.144855 BFGS: 2272 16:37:21 -2489.279403 1.143006 BFGS: 2273 16:37:21 -2488.805769 1.141167 BFGS: 2274 16:37:21 -2488.331291 1.139341 BFGS: 2275 16:37:21 -2487.856242 1.137527 BFGS: 2276 16:37:21 -2487.381981 1.286499 BFGS: 2277 16:37:21 -2486.792851 1.283599 BFGS: 2278 16:37:21 -2486.222340 1.280867 BFGS: 2279 16:37:21 -2485.663760 1.128153 BFGS: 2280 16:37:21 -2485.202532 1.126521 BFGS: 2281 16:37:21 -2484.739831 1.124896 BFGS: 2282 16:37:21 -2484.275892 1.123281 BFGS: 2283 16:37:21 -2483.812922 1.334658 BFGS: 2284 16:37:21 -2483.220341 1.119112 BFGS: 2285 16:37:21 -2482.766163 1.117606 BFGS: 2286 16:37:21 -2482.310543 1.116111 BFGS: 2287 16:37:21 -2481.853767 1.114627 BFGS: 2288 16:37:21 -2481.396095 1.113155 BFGS: 2289 16:37:21 -2480.937632 1.111695 BFGS: 2290 16:37:21 -2480.478649 1.110249 BFGS: 2291 16:37:21 -2480.019266 1.108815 BFGS: 2292 16:37:21 -2479.559483 1.107398 BFGS: 2293 16:37:21 -2479.099555 1.105994 BFGS: 2294 16:37:21 -2478.639497 1.104606 BFGS: 2295 16:37:21 -2478.179340 1.103235 BFGS: 2296 16:37:21 -2477.719207 1.101879 BFGS: 2297 16:37:21 -2477.259201 1.100538 BFGS: 2298 16:37:21 -2476.799269 1.099216 BFGS: 2299 16:37:21 -2476.339572 1.097908 BFGS: 2300 16:37:22 -2475.880060 1.096619 BFGS: 2301 16:37:22 -2475.420764 1.095346 BFGS: 2302 16:37:22 -2474.961792 1.094090 BFGS: 2303 16:37:22 -2474.503034 1.092852 BFGS: 2304 16:37:22 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0.166863 BFGS: 3136 16:37:50 -2266.133301 0.160067 BFGS: 3137 16:37:50 -2266.083833 0.146195 BFGS: 3138 16:37:50 -2265.999858 0.133632 BFGS: 3139 16:37:50 -2265.949037 0.133901 BFGS: 3140 16:37:50 -2265.888006 0.134077 BFGS: 3141 16:37:50 -2265.815428 0.097133 BFGS: 3142 16:37:50 -2265.791715 0.097037 BFGS: 3143 16:37:50 -2265.740879 0.096872 BFGS: 3144 16:37:50 -2265.679993 0.096635 BFGS: 3145 16:37:50 -2265.612579 0.135625 BFGS: 3146 16:37:50 -2265.525474 0.135243 BFGS: 3147 16:37:50 -2265.429217 0.135249 BFGS: 3148 16:37:50 -2265.328686 0.135417 BFGS: 3149 16:37:50 -2265.224810 0.135664 BFGS: 3150 16:37:50 -2265.118068 0.135944 BFGS: 3151 16:37:50 -2265.008909 0.136235 BFGS: 3152 16:37:50 -2264.897713 0.136531 BFGS: 3153 16:37:50 -2264.784668 0.136825 BFGS: 3154 16:37:50 -2264.669873 0.137114 BFGS: 3155 16:37:50 -2264.553496 0.137398 BFGS: 3156 16:37:50 -2264.435647 0.137677 BFGS: 3157 16:37:50 -2264.316867 0.137957 BFGS: 3158 16:37:50 -2264.196318 0.138215 BFGS: 3159 16:37:50 -2264.074382 0.138471 BFGS: 3160 16:37:50 -2263.951277 0.138723 BFGS: 3161 16:37:50 -2263.826993 0.138969 BFGS: 3162 16:37:51 -2263.701547 0.139205 BFGS: 3163 16:37:51 -2263.575038 0.139435 BFGS: 3164 16:37:51 -2263.447898 0.139682 BFGS: 3165 16:37:51 -2263.319107 0.139882 BFGS: 3166 16:37:51 -2263.189223 0.140078 BFGS: 3167 16:37:51 -2263.058153 0.140268 BFGS: 3168 16:37:51 -2262.925828 0.140446 BFGS: 3169 16:37:51 -2262.792173 0.140612 BFGS: 3170 16:37:51 -2262.657066 0.140764 BFGS: 3171 16:37:51 -2262.520197 0.140898 BFGS: 3172 16:37:51 -2262.381248 0.141010 BFGS: 3173 16:37:51 -2262.239491 0.141093 BFGS: 3174 16:37:51 -2262.093342 0.141128 BFGS: 3175 16:37:51 -2261.950533 0.141071 BFGS: 3176 16:37:51 -2261.907433 0.142357 BFGS: 3177 16:37:51 -2261.931832 0.152732 BFGS: 3178 16:37:51 -2262.004003 0.155189 BFGS: 3179 16:37:51 -2262.114734 0.154805 BFGS: 3180 16:37:51 -2262.157069 0.153278 BFGS: 3181 16:37:51 -2262.116226 0.153682 BFGS: 3182 16:37:51 -2262.117399 0.153397 BFGS: 3183 16:37:51 -2262.157826 0.147440 BFGS: 3184 16:37:51 -2262.204897 0.143712 BFGS: 3185 16:37:51 -2262.346979 0.139301 BFGS: 3186 16:37:51 -2262.485001 0.130748 BFGS: 3187 16:37:51 -2262.388690 0.139293 BFGS: 3188 16:37:51 -2262.403959 0.140217 BFGS: 3189 16:37:52 -2262.514467 0.147469 BFGS: 3190 16:37:52 -2262.459376 0.145911 BFGS: 3191 16:37:52 -2262.469460 0.145178 BFGS: 3192 