element(s): ['B', 'H', 'O'] AFLOW prototype label: ABC2_mP48_14_3e_3e_6e Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1148', '0.82570095', '0.90033416', '137.5515', '0.37380759', '0.93783322', '0.21735878', '0.30022693', '0.20678847', '0.23095566', '0.41429831', '0.1959551', '0.076498711', '0.97651542', '0.87534533', '0.69140069', '0.92953285', '0.99103142', '0.77744069', '0.45710991', '0.04939233', '0.8388391', '0.2988642', '0.043128613', '0.25941587', '0.27690321', '0.25722087', '0.069483449', '0.4605042', '0.015921557', '0.16248891', '0.39916019', '0.78110055', '0.26581945', '0.039699559', '0.95058192', '0.81034062', '0.33948444', '0.17949728', '0.8665464'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'B', 'B', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O'] representative atom coordinates = [[0.62619241 0.93783322 0.15644881] [0.69977307 0.20678847 0.06927127] [0.58570169 0.1959551 0.3377996 ] [0.02348458 0.87534533 0.28511473] [0.07046715 0.99103142 0.15209216] [0.54289009 0.04939233 0.61827081] [0.7011358 0.04312861 0.03944833] [0.72309679 0.25722087 0.20741976] [0.5394958 0.01592156 0.29801529] [0.60083981 0.78110055 0.13334074] [0.96030044 0.95058192 0.22935894] [0.66051556 0.17949728 0.47293804]] spacegroup = 14 cell = [[7.0217, 0, 0], [0, 8.3518, 0], [2.1310476085184, 0, 8.8538478064753]] ========================================= Step Time Energy fmax BFGS: 0 18:57:06 -201.813242 65.360733 BFGS: 1 18:57:06 -226.640428 34.191712 BFGS: 2 18:57:06 -241.285153 16.351222 BFGS: 3 18:57:06 -246.999204 17.452642 BFGS: 4 18:57:06 -253.376853 10.214933 BFGS: 5 18:57:06 -257.111384 8.301253 BFGS: 6 18:57:06 -259.254411 5.708033 BFGS: 7 18:57:06 -260.542150 5.212213 BFGS: 8 18:57:06 -261.536105 8.229476 BFGS: 9 18:57:06 -262.910322 7.584590 BFGS: 10 18:57:06 -264.449685 7.790013 BFGS: 11 18:57:06 -266.009777 8.458541 BFGS: 12 18:57:06 -267.585076 9.053767 BFGS: 13 18:57:06 -269.083526 9.543374 BFGS: 14 18:57:06 -271.336566 9.676681 BFGS: 15 18:57:06 -273.505056 9.844100 BFGS: 16 18:57:06 -276.698375 9.505811 BFGS: 17 18:57:07 -281.036242 8.741068 BFGS: 18 18:57:07 -285.307730 9.798523 BFGS: 19 18:57:07 -289.434169 10.604140 BFGS: 20 18:57:07 -293.124675 10.103047 BFGS: 21 18:57:07 -296.104489 11.254324 BFGS: 22 18:57:07 -298.623393 12.289278 BFGS: 23 18:57:07 -300.981998 12.357284 BFGS: 24 18:57:07 -303.389080 13.478205 BFGS: 25 18:57:07 -305.803628 13.540908 BFGS: 26 18:57:07 -308.249584 14.606666 BFGS: 27 18:57:07 -310.585576 15.785683 BFGS: 28 18:57:07 -312.725245 18.796199 BFGS: 29 18:57:07 -315.054698 18.110428 BFGS: 30 18:57:07 -317.246162 18.197469 BFGS: 31 18:57:07 -319.472882 18.147967 BFGS: 32 18:57:07 -321.695636 18.075482 BFGS: 33 18:57:08 -323.926954 17.947056 BFGS: 34 18:57:08 -326.153346 17.814941 BFGS: 35 18:57:08 -328.383628 17.851763 BFGS: 36 18:57:08 -330.611872 