16:37:52 -2262.481525 0.140720 BFGS: 3193 16:37:52 -2262.608279 0.138319 BFGS: 3194 16:37:52 -2262.740359 0.136445 BFGS: 3195 16:37:52 -2262.877941 0.084688 BFGS: 3196 16:37:52 -2262.990128 0.129602 BFGS: 3197 16:37:52 -2263.038661 0.126580 BFGS: 3198 16:37:52 -2263.017342 0.125997 BFGS: 3199 16:37:52 -2262.939697 0.125338 BFGS: 3200 16:37:52 -2262.882276 0.125202 BFGS: 3201 16:37:52 -2262.756608 0.125037 BFGS: 3202 16:37:52 -2262.625582 0.081312 BFGS: 3203 16:37:52 -2262.301299 0.126123 BFGS: 3204 16:37:52 -2262.181403 0.080038 BFGS: 3205 16:37:52 -2262.112913 0.125864 BFGS: 3206 16:37:52 -2262.067163 0.125404 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BFGS: 3302 16:37:56 -2258.965314 0.304731 BFGS: 3303 16:37:56 -2258.919911 0.305733 BFGS: 3304 16:37:56 -2258.876412 0.306418 BFGS: 3305 16:37:56 -2258.833749 0.305647 BFGS: 3306 16:37:56 -2258.790720 0.305477 BFGS: 3307 16:37:56 -2258.748513 0.303940 BFGS: 3308 16:37:56 -2258.705800 0.303090 BFGS: 3309 16:37:56 -2258.663935 0.300926 BFGS: 3310 16:37:56 -2258.620255 0.299597 BFGS: 3311 16:37:56 -2258.576931 0.298159 BFGS: 3312 16:37:56 -2258.535052 0.296551 BFGS: 3313 16:37:56 -2258.495101 0.293595 BFGS: 3314 16:37:56 -2258.454726 0.290785 BFGS: 3315 16:37:56 -2258.414066 0.288097 BFGS: 3316 16:37:56 -2258.373170 0.285504 BFGS: 3317 16:37:56 -2258.332116 0.282983 BFGS: 3318 16:37:56 -2258.290978 0.280510 BFGS: 3319 16:37:57 -2258.248682 0.278142 BFGS: 3320 16:37:57 -2258.206043 0.276440 BFGS: 3321 16:37:57 -2258.163953 0.273602 BFGS: 3322 16:37:57 -2258.120472 0.271467 BFGS: 3323 16:37:57 -2258.077431 0.269151 BFGS: 3324 16:37:57 -2258.035755 0.266613 BFGS: 3325 16:37:57 -2257.995631 0.262900 BFGS: 3326 16:37:57 -2257.955293 0.259239 BFGS: 3327 16:37:57 -2257.914758 0.255619 BFGS: 3328 16:37:57 -2257.874128 0.252039 BFGS: 3329 16:37:57 -2257.832461 0.248551 BFGS: 3330 16:37:57 -2257.790429 0.245694 BFGS: 3331 16:37:57 -2257.748942 0.241790 BFGS: 3332 16:37:57 -2257.706075 0.238554 BFGS: 3333 16:37:57 -2257.664459 0.235086 BFGS: 3334 16:37:57 -2257.624328 0.230518 BFGS: 3335 16:37:57 -2257.583136 0.226037 BFGS: 3336 16:37:57 -2257.541458 0.222179 BFGS: 3337 16:37:57 -2257.501272 0.217238 BFGS: 3338 16:37:57 -2257.460024 0.212381 BFGS: 3339 16:37:57 -2257.417352 0.208229 BFGS: 3340 16:37:57 -2257.374967 0.203933 BFGS: 3341 16:37:57 -2257.332852 0.199517 BFGS: 3342 16:37:57 -2257.290908 0.194985 BFGS: 3343 16:37:57 -2257.249173 0.190354 BFGS: 3344 16:37:57 -2257.207577 0.185639 BFGS: 3345 16:37:58 -2257.166074 0.180845 BFGS: 3346 16:37:58 -2257.124708 0.175983 BFGS: 3347 16:37:58 -2257.083413 0.171061 BFGS: 3348 16:37:58 -2257.042189 0.166085 BFGS: 3349 16:37:58 -2257.001032 0.161051 BFGS: 3350 16:37:58 -2256.959950 0.155972 BFGS: 3351 16:37:58 -2256.918904 0.150844 BFGS: 3352 16:37:58 -2256.877890 0.145671 BFGS: 3353 16:37:58 -2256.836924 0.140459 BFGS: 3354 16:37:58 -2256.795977 0.135204 BFGS: 3355 16:37:58 -2256.755079 0.129907 BFGS: 3356 16:37:58 -2256.714194 0.124576 BFGS: 3357 16:37:58 -2256.673326 0.119204 BFGS: 3358 16:37:58 -2256.632488 0.113792 BFGS: 3359 16:37:58 -2256.591666 0.108348 BFGS: 3360 16:37:58 -2256.550847 0.102862 BFGS: 3361 16:37:58 -2256.510036 0.097343 BFGS: 3362 16:37:58 -2256.469251 0.091790 BFGS: 3363 16:37:58 -2256.428475 0.086200 BFGS: 3364 16:37:58 -2256.387684 0.080577 BFGS: 3365 16:37:58 -2256.346917 0.074919 BFGS: 3366 16:37:58 -2256.306129 0.069223 BFGS: 3367 16:37:58 -2256.265316 0.063501 BFGS: 3368 16:37:58 -2256.224525 0.059388 BFGS: 3369 16:37:58 -2256.183748 0.059943 BFGS: 3370 16:37:58 -2256.142959 0.060501 BFGS: 3371 16:37:58 -2256.102168 0.061061 BFGS: 3372 16:37:58 -2256.061335 0.061624 BFGS: 3373 16:37:59 -2256.020508 0.062189 BFGS: 3374 16:37:59 -2255.979661 0.062756 BFGS: 3375 16:37:59 -2255.938780 0.063326 BFGS: 3376 16:37:59 -2255.897890 0.063898 BFGS: 3377 16:37:59 -2255.857009 0.064472 BFGS: 3378 16:37:59 -2255.816066 0.065048 BFGS: 3379 16:37:59 -2255.775105 0.065626 BFGS: 3380 16:37:59 -2255.734118 0.066205 BFGS: 3381 16:37:59 -2255.693099 0.066786 BFGS: 3382 16:37:59 -2255.651999 0.067366 BFGS: 3383 16:37:59 -2255.647987 0.067419 BFGS: 3384 16:37:59 -2255.631641 0.067618 BFGS: 3385 16:37:59 -2255.619934 0.067742 BFGS: 3386 16:37:59 -2255.593219 0.067985 BFGS: 3387 16:37:59 -2255.562071 0.068215 BFGS: 3388 16:37:59 -2255.525353 0.068418 BFGS: 3389 16:37:59 -2255.496120 0.068537 BFGS: 3390 16:37:59 -2255.478941 0.068659 BFGS: 3391 16:37:59 -2255.468501 0.068956 BFGS: 3392 16:37:59 -2255.452676 0.069499 BFGS: 3393 16:37:59 -2255.430453 0.070044 BFGS: 3394 16:37:59 -2255.414415 0.070313 BFGS: 3395 16:37:59 -2255.408443 0.070372 BFGS: 3396 16:37:59 -2255.406239 0.070381 BFGS: 3397 16:37:59 -2255.404481 0.070376 BFGS: 3398 16:37:59 -2255.404555 0.070358 BFGS: 3399 16:38:00 -2255.406112 0.070335 BFGS: 3400 16:38:00 -2255.407594 0.070322 BFGS: 3401 16:38:00 -2255.408799 0.070315 BFGS: 3402 16:38:00 -2255.409431 0.070313 BFGS: 3403 16:38:00 -2255.409953 0.070313 BFGS: 3404 16:38:00 -2255.410024 0.070313 BFGS: 3405 16:38:00 -2255.410160 0.070317 BFGS: 3406 16:38:00 -2255.410158 0.070319 BFGS: 3407 16:38:00 -2255.410062 0.070326 BFGS: 3408 16:38:00 -2255.409853 0.070334 BFGS: 3409 16:38:00 -2255.409407 0.070348 BFGS: 3410 16:38:00 -2255.408624 0.070370 BFGS: 3411 16:38:00 -2255.407185 0.070405 BFGS: 3412 16:38:00 -2255.404572 0.070458 BFGS: 3413 16:38:00 -2255.399625 0.070540 BFGS: 3414 16:38:00 -2255.389870 0.070662 BFGS: 3415 16:38:00 -2255.369504 0.070834 BFGS: 3416 16:38:00 -2255.324730 0.071049 BFGS: 3417 16:38:00 -2255.221663 0.071234 BFGS: 3418 16:38:00 -2255.022481 0.071138 BFGS: 3419 16:38:00 -2254.771283 0.070636 BFGS: 3420 16:38:00 -2254.472099 0.069762 BFGS: 3421 16:38:00 -2254.130318 0.068565 BFGS: 3422 16:38:00 -2253.750688 0.067082 BFGS: 3423 16:38:00 -2253.336468 0.065340 BFGS: 3424 16:38:00 -2252.890127 0.063360 BFGS: 3425 16:38:01 -2252.413632 0.061161 BFGS: 3426 16:38:01 -2251.907826 0.058749 BFGS: 3427 16:38:01 -2251.374433 0.056136 BFGS: 3428 16:38:01 -2250.813865 0.053328 BFGS: 3429 16:38:01 -2250.229889 0.050350 BFGS: 3430 16:38:01 -2249.668447 0.047440 BFGS: 3431 16:38:01 -2249.124730 0.045688 BFGS: 3432 16:38:01 -2248.596585 0.043919 BFGS: 3433 16:38:01 -2248.081095 0.041937 BFGS: 3434 16:38:01 -2247.576547 0.039785 BFGS: 3435 16:38:01 -2247.080836 0.037483 BFGS: 3436 16:38:01 -2246.592768 0.035051 BFGS: 3437 16:38:01 -2246.111410 0.032520 BFGS: 3438 16:38:01 -2245.635743 0.029899 BFGS: 3439 16:38:01 -2245.165035 0.027197 BFGS: 3440 16:38:01 -2244.698814 0.024430 BFGS: 3441 16:38:01 -2244.236447 0.021607 BFGS: 3442 16:38:01 -2243.777331 0.018727 BFGS: 3443 16:38:01 -2243.321449 0.015803 BFGS: 3444 16:38:01 -2242.868394 0.012835 BFGS: 3445 16:38:01 -2242.417865 0.009819 BFGS: 3446 16:38:01 -2241.970752 0.006769 BFGS: 3447 16:38:01 -2241.526756 0.003672 BFGS: 3448 16:38:01 -2241.087212 0.000498 BFGS: 3449 16:38:01 -2241.062395 0.000235 BFGS: 3450 16:38:02 -2241.063140 0.000156 BFGS: 3451 16:38:02 -2241.072650 0.000018 BFGS: 3452 16:38:02 -2241.075555 0.000004 BFGS: 3453 16:38:02 -2241.076130 0.000001 BFGS: 3454 16:38:02 -2241.076141 0.000000 BFGS: 3455 16:38:02 -2241.076152 0.000000 BFGS: 3456 16:38:02 -2241.076135 0.000000 BFGS: 3457 16:38:02 -2241.076125 0.000000 BFGS: 3458 16:38:02 -2241.076131 0.000000 BFGS: 3459 16:38:02 -2241.076145 0.000000 BFGS: 3460 16:38:02 -2241.076138 0.000000 BFGS: 3461 16:38:02 -2241.076118 0.000000 BFGS: 3462 16:38:02 -2241.076132 0.000000 BFGS: 3463 16:38:02 -2241.076144 0.000000 BFGS: 3464 16:38:02 -2241.076135 0.000000 BFGS: 3465 16:38:02 -2241.076129 0.000000 BFGS: 3466 16:38:02 -2241.076134 0.000000 