18.154251 BFGS: 37 18:57:08 -332.842722 18.822826 BFGS: 38 18:57:08 -335.063197 19.853160 BFGS: 39 18:57:08 -337.279353 20.985039 BFGS: 40 18:57:09 -339.461176 22.187196 BFGS: 41 18:57:09 -341.625250 23.356299 BFGS: 42 18:57:09 -343.723662 24.713272 BFGS: 43 18:57:09 -345.869227 25.406279 BFGS: 44 18:57:09 -347.998478 26.305633 BFGS: 45 18:57:09 -350.185326 26.640349 BFGS: 46 18:57:09 -352.384783 27.037058 BFGS: 47 18:57:10 -354.661634 26.878307 BFGS: 48 18:57:10 -356.983251 26.706611 BFGS: 49 18:57:10 -359.330189 26.145756 BFGS: 50 18:57:10 -361.691106 26.728400 BFGS: 51 18:57:10 -364.058071 29.150163 BFGS: 52 18:57:10 -366.409148 31.782905 BFGS: 53 18:57:10 -368.725507 34.564963 BFGS: 54 18:57:11 -370.982554 37.296191 BFGS: 55 18:57:11 -373.163058 40.150681 BFGS: 56 18:57:11 -375.301242 41.795457 BFGS: 57 18:57:11 -377.421919 42.451486 BFGS: 58 18:57:11 -379.529182 42.678487 BFGS: 59 18:57:11 -381.621443 46.260206 BFGS: 60 18:57:12 -383.706129 50.454830 BFGS: 61 18:57:12 -385.764647 53.851648 BFGS: 62 18:57:12 -387.790838 57.553497 BFGS: 63 18:57:12 -389.803249 59.066419 BFGS: 64 18:57:12 -391.810409 60.979200 BFGS: 65 18:57:13 -393.817180 60.419547 BFGS: 66 18:57:13 -395.820749 60.635055 BFGS: 67 18:57:13 -397.798950 58.282315 BFGS: 68 18:57:13 -399.733216 57.550183 BFGS: 69 18:57:13 -401.604968 55.264226 BFGS: 70 18:57:13 -403.367999 54.277744 BFGS: 71 18:57:14 -405.100563 52.933043 BFGS: 72 18:57:14 -406.706333 51.749804 BFGS: 73 18:57:14 -408.289842 51.078759 BFGS: 74 18:57:14 -409.809045 50.339011 BFGS: 75 18:57:14 -411.305056 49.754968 BFGS: 76 18:57:14 -412.778001 49.295140 BFGS: 77 18:57:14 -414.244590 48.706709 BFGS: 78 18:57:15 -415.713726 48.127952 BFGS: 79 18:57:15 -417.193225 47.417154 BFGS: 80 18:57:15 -418.708089 46.530215 BFGS: 81 18:57:15 -420.379208 44.929064 BFGS: 82 18:57:15 -421.841052 44.579199 BFGS: 83 18:57:15 -423.326405 43.800726 BFGS: 84 18:57:15 -424.796744 43.089451 BFGS: 85 18:57:15 -426.258447 42.339548 BFGS: 86 18:57:16 -427.711412 41.624024 BFGS: 87 18:57:16 -429.151316 40.841959 BFGS: 88 18:57:16 -430.570917 40.110827 BFGS: 89 18:57:16 -431.960563 39.281780 BFGS: 90 18:57:16 -433.317908 38.591681 BFGS: 91 18:57:16 -434.643949 37.804863 BFGS: 92 18:57:16 -435.955516 37.297949 BFGS: 93 18:57:16 -437.261502 36.651210 BFGS: 94 18:57:16 -438.581003 36.312569 BFGS: 95 18:57:16 -439.911523 35.859594 BFGS: 96 18:57:16 -441.256948 35.517690 BFGS: 97 18:57:16 -442.608441 35.165962 BFGS: 98 18:57:16 -443.963485 34.834361 BFGS: 99 18:57:17 -445.320332 34.518392 BFGS: 100 18:57:17 -446.676773 34.231545 BFGS: 101 18:57:17 -448.033336 33.972404 BFGS: 102 18:57:17 -449.385836 33.737420 BFGS: 103 18:57:17 -450.740987 33.521088 BFGS: 104 18:57:17 -452.091268 33.342601 BFGS: 105 18:57:17 -453.445266 33.162519 BFGS: 106 18:57:17 -454.795013 33.013054 BFGS: 107 18:57:17 -456.146733 32.849310 BFGS: 108 18:57:17 -457.493745 32.693053 BFGS: 109 18:57:17 -458.840536 32.498220 BFGS: 110 18:57:17 -460.181929 32.287901 BFGS: 111 18:57:18 -461.519287 32.010249 BFGS: 112 18:57:18 -462.848466 31.698401 BFGS: 113 18:57:18 -464.171661 31.276867 BFGS: 114 18:57:18 -465.483775 30.811555 BFGS: 115 18:57:18 -466.793161 30.201439 BFGS: 116 18:57:18 -468.087625 29.557072 BFGS: 117 18:57:18 -469.387245 28.768840 BFGS: 118 18:57:18 -470.668206 27.912718 BFGS: 119 18:57:18 -471.961204 26.952270 BFGS: 120 18:57:18 -473.229168 25.877371 BFGS: 121 18:57:18 -474.510321 24.735418 BFGS: 122 18:57:19 -475.768881 24.566436 BFGS: 123 18:57:19 -477.027167 24.841053 BFGS: 124 18:57:19 -478.268474 25.068716 BFGS: 125 18:57:19 -479.501973 25.320889 BFGS: 126 18:57:19 -480.720011 25.472011 BFGS: 127 18:57:19 -481.925208 25.670012 BFGS: 128 18:57:19 -483.122353 25.803634 BFGS: 129 18:57:19 -484.301775 25.882220 BFGS: 130 18:57:19 -485.478150 26.016622 BFGS: 131 18:57:19 -486.639901 26.026390 BFGS: 132 18:57:19 -487.797913 26.083658 BFGS: 133 18:57:19 -488.948278 26.081935 BFGS: 134 18:57:20 -490.092868 26.053406 BFGS: 135 18:57:20 -491.234889 26.031725 BFGS: 136 18:57:20 -492.366429 25.923770 BFGS: 137 18:57:20 -493.497260 25.862965 BFGS: 138 18:57:20 -494.614346 25.721882 BFGS: 139 18:57:20 -495.727984 25.574616 BFGS: 140 18:57:20 -496.825655 25.413336 BFGS: 141 18:57:20 -497.916615 25.198332 BFGS: 142 18:57:20 -498.990199 25.007178 BFGS: 143 18:57:20 -500.057465 24.734516 BFGS: 144 18:57:20 -501.108618 24.513786 BFGS: 145 18:57:21 -502.156865 24.206244 BFGS: 146 18:57:21 -503.194286 23.948103 BFGS: 147 18:57:21 -504.231532 23.614358 BFGS: 148 18:57:21 -505.261541 23.313100 BFGS: 149 18:57:21 -506.293146 22.958327 BFGS: 150 18:57:21 -507.320722 22.609126 BFGS: 151 18:57:21 -508.348558 22.225977 BFGS: 152 18:57:21 -509.373907 21.835934 BFGS: 153 18:57:21 -510.398620 21.420651 BFGS: 154 18:57:21 -511.421057 20.994449 BFGS: 155 18:57:21 -512.443295 20.545780 BFGS: 156 18:57:22 -513.463713 20.084188 BFGS: 157 18:57:22 -514.483874 19.631287 BFGS: 158 18:57:22 -515.502234 20.212791 BFGS: 159 18:57:22 -516.520335 20.735828 BFGS: 160 18:57:22 -517.536375 21.222949 BFGS: 161 18:57:22 -518.551812 21.646677 BFGS: 162 18:57:22 -519.564561 22.042876 BFGS: 163 18:57:22 -520.576255 22.375496 BFGS: 164 18:57:22 -521.584543 22.692123 BFGS: 165 18:57:22 -522.591189 22.935394 BFGS: 166 18:57:22 -523.592014 23.176526 BFGS: 167 18:57:22 -524.590480 23.342851 BFGS: 168 18:57:23 -525.582777 23.517161 BFGS: 169 18:57:23 -526.571341 23.630534 BFGS: 170 18:57:23 -527.554825 23.742299 BFGS: 171 18:57:23 -528.532904 23.819155 BFGS: 172 18:57:23 -529.507713 24.094915 BFGS: 173 18:57:23 -530.474362 24.483440 BFGS: 174 18:57:23 -531.441708 24.828806 BFGS: 175 18:57:23 -532.398353 25.194504 BFGS: 176 18:57:23 -533.359778 25.488419 BFGS: 177 18:57:23 -534.311249 