BFGS: 3467 16:38:02 -2241.076146 0.000000 BFGS: 3468 16:38:02 -2241.076137 0.000000 BFGS: 3469 16:38:02 -2241.076129 0.000000 BFGS: 3470 16:38:02 -2241.076134 0.000000 BFGS: 3471 16:38:02 -2241.076141 0.000000 BFGS: 3472 16:38:02 -2241.076136 0.000000 BFGS: 3473 16:38:02 -2241.076134 0.000000 BFGS: 3474 16:38:02 -2241.076135 0.000000 BFGS: 3475 16:38:02 -2241.076137 0.000000 BFGS: 3476 16:38:03 -2241.076136 0.000000 BFGS: 3477 16:38:03 -2241.076135 0.000000 BFGS: 3478 16:38:03 -2241.076136 0.000000 BFGS: 3479 16:38:03 -2241.076136 0.000000 BFGS: 3480 16:38:03 -2241.076135 0.000000 BFGS: 3481 16:38:03 -2241.076132 0.000000 BFGS: 3482 16:38:03 -2241.076134 0.000000 BFGS: 3483 16:38:03 -2241.076136 0.000000 BFGS: 3484 16:38:03 -2241.076135 0.000000 BFGS: 3485 16:38:03 -2241.076134 0.000000 BFGS: 3486 16:38:03 -2241.076135 0.000000 BFGS: 3487 16:38:03 -2241.076136 0.000000 BFGS: 3488 16:38:03 -2241.076136 0.000000 BFGS: 3489 16:38:03 -2241.076137 0.000000 BFGS: 3490 16:38:03 -2241.076136 0.000000 BFGS: 3491 16:38:03 -2241.076131 0.000001 BFGS: 3492 16:38:03 -2241.076134 0.000000 BFGS: 3493 16:38:03 -2241.076137 0.000000 BFGS: 3494 16:38:03 -2241.076135 0.000000 BFGS: 3495 16:38:03 -2241.076134 0.000000 BFGS: 3496 16:38:03 -2241.076135 0.000000 BFGS: 3497 16:38:03 -2241.076142 0.000001 BFGS: 3498 16:38:03 -2241.076137 0.000000 BFGS: 3499 16:38:03 -2241.076133 0.000000 BFGS: 3500 16:38:03 -2241.076136 0.000000 BFGS: 3501 16:38:04 -2241.076142 0.000001 BFGS: 3502 16:38:04 -2241.076137 0.000000 BFGS: 3503 16:38:04 -2241.076129 0.000000 BFGS: 3504 16:38:04 -2241.076134 0.000000 BFGS: 3505 16:38:04 -2241.076144 0.000001 BFGS: 3506 16:38:04 -2241.076136 0.000000 BFGS: 3507 16:38:04 -2241.076131 0.000000 BFGS: 3508 16:38:04 -2241.076136 0.000000 BFGS: 3509 16:38:04 -2241.076149 0.000001 BFGS: 3510 16:38:04 -2241.076137 0.000000 BFGS: 3511 16:38:04 -2241.076132 0.000000 BFGS: 3512 16:38:04 -2241.076135 0.000000 BFGS: 3513 16:38:04 -2241.076149 0.000001 BFGS: 3514 16:38:04 -2241.076137 0.000000 BFGS: 3515 16:38:04 -2241.076133 0.000000 BFGS: 3516 16:38:04 -2241.076136 0.000000 BFGS: 3517 16:38:04 -2241.076146 0.000001 BFGS: 3518 16:38:04 -2241.076137 0.000000 BFGS: 3519 16:38:04 -2241.076133 0.000000 BFGS: 3520 16:38:04 -2241.076136 0.000000 BFGS: 3521 16:38:04 -2241.076147 0.000001 BFGS: 3522 16:38:04 -2241.076137 0.000000 BFGS: 3523 16:38:04 -2241.076133 0.000000 BFGS: 3524 16:38:04 -2241.076136 0.000000 BFGS: 3525 16:38:04 -2241.076150 0.000001 BFGS: 3526 16:38:04 -2241.076138 0.000000 BFGS: 3527 16:38:05 -2241.076134 0.000000 BFGS: 3528 16:38:05 -2241.076136 0.000000 BFGS: 3529 16:38:05 -2241.076143 0.000000 BFGS: 3530 16:38:05 -2241.076138 0.000000 BFGS: 3531 16:38:05 -2241.076129 0.000001 BFGS: 3532 16:38:05 -2241.076135 0.000000 BFGS: 3533 16:38:05 -2241.076140 0.000000 BFGS: 3534 16:38:05 -2241.076137 0.000000 BFGS: 3535 16:38:05 -2241.076127 0.000001 BFGS: 3536 16:38:05 -2241.076135 0.000000 BFGS: 3537 16:38:05 -2241.076138 0.000000 BFGS: 3538 16:38:05 -2241.076136 0.000000 BFGS: 3539 16:38:05 -2241.076130 0.000000 BFGS: 3540 16:38:05 -2241.076134 0.000000 BFGS: 3541 16:38:05 -2241.076141 0.000000 BFGS: 3542 16:38:05 -2241.076136 0.000000 BFGS: 3543 16:38:05 -2241.076123 0.000001 BFGS: 3544 16:38:05 -2241.076134 0.000000 BFGS: 3545 16:38:05 -2241.076138 0.000000 BFGS: 3546 16:38:05 -2241.076135 0.000000 BFGS: 3547 16:38:05 -2241.076134 0.000000 BFGS: 3548 16:38:05 -2241.076135 0.000000 BFGS: 3549 16:38:05 -2241.076145 0.000000 BFGS: 3550 16:38:05 -2241.076138 0.000000 BFGS: 3551 16:38:05 -2241.076135 0.000000 BFGS: 3552 16:38:05 -2241.076137 0.000000 BFGS: 3553 16:38:06 -2241.076145 0.000001 BFGS: 3554 16:38:06 -2241.076137 0.000000 BFGS: 3555 16:38:06 -2241.076131 0.000000 BFGS: 3556 16:38:06 -2241.076134 0.000000 BFGS: 3557 16:38:06 -2241.076147 0.000001 BFGS: 3558 16:38:06 -2241.076137 0.000000 BFGS: 3559 16:38:06 -2241.076132 0.000000 BFGS: 3560 16:38:06 -2241.076135 0.000000 BFGS: 3561 16:38:06 -2241.076156 0.000001 BFGS: 3562 16:38:06 -2241.076137 0.000000 BFGS: 3563 16:38:06 -2241.076132 0.000000 BFGS: 3564 16:38:06 -2241.076136 0.000000 BFGS: 3565 16:38:06 -2241.076138 0.000000 BFGS: 3566 16:38:06 -2241.076136 0.000000 BFGS: 3567 16:38:06 -2241.076133 0.000000 BFGS: 3568 16:38:06 -2241.076135 0.000000 BFGS: 3569 16:38:06 -2241.076142 0.000001 BFGS: 3570 16:38:06 -2241.076137 0.000000 BFGS: 3571 16:38:06 -2241.076130 0.000000 BFGS: 3572 16:38:06 -2241.076134 0.000000 BFGS: 3573 16:38:06 -2241.076141 0.000000 BFGS: 3574 16:38:06 -2241.076135 0.000000 BFGS: 3575 16:38:06 -2241.076129 0.000000 BFGS: 3576 16:38:06 -2241.076134 0.000000 BFGS: 3577 16:38:06 -2241.076141 0.000000 BFGS: 3578 16:38:06 -2241.076136 0.000000 BFGS: 3579 16:38:07 -2241.076131 0.000000 BFGS: 3580 16:38:07 -2241.076135 0.000000 BFGS: 3581 16:38:07 -2241.076142 0.000001 BFGS: 3582 16:38:07 -2241.076136 0.000000 BFGS: 3583 16:38:07 -2241.076131 0.000000 BFGS: 3584 16:38:07 -2241.076134 0.000000 BFGS: 3585 16:38:07 -2241.076144 0.000001 BFGS: 3586 16:38:07 -2241.076136 0.000000 BFGS: 3587 16:38:07 -2241.076131 0.000000 BFGS: 3588 16:38:07 -2241.076135 0.000000 BFGS: 3589 16:38:07 -2241.076153 0.000001 BFGS: 3590 16:38:07 -2241.076137 0.000000 BFGS: 3591 16:38:07 -2241.076133 0.000000 BFGS: 3592 16:38:07 -2241.076135 0.000000 BFGS: 3593 16:38:07 -2241.076155 0.000001 BFGS: 3594 16:38:07 -2241.076138 0.000000 BFGS: 3595 16:38:07 -2241.076132 0.000000 BFGS: 3596 16:38:07 -2241.076136 0.000000 BFGS: 3597 16:38:07 -2241.076144 0.000001 BFGS: 3598 16:38:07 -2241.076137 0.000000 BFGS: 3599 16:38:07 -2241.076134 0.000000 BFGS: 3600 16:38:07 -2241.076136 0.000000 BFGS: 3601 16:38:07 -2241.076152 0.000001 BFGS: 3602 16:38:07 -2241.076137 0.000000 BFGS: 3603 16:38:07 -2241.076133 0.000000 BFGS: 3604 16:38:07 -2241.076135 0.000000 BFGS: 3605 16:38:08 -2241.076145 0.000001 BFGS: 3606 16:38:08 -2241.076138 0.000000 BFGS: 3607 16:38:08 -2241.076134 0.000000 BFGS: 3608 16:38:08 -2241.076136 0.000000 BFGS: 3609 16:38:08 -2241.076145 0.000001 BFGS: 3610 16:38:08 -2241.076138 0.000000 BFGS: 3611 16:38:08 -2241.076132 0.000000 BFGS: 3612 16:38:08 -2241.076136 0.000000 BFGS: 3613 16:38:08 -2241.076144 0.000001 BFGS: 3614 16:38:08 -2241.076138 0.000000 BFGS: 3615 16:38:08 -2241.076133 0.000000 BFGS: 3616 16:38:08 -2241.076136 0.000000 BFGS: 3617 16:38:08 -2241.076146 0.000001 BFGS: 3618 16:38:08 -2241.076137 0.000000 BFGS: 3619 16:38:08 -2241.076131 0.000000 BFGS: 3620 16:38:08 -2241.076135 0.000000 BFGS: 3621 16:38:08 -2241.076144 0.000001 BFGS: 3622 16:38:08 -2241.076137 0.000000 BFGS: 3623 16:38:08 -2241.076133 0.000000 BFGS: 3624 16:38:08 -2241.076136 0.000000 BFGS: 3625 16:38:08 -2241.076142 0.000000 BFGS: 3626 16:38:08 -2241.076137 0.000000 BFGS: 3627 16:38:08 -2241.076130 0.000000 BFGS: 3628 16:38:08 -2241.076134 0.000000 BFGS: 3629 16:38:08 -2241.076141 0.000000 BFGS: 3630 16:38:08 -2241.076135 0.000000 BFGS: 3631 16:38:09 -2241.076130 0.000000 BFGS: 3632 16:38:09 -2241.076134 0.000000 BFGS: 3633 16:38:09 -2241.076146 0.000001 BFGS: 3634 16:38:09 -2241.076136 0.000000 BFGS: 3635 16:38:09 -2241.076131 0.000000 BFGS: 3636 16:38:09 -2241.076134 0.000000 BFGS: 3637 16:38:09 -2241.076149 0.000001 BFGS: 3638 16:38:09 -2241.076137 0.000000 BFGS: 3639 16:38:09 -2241.076132 0.000000 BFGS: 3640 16:38:09 -2241.076135 0.000000 BFGS: 3641 16:38:09 -2241.076147 0.000001 BFGS: 3642 16:38:09 -2241.076137 0.000000 BFGS: 3643 16:38:09 -2241.076132 0.000000 BFGS: 3644 16:38:09 -2241.076135 0.000000 BFGS: 3645 16:38:09 -2241.076144 0.000001 BFGS: 3646 16:38:09 -2241.076137 0.000000 BFGS: 3647 16:38:09 -2241.076132 