25.809278 BFGS: 178 18:57:24 -535.265549 26.081687 BFGS: 179 18:57:24 -536.217536 26.343325 BFGS: 180 18:57:24 -537.170117 26.589997 BFGS: 181 18:57:24 -538.124621 26.806879 BFGS: 182 18:57:24 -539.079246 27.015026 BFGS: 183 18:57:24 -540.037625 27.169184 BFGS: 184 18:57:24 -540.996218 27.340544 BFGS: 185 18:57:24 -541.980828 27.155647 BFGS: 186 18:57:24 -542.961970 27.128282 BFGS: 187 18:57:24 -543.959432 27.141574 BFGS: 188 18:57:24 -544.980303 27.098863 BFGS: 189 18:57:24 -546.031137 27.020380 BFGS: 190 18:57:25 -547.125609 26.867044 BFGS: 191 18:57:25 -548.275789 26.677181 BFGS: 192 18:57:25 -549.503594 26.396262 BFGS: 193 18:57:25 -550.838802 26.084339 BFGS: 194 18:57:25 -552.336120 25.644616 BFGS: 195 18:57:25 -554.071024 25.209170 BFGS: 196 18:57:25 -556.159616 24.577248 BFGS: 197 18:57:25 -558.745759 24.900767 BFGS: 198 18:57:25 -562.045973 25.457050 BFGS: 199 18:57:25 -566.314856 26.665686 BFGS: 200 18:57:25 -572.112712 27.723498 BFGS: 201 18:57:26 -579.815249 30.328888 BFGS: 202 18:57:26 -587.994243 31.452158 BFGS: 203 18:57:26 -593.584384 30.396634 BFGS: 204 18:57:26 -603.014064 29.730557 BFGS: 205 18:57:26 -611.367279 24.369619 BFGS: 206 18:57:26 -617.912844 20.009898 BFGS: 207 18:57:26 -622.783044 16.926942 BFGS: 208 18:57:26 -626.627337 18.196176 BFGS: 209 18:57:26 -629.193069 16.319557 BFGS: 210 18:57:27 -631.329678 14.738919 BFGS: 211 18:57:27 -633.133686 13.703751 BFGS: 212 18:57:27 -634.853388 14.121454 BFGS: 213 18:57:27 -636.512285 14.460360 BFGS: 214 18:57:27 -638.182952 14.920401 BFGS: 215 18:57:27 -639.856104 15.301204 BFGS: 216 18:57:27 -641.523403 15.642727 BFGS: 217 18:57:27 -643.189946 15.990635 BFGS: 218 18:57:27 -644.853719 16.376811 BFGS: 219 18:57:28 -646.506067 16.766073 BFGS: 220 18:57:28 -648.154570 17.210428 BFGS: 221 18:57:28 -649.791493 17.656566 BFGS: 222 18:57:28 -651.424142 18.158725 BFGS: 223 18:57:28 -653.044138 18.669285 BFGS: 224 18:57:28 -654.658358 19.234033 BFGS: 225 18:57:29 -656.256933 19.806950 BFGS: 226 18:57:29 -657.842747 20.428380 BFGS: 227 18:57:29 -659.410446 21.067852 BFGS: 228 18:57:29 -660.962924 21.739297 BFGS: 229 18:57:29 -662.496810 22.423125 BFGS: 230 18:57:29 -664.012389 23.122352 BFGS: 231 18:57:29 -665.512703 23.839502 BFGS: 232 18:57:30 -666.994286 24.741077 BFGS: 233 18:57:30 -668.469514 25.720096 BFGS: 234 18:57:30 -669.930293 26.746516 BFGS: 235 18:57:30 -671.392188 27.687523 BFGS: 236 18:57:30 -672.845336 28.649977 BFGS: 237 18:57:30 -674.304350 29.526552 BFGS: 238 18:57:31 -675.757349 30.405548 BFGS: 239 18:57:31 -677.218040 31.186736 BFGS: 240 18:57:31 -678.671149 31.957205 BFGS: 241 18:57:31 -680.131684 32.619282 BFGS: 242 18:57:31 -681.582804 33.261060 BFGS: 243 18:57:31 -683.038313 33.788284 BFGS: 244 18:57:31 -684.482803 34.297626 BFGS: 245 18:57:31 -685.931117 34.695911 BFGS: 246 18:57:31 -687.367635 35.085460 BFGS: 247 18:57:32 -688.804249 35.382052 BFGS: 248 18:57:32 -690.232819 35.655373 BFGS: 249 18:57:32 -691.656153 36.134676 BFGS: 250 18:57:32 -693.080101 37.102863 BFGS: 251 18:57:32 -694.491895 38.129899 BFGS: 252 18:57:32 -695.911624 39.130906 BFGS: 253 18:57:32 -697.316615 40.133178 BFGS: 254 18:57:32 -698.730084 41.162956 BFGS: 255 18:57:32 -700.133188 42.145319 BFGS: 256 18:57:32 -701.541759 43.181077 BFGS: 257 18:57:32 -702.944897 44.163466 BFGS: 258 18:57:33 -704.350809 45.198659 BFGS: 259 18:57:33 -705.755605 46.183563 BFGS: 260 18:57:33 -707.161828 47.208428 BFGS: 261 18:57:33 -708.568677 48.191815 BFGS: 262 18:57:33 -709.975591 49.192065 BFGS: 263 18:57:33 -711.385283 50.166397 BFGS: 264 18:57:33 -712.793793 51.134633 BFGS: 265 18:57:33 -714.207481 52.092867 BFGS: 266 18:57:33 -715.618758 53.014560 BFGS: 267 18:57:34 -717.038463 53.942500 BFGS: 268 18:57:34 -718.454767 54.804069 BFGS: 269 18:57:34 -719.882104 55.694647 BFGS: 270 18:57:34 -721.308116 56.491829 BFGS: 271 18:57:34 -722.745730 57.328631 BFGS: 272 18:57:34 -724.184058 58.059180 BFGS: 273 18:57:34 -725.632438 58.830396 BFGS: 274 18:57:34 -727.085575 59.493023 BFGS: 275 18:57:34 -728.544927 60.199030 BFGS: 276 18:57:35 -730.009957 60.788551 BFGS: 277 18:57:35 -731.480787 61.428473 BFGS: 278 18:57:35 -732.955320 61.933603 BFGS: 279 18:57:35 -734.432669 62.508368 BFGS: 280 18:57:35 -735.910911 62.922712 BFGS: 281 18:57:35 -737.388612 63.428238 BFGS: 282 18:57:35 -738.862502 63.745165 BFGS: 283 18:57:35 -740.332804 64.174246 BFGS: 284 18:57:35 -741.792872 64.398015 BFGS: 285 18:57:35 -743.244596 64.745893 BFGS: 286 18:57:35 -744.682929 64.880534 BFGS: 287 18:57:35 -746.111673 65.137966 BFGS: 288 18:57:35 -747.524469 65.194600 BFGS: 289 18:57:35 -748.928201 65.354627 BFGS: 290 18:57:36 -750.314197 65.341457 BFGS: 291 18:57:36 -751.692833 65.399741 BFGS: 292 18:57:36 -753.055931 65.319357 BFGS: 293 18:57:36 -754.413698 65.271408 BFGS: 294 18:57:36 -755.759220 65.124511 BFGS: 295 18:57:36 -757.101707 64.967516 BFGS: 296 18:57:36 -758.437619 64.750094 BFGS: 297 18:57:36 -759.773830 64.468803 BFGS: 298 18:57:36 -761.108174 64.157460 BFGS: 299 18:57:36 -762.446003 63.740901 BFGS: 300 18:57:36 -763.788100 63.305892 BFGS: 301 18:57:36 -765.133422 62.741216 BFGS: 302 18:57:36 -766.488849 62.150434 BFGS: 303 18:57:36 -767.850893 61.425221 BFGS: 304 18:57:36 -769.227018 60.648729 BFGS: 305 18:57:37 -770.610822 59.766519 BFGS: 306 18:57:37 -772.012878 58.793580 BFGS: 307 18:57:37 -773.422990 57.753810 BFGS: 308 18:57:37 -774.855282 56.588977 BFGS: 309 18:57:37 -776.299445 55.426268 BFGS: 310 18:57:37 -777.767214 54.096640 BFGS: 311 18:57:37 -779.248861 52.821805 BFGS: 312 18:57:37 -780.758547 51.370337 BFGS: 313 18:57:37 -782.283847 49.999434 BFGS: 314 18:57:37 -783.844029 48.459280 BFGS: 315 18:57:37 -785.428559 47.004388 BFGS: 316 18:57:37 -787.053314 45.402795 