0.000000 BFGS: 3648 16:38:09 -2241.076135 0.000000 BFGS: 3649 16:38:09 -2241.076146 0.000001 BFGS: 3650 16:38:09 -2241.076137 0.000000 BFGS: 3651 16:38:09 -2241.076133 0.000000 BFGS: 3652 16:38:09 -2241.076135 0.000000 BFGS: 3653 16:38:09 -2241.076139 0.000000 BFGS: 3654 16:38:09 -2241.076136 0.000000 BFGS: 3655 16:38:09 -2241.076113 0.000001 BFGS: 3656 16:38:09 -2241.076135 0.000000 BFGS: 3657 16:38:10 -2241.076136 0.000000 BFGS: 3658 16:38:10 -2241.076135 0.000000 BFGS: 3659 16:38:10 -2241.076136 0.000000 BFGS: 3660 16:38:10 -2241.076136 0.000000 BFGS: 3661 16:38:10 -2241.076135 0.000000 BFGS: 3662 16:38:10 -2241.076137 0.000000 Minimization stalled after 3662 steps. Maximum force component: 7.901512546289092e-08 eV/Angstrom Maximum stress component: 2.765083085916534e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 1.13685756e-31] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 2.13680169e-01 7.48397298e-01] [4.32341601e-32 7.86319831e-01 7.48397298e-01] [2.86319831e-01 5.00000000e-01 2.48397298e-01] [7.13680169e-01 5.00000000e-01 2.48397298e-01] [5.00000000e-01 7.13680169e-01 7.51602702e-01] [5.00000000e-01 2.86319831e-01 7.51602702e-01] [2.13680169e-01 1.30809142e-31 2.51602702e-01] [7.86319831e-01 6.84781792e-32 2.51602702e-01] [0.00000000e+00 1.10765331e-01 2.02331165e-01] [0.00000000e+00 8.89234669e-01 2.02331165e-01] [3.89234669e-01 5.00000000e-01 7.02331165e-01] [6.10765331e-01 5.00000000e-01 7.02331165e-01] [5.00000000e-01 6.10765331e-01 2.97668835e-01] [5.00000000e-01 3.89234669e-01 2.97668835e-01] [1.10765331e-01 3.05552799e-32 7.97668835e-01] [8.89234669e-01 0.00000000e+00 7.97668835e-01] [0.00000000e+00 4.02392185e-01 8.78682985e-01] [0.00000000e+00 5.97607815e-01 8.78682985e-01] [9.76078147e-02 5.00000000e-01 3.78682985e-01] [9.02392185e-01 5.00000000e-01 3.78682985e-01] [5.00000000e-01 9.02392185e-01 6.21317015e-01] [5.00000000e-01 9.76078147e-02 6.21317015e-01] [4.02392185e-01 1.35118220e-31 1.21317015e-01] [5.97607815e-01 0.00000000e+00 1.21317015e-01] [0.00000000e+00 4.00031448e-01 6.53930173e-01] [0.00000000e+00 5.99968552e-01 6.53930173e-01] [9.99685525e-02 5.00000000e-01 1.53930173e-01] [9.00031448e-01 5.00000000e-01 1.53930173e-01] [5.00000000e-01 9.00031448e-01 8.46069827e-01] [5.00000000e-01 9.99685525e-02 8.46069827e-01] [4.00031448e-01 8.34394183e-32 3.46069827e-01] [5.99968552e-01 1.18574977e-32 3.46069827e-01] [3.42896918e-32 2.89283942e-01 6.98398373e-02] [8.47823651e-32 7.10716058e-01 6.98398373e-02] [2.10716058e-01 5.00000000e-01 5.69839837e-01] [7.89283942e-01 5.00000000e-01 5.69839837e-01] [5.00000000e-01 7.89283942e-01 4.30160163e-01] [5.00000000e-01 2.10716058e-01 4.30160163e-01] [2.89283942e-01 0.00000000e+00 9.30160163e-01] [7.10716058e-01 1.06973613e-33 9.30160163e-01] [3.09014824e-01 3.52842856e-01 4.04047758e-01] [6.90985176e-01 6.47157144e-01 4.04047758e-01] [1.47157144e-01 8.09014824e-01 9.04047758e-01] [8.52842856e-01 1.90985176e-01 9.04047758e-01] [1.90985176e-01 8.52842856e-01 9.59522419e-02] [8.09014824e-01 1.47157144e-01 9.59522419e-02] [3.52842856e-01 3.09014824e-01 5.95952242e-01] [6.47157144e-01 6.90985176e-01 5.95952242e-01] [1.90985176e-01 1.47157144e-01 9.59522419e-02] [8.09014824e-01 8.52842856e-01 9.59522419e-02] [3.52842856e-01 6.90985176e-01 5.95952242e-01] [6.47157144e-01 3.09014824e-01 5.95952242e-01] [3.09014824e-01 6.47157144e-01 4.04047758e-01] [6.90985176e-01 3.52842856e-01 4.04047758e-01] [1.47157144e-01 1.90985176e-01 9.04047758e-01] [8.52842856e-01 8.09014824e-01 9.04047758e-01] [1.16603540e-01 1.10335852e-01 6.04184135e-01] [8.83396460e-01 8.89664148e-01 6.04184135e-01] [3.89664148e-01 6.16603540e-01 1.04184135e-01] [6.10335852e-01 3.83396460e-01 1.04184135e-01] [3.83396460e-01 6.10335852e-01 8.95815865e-01] [6.16603540e-01 3.89664148e-01 8.95815865e-01] [1.10335852e-01 