BFGS: 317 18:57:37 -788.712349 43.882648 BFGS: 318 18:57:37 -790.416776 42.263543 BFGS: 319 18:57:37 -792.139152 40.726915 BFGS: 320 18:57:38 -793.850628 39.200648 BFGS: 321 18:57:38 -795.558216 37.752880 BFGS: 322 18:57:38 -797.249974 36.376421 BFGS: 323 18:57:38 -798.939128 35.042959 BFGS: 324 18:57:38 -800.605052 33.817682 BFGS: 325 18:57:38 -802.262621 32.612805 BFGS: 326 18:57:38 -803.898619 31.515017 BFGS: 327 18:57:38 -805.525839 30.429554 BFGS: 328 18:57:38 -807.143361 29.395708 BFGS: 329 18:57:38 -808.772411 28.375185 BFGS: 330 18:57:38 -810.430110 27.340601 BFGS: 331 18:57:38 -812.098365 26.306307 BFGS: 332 18:57:38 -813.794739 25.260696 BFGS: 333 18:57:38 -815.496923 24.762758 BFGS: 334 18:57:39 -817.237823 24.182096 BFGS: 335 18:57:39 -818.936608 23.606552 BFGS: 336 18:57:39 -820.624760 23.788181 BFGS: 337 18:57:39 -822.292731 24.661649 BFGS: 338 18:57:39 -823.995960 25.533328 BFGS: 339 18:57:39 -825.701277 26.472506 BFGS: 340 18:57:39 -827.449790 27.378908 BFGS: 341 18:57:39 -829.204974 28.329670 BFGS: 342 18:57:39 -830.983582 29.230526 BFGS: 343 18:57:39 -832.763970 30.154620 BFGS: 344 18:57:39 -834.551837 31.034692 BFGS: 345 18:57:39 -836.336880 31.905846 BFGS: 346 18:57:39 -838.121832 32.748449 BFGS: 347 18:57:39 -839.903593 33.556602 BFGS: 348 18:57:40 -841.684638 34.334248 BFGS: 349 18:57:40 -843.462323 35.080659 BFGS: 350 18:57:40 -845.243014 35.799499 BFGS: 351 18:57:40 -847.025293 36.479747 BFGS: 352 18:57:40 -848.806245 37.135306 BFGS: 353 18:57:40 -850.594110 37.752938 BFGS: 354 18:57:40 -852.382195 38.354210 BFGS: 355 18:57:40 -854.176869 38.910780 BFGS: 356 18:57:40 -855.978953 39.460462 BFGS: 357 18:57:40 -857.800150 39.949793 BFGS: 358 18:57:40 -859.632769 40.460941 BFGS: 359 18:57:40 -861.497216 40.879587 BFGS: 360 18:57:40 -863.388335 41.331441 BFGS: 361 18:57:40 -865.321560 41.653155 BFGS: 362 18:57:41 -867.278249 42.025906 BFGS: 363 18:57:41 -869.229232 42.207695 BFGS: 364 18:57:41 -871.148952 42.424028 BFGS: 365 18:57:41 -873.029405 42.404015 BFGS: 366 18:57:41 -874.847527 42.415357 BFGS: 367 18:57:41 -876.598603 42.168901 BFGS: 368 18:57:41 -878.261820 41.967796 BFGS: 369 18:57:41 -879.854782 41.519579 BFGS: 370 18:57:41 -881.373631 41.143914 BFGS: 371 18:57:41 -882.841148 40.579510 BFGS: 372 18:57:41 -884.257189 40.098339 BFGS: 373 18:57:41 -885.643756 39.486142 BFGS: 374 18:57:41 -887.002393 38.945170 BFGS: 375 18:57:42 -888.349175 38.311489 BFGS: 376 18:57:42 -889.688698 37.710905 BFGS: 377 18:57:42 -891.033394 37.044774 BFGS: 378 18:57:42 -892.387023 36.383910 BFGS: 379 18:57:42 -893.757556 35.668705 BFGS: 380 18:57:42 -895.153088 34.940567 BFGS: 381 18:57:42 -896.580895 34.165803 BFGS: 382 18:57:42 -898.059139 33.368501 BFGS: 383 18:57:42 -899.605167 32.522710 BFGS: 384 18:57:42 -901.249984 31.647287 BFGS: 385 18:57:42 -903.017861 30.704399 BFGS: 386 18:57:42 -904.758546 