1.16603540e-01 3.95815865e-01] [8.89664148e-01 8.83396460e-01 3.95815865e-01] [3.83396460e-01 3.89664148e-01 8.95815865e-01] [6.16603540e-01 6.10335852e-01 8.95815865e-01] [1.10335852e-01 8.83396460e-01 3.95815865e-01] [8.89664148e-01 1.16603540e-01 3.95815865e-01] [1.16603540e-01 8.89664148e-01 6.04184135e-01] [8.83396460e-01 1.10335852e-01 6.04184135e-01] [3.89664148e-01 3.83396460e-01 1.04184135e-01] [6.10335852e-01 6.16603540e-01 1.04184135e-01] [2.98071491e-01 1.32233991e-01 7.37102459e-01] [7.01928509e-01 8.67766009e-01 7.37102459e-01] [3.67766009e-01 7.98071491e-01 2.37102459e-01] [6.32233991e-01 2.01928509e-01 2.37102459e-01] [2.01928509e-01 6.32233991e-01 7.62897541e-01] [7.98071491e-01 3.67766009e-01 7.62897541e-01] [1.32233991e-01 2.98071491e-01 2.62897541e-01] [8.67766009e-01 7.01928509e-01 2.62897541e-01] [2.01928509e-01 3.67766009e-01 7.62897541e-01] [7.98071491e-01 6.32233991e-01 7.62897541e-01] [1.32233991e-01 7.01928509e-01 2.62897541e-01] [8.67766009e-01 2.98071491e-01 2.62897541e-01] [2.98071491e-01 8.67766009e-01 7.37102459e-01] [7.01928509e-01 1.32233991e-01 7.37102459e-01] [3.67766009e-01 2.01928509e-01 2.37102459e-01] [6.32233991e-01 7.98071491e-01 2.37102459e-01] [1.10548916e-01 3.06315625e-01 4.96977867e-01] [8.89451084e-01 6.93684375e-01 4.96977867e-01] [1.93684375e-01 6.10548916e-01 9.96977867e-01] [8.06315625e-01 3.89451084e-01 9.96977867e-01] [3.89451084e-01 8.06315625e-01 3.02213290e-03] [6.10548916e-01 1.93684375e-01 3.02213290e-03] [3.06315625e-01 1.10548916e-01 5.03022133e-01] [6.93684375e-01 8.89451084e-01 5.03022133e-01] [3.89451084e-01 1.93684375e-01 3.02213290e-03] [6.10548916e-01 8.06315625e-01 3.02213290e-03] [3.06315625e-01 8.89451084e-01 5.03022133e-01] [6.93684375e-01 1.10548916e-01 5.03022133e-01] [1.10548916e-01 6.93684375e-01 4.96977867e-01] [8.89451084e-01 3.06315625e-01 4.96977867e-01] [1.93684375e-01 3.89451084e-01 9.96977867e-01] [8.06315625e-01 6.10548916e-01 9.96977867e-01]] cellpar = Cell([[25.565374850629112, 3.419463134553122e-36, -3.7909644372660455e-38], [2.0397422760321447e-36, 25.565374850629116, -3.0067474760085743e-19], [-1.0946059066886527e-39, 9.866185914136817e-18, 28.456179497047305]]) forces = [[-1.26047030e-30 -1.68592549e-67 1.86908977e-69] [-2.69841190e-71 2.43220261e-49 7.01498985e-31] [-6.30235148e-31 2.07602628e-08 1.02840181e-08] [ 1.26047030e-30 -2.07602628e-08 1.02840181e-08] [-2.07602628e-08 3.56436345e-27 1.02840181e-08] [ 2.07602628e-08 3.56688439e-27 1.02840181e-08] [-1.26047030e-30 2.07602628e-08 -1.02840181e-08] [ 1.26047030e-30 -2.07602628e-08 -1.02840181e-08] [ 2.07602628e-08 -3.56499368e-27 -1.02840181e-08] [-2.07602628e-08 -3.56625415e-27 -1.02840181e-08] [ 1.26047030e-30 -6.72935086e-09 -3.82973872e-08] [ 1.26047030e-30 6.72935086e-09 -3.82973872e-08] [ 6.72935086e-09 -1.32776506e-26 -3.82973872e-08] [-6.72935086e-09 -1.32789110e-26 -3.82973872e-08] [-5.04188119e-30 -6.72935086e-09 3.82973872e-08] [ 5.35430425e-46 6.72935086e-09 3.82973872e-08] [-6.72935086e-09 1.32770203e-26 3.82973872e-08] [ 6.72935086e-09 1.32795413e-26 3.82973872e-08] [ 1.26047030e-30 -7.90151255e-08 -5.55744077e-09] [-3.15117574e-30 7.90151255e-08 -5.55744077e-09] [ 7.90151255e-08 -1.92747863e-27 -5.55744077e-09] [-7.90151255e-08 -1.92621816e-27 -5.55744077e-09] [-6.30446289e-45 -7.90151255e-08 5.55744077e-09] [-2.52094059e-30 7.90151255e-08 5.55744077e-09] [-7.90151255e-08 1.92810887e-27 5.55744077e-09] [ 7.90151255e-08 1.92558793e-27 5.55744077e-09] [-3.15117574e-31 2.16265521e-08 4.01331497e-08] [-1.57558787e-31 -2.16265521e-08 4.01331497e-08] [-2.16265521e-08 1.39147673e-26 4.01331497e-08] [ 2.16265521e-08 1.39147673e-26 4.01331497e-08] [ 1.72702572e-45 2.16265521e-08 -4.01331497e-08] [-1.72393817e-45 -2.16265521e-08 -4.01331497e-08] [ 2.16265521e-08 -1.39146885e-26 -4.01331497e-08] [-2.16265521e-08 -1.39147673e-26 -4.01331497e-08] [-2.87549191e-45 -3.60617773e-08 -4.44404124e-08] [-3.78141089e-30 3.60617773e-08 -4.44404124e-08] [ 3.60617773e-08 -1.54094206e-26 -4.44404124e-08] [-3.60617773e-08 -1.54056392e-26 -4.44404124e-08] [ 5.04188119e-30 -3.60617773e-08 4.44404124e-08] [ 2.87549191e-45 3.60617773e-08 4.44404124e-08] [-3.60617773e-08 1.54081601e-26 4.44404124e-08] [ 3.60617773e-08 1.54081601e-26 4.44404124e-08] [-5.78773662e-09 -1.15768177e-08 -6.29552967e-09] [ 5.78773662e-09 1.15768177e-08 -6.29552967e-09] [ 1.15768177e-08 -5.78773662e-09 -6.29552967e-09] [-1.15768177e-08 5.78773662e-09 -6.29552967e-09] [ 5.78773662e-09 -1.15768177e-08 6.29552967e-09] [-5.78773662e-09 1.15768177e-08 6.29552967e-09] [-1.15768177e-08 -5.78773662e-09 6.29552967e-09] [ 1.15768177e-08 5.78773662e-09 6.29552967e-09] [ 5.78773662e-09 1.15768177e-08 6.29552967e-09] [-5.78773662e-09 -1.15768177e-08 6.29552967e-09] [-1.15768177e-08 5.78773662e-09 6.29552967e-09] [ 1.15768177e-08 -5.78773662e-09 6.29552967e-09] [-5.78773662e-09 1.15768177e-08 -6.29552967e-09] [ 5.78773662e-09 -1.15768177e-08 -6.29552967e-09] [ 1.15768177e-08 5.78773662e-09 -6.29552967e-09] [-1.15768177e-08 -5.78773662e-09 -6.29552967e-09] [ 2.16588538e-08 -2.33784956e-09 -1.51171028e-08] [-2.16588538e-08 2.33784956e-09 -1.51171028e-08] [ 2.33784956e-09 2.16588538e-08 -1.51171028e-08] [-2.33784956e-09 -2.16588538e-08 -1.51171028e-08] [-2.16588538e-08 -2.33784956e-09 1.51171028e-08] [ 2.16588538e-08 2.33784956e-09 1.51171028e-08] [-2.33784956e-09 2.16588538e-08 1.51171028e-08] [ 2.33784956e-09 -2.16588538e-08 1.51171028e-08] [-2.16588538e-08 2.33784956e-09 1.51171028e-08] [ 2.16588538e-08 -2.33784956e-09 1.51171028e-08] [-2.33784956e-09 -2.16588538e-08 1.51171028e-08] [ 2.33784956e-09 2.16588538e-08 1.51171028e-08] [ 2.16588538e-08 2.33784956e-09 -1.51171028e-08] [-2.16588538e-08 -2.33784956e-09 -1.51171028e-08] [ 2.33784956e-09 -2.16588538e-08 -1.51171028e-08] [-2.33784956e-09 2.16588538e-08 -1.51171028e-08] [-1.08539060e-08 -6.59191567e-09 9.22996844e-09] [ 1.08539060e-08 6.59191567e-09 9.22996844e-09] [ 6.59191567e-09 -1.08539060e-08 9.22996844e-09] [-6.59191567e-09 1.08539060e-08 9.22996844e-09] [ 1.08539060e-08 -6.59191567e-09 -9.22996844e-09] [-1.08539060e-08 6.59191567e-09 -9.22996844e-09] [-6.59191567e-09 -1.08539060e-08 -9.22996844e-09] [ 6.59191567e-09 1.08539060e-08 -9.22996844e-09] [ 1.08539060e-08 6.59191567e-09 -9.22996844e-09] [-1.08539060e-08 -6.59191567e-09 -9.22996844e-09] [-6.59191567e-09 1.08539060e-08 -9.22996844e-09] [ 6.59191567e-09 -1.08539060e-08 -9.22996844e-09] [-1.08539060e-08 6.59191567e-09 9.22996844e-09] [ 1.08539060e-08 -6.59191567e-09 9.22996844e-09] [ 6.59191567e-09 1.08539060e-08 9.22996844e-09] [-6.59191567e-09 -1.08539060e-08 9.22996844e-09] [ 3.16617970e-08 6.04589078e-09 -1.41057179e-08] [-3.16617970e-08 -6.04589078e-09 -1.41057179e-08] [-6.04589078e-09 3.16617970e-08 -1.41057179e-08] [ 6.04589078e-09 -3.16617970e-08 -1.41057179e-08] [-3.16617970e-08 6.04589078e-09 1.41057179e-08] [ 3.16617970e-08 -6.04589078e-09 1.41057179e-08] [ 6.04589078e-09 3.16617970e-08 1.41057179e-08] [-6.04589078e-09 -3.16617970e-08 1.41057179e-08] [-3.16617970e-08 -6.04589078e-09 1.41057179e-08] [ 3.16617970e-08 6.04589078e-09 1.41057179e-08] [ 6.04589078e-09 -3.16617970e-08 1.41057179e-08] [-6.04589078e-09 3.16617970e-08 1.41057179e-08] [ 3.16617970e-08 -6.04589078e-09 -1.41057179e-08] [-3.16617970e-08 6.04589078e-09 -1.41057179e-08] [-6.04589078e-09 -3.16617970e-08 -1.41057179e-08] [ 6.04589078e-09 3.16617970e-08 -1.41057179e-08]] stress = [1.13810020e-10 1.13810020e-10 2.76508309e-10 9.05376519e-28 6.77722173e-35 1.97328744e-52] energy per atom = -21.142227703421817 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0