29.751171 BFGS: 387 18:57:43 -906.394276 28.766236 BFGS: 388 18:57:43 -907.925995 27.732307 BFGS: 389 18:57:43 -909.366617 26.672535 BFGS: 390 18:57:43 -910.733762 25.602663 BFGS: 391 18:57:43 -912.018398 24.592770 BFGS: 392 18:57:43 -913.250413 23.592163 BFGS: 393 18:57:43 -914.401671 22.728160 BFGS: 394 18:57:43 -915.531041 21.815433 BFGS: 395 18:57:43 -916.576429 21.092945 BFGS: 396 18:57:43 -917.614469 20.292655 BFGS: 397 18:57:43 -918.591580 19.623778 BFGS: 398 18:57:43 -919.545566 18.952281 BFGS: 399 18:57:44 -920.461175 18.336054 BFGS: 400 18:57:44 -921.351085 17.735868 BFGS: 401 18:57:44 -922.213203 17.159034 BFGS: 402 18:57:44 -923.053879 16.594203 BFGS: 403 18:57:44 -923.874712 16.350241 BFGS: 404 18:57:44 -924.679135 16.540231 BFGS: 405 18:57:44 -925.469767 16.742485 BFGS: 406 18:57:44 -926.249177 16.976085 BFGS: 407 18:57:44 -927.021587 17.229527 BFGS: 408 18:57:44 -927.792924 17.524925 BFGS: 409 18:57:44 -928.566740 17.847234 BFGS: 410 18:57:44 -929.350889 18.229269 BFGS: 411 18:57:45 -930.154444 18.657158 BFGS: 412 18:57:45 -930.990732 19.167886 BFGS: 413 18:57:45 -931.873852 19.769059 BFGS: 414 18:57:45 -932.827724 20.513083 BFGS: 415 18:57:45 -933.876411 21.427307 BFGS: 416 18:57:45 -935.027331 22.557973 BFGS: 417 18:57:45 -936.125283 23.697026 BFGS: 418 18:57:45 -937.207541 24.863643 BFGS: 419 18:57:45 -938.287799 26.030081 BFGS: 420 18:57:45 -939.379641 27.225826 BFGS: 421 18:57:45 -940.487035 28.426026 BFGS: 422 18:57:46 -941.616505 29.670699 BFGS: 423 18:57:46 -942.706736 30.858354 BFGS: 424 18:57:46 -943.712505 31.980106 BFGS: 425 18:57:46 -944.640402 33.013635 BFGS: 426 18:57:46 -945.509269 34.015954 BFGS: 427 18:57:46 -946.333725 34.970525 BFGS: 428 18:57:46 -947.128272 35.922399 BFGS: 429 18:57:46 -947.898032 36.853507 BFGS: 430 18:57:46 -948.650853 37.788220 BFGS: 431 18:57:46 -949.390539 38.712612 BFGS: 432 18:57:46 -950.122116 39.647274 BFGS: 433 18:57:46 -950.848010 40.574271 BFGS: 434 18:57:47 -951.571174 41.515144 BFGS: 435 18:57:47 -952.293575 42.453847 BFGS: 436 18:57:47 -953.020201 43.413476 BFGS: 437 18:57:47 -953.753520 44.376720 BFGS: 438 18:57:47 -954.497589 45.368242 BFGS: 439 18:57:47 -955.254752 46.367168 BFGS: 440 18:57:47 -956.030847 47.405933 BFGS: 441 18:57:47 -956.829265 48.467387 BFGS: 442 18:57:47 -957.660070 49.579296 BFGS: 443 18:57:47 -958.533160 50.745459 BFGS: 444 18:57:47 -959.461582 51.988536 BFGS: 445 18:57:48 -960.378422 53.210010 BFGS: 446 18:57:48 -961.260784 54.381729 BFGS: 447 18:57:48 -962.123070 55.489032 BFGS: 448 18:57:48 -962.997770 56.592084 BFGS: 449 18:57:48 -963.884767 57.662569 BFGS: 450 18:57:48 -964.799100 58.773547 BFGS: 451 18:57:48 -965.722129 59.843364 BFGS: 452 18:57:48 -966.676121 60.980004 BFGS: 453 18:57:48 -967.625070 62.041465 BFGS: 454 18:57:48 -968.601584 63.204661 BFGS: 455 18:57:48 -969.547659 64.226437 BFGS: 456 18:57:49 -970.508561 65.373582 BFGS: 457 18:57:49 -971.439723 66.329369 BFGS: 458 18:57:49 -972.359228 67.410770 BFGS: 459 18:57:49 -973.261454 68.298189 BFGS: 460 18:57:49 -974.149245 69.283911 BFGS: 461 18:57:49 -975.024745 70.117396 BFGS: 462 18:57:49 -975.890455 70.998695 BFGS: 463 18:57:49 -976.749363 71.781716 BFGS: 464 18:57:49 -977.604325 72.571369 BFGS: 465 18:57:50 -978.456467 73.297086 BFGS: 466 18:57:50 -979.308788 74.005822 BFGS: 467 18:57:50 -980.163109 74.671447 BFGS: 468 18:57:50 -981.021607 75.312904 BFGS: 469 18:57:50 -981.885696 75.921929 BFGS: 470 18:57:50 -982.757421 76.504583 BFGS: 471 18:57:50 -983.637312 77.060544 BFGS: 472 18:57:50 -984.527505 77.590618 BFGS: 473 18:57:50 -985.428016 78.099013 BFGS: 474 18:57:50 -986.339654 78.579423 BFGS: 475 18:57:51 -987.261902 79.041940 BFGS: 476 18:57:51 -988.187974 79.470793 BFGS: 477 18:57:51 -989.116550 79.885759 BFGS: 478 18:57:51 -990.045015 80.266520 BFGS: 479 18:57:51 -990.973637 80.635860 BFGS: 480 18:57:51 -991.906956 80.968014 BFGS: 481 18:57:51 -992.842637 81.311257 BFGS: 482 18:57:51 -993.785279 81.614557 BFGS: 483 18:57:51 -994.737450 81.947762 BFGS: 484 18:57:51 -995.696696 82.240809 BFGS: 485 18:57:52 -996.661773 82.571041 BFGS: 486 18:57:52 -997.637475 82.850825 BFGS: 487 18:57:52 -998.624278 83.177187 BFGS: 488 18:57:52 -999.618789 83.456825 BFGS: 489 18:57:52 -1000.623756 83.770388 BFGS: 490 18:57:52 -1001.635807 84.037870 BFGS: 491 18:57:52 -1002.654657 84.323599 BFGS: 492 18:57:52 -1003.674826 84.550874 BFGS: 493 18:57:52 -1004.697942 84.789276 BFGS: 494 18:57:53 -1005.724412 84.970816 BFGS: 495 18:57:53 -1006.750489 85.145846 BFGS: 496 18:57:53 -1007.777077 85.263704 BFGS: 497 18:57:53 -1008.810205 85.372697 BFGS: 498 18:57:53 -1009.846225 85.422932 BFGS: 499 18:57:53 -1010.884878 85.469413 BFGS: 500 18:57:53 -1011.923971 85.455104 BFGS: 501 18:57:53 -1012.964789 85.427381 BFGS: 502 18:57:53 -1014.006643 85.354143 BFGS: 503 18:57:54 -1015.050736 85.261751 BFGS: 504 18:57:54 -1016.097035 85.119124 BFGS: 505 18:57:54 -1017.145610 84.953622 BFGS: 506 18:57:54 -1018.197571 84.741992 BFGS: 507 18:57:54 -1019.250537 84.502110 BFGS: 508 18:57:54 -1020.307363 84.206925 BFGS: 509 18:57:54 -1021.367534 83.885143 BFGS: 510 18:57:54 -1022.433510 83.513865 BFGS: 511 18:57:54 -1023.504638 83.118440 BFGS: 512 18:57:54 -1024.580053 82.670352 BFGS: 513 18:57:55 -1025.663486 82.190737 BFGS: 514 18:57:55 -1026.750878 81.665391 BFGS: 515 18:57:55 -1027.845537 81.109340 BFGS: 516 18:57:55 -1028.950225 80.521312 BFGS: 517 18:57:55 -1030.060393 79.899229 BFGS: 518 18:57:55 -1031.173414 79.228130 BFGS: 519 18:57:55 -1032.297005 78.540328 BFGS: 520 18:57:55 -1033.425524 77.813144 BFGS: 521 18:57:55 -1034.562149 77.066617 BFGS: 522 18:57:56 -1035.702087 76.279508 BFGS: 523 18:57:56 -1036.847596 75.473414 BFGS: 524 18:57:56 -1037.997964 74.642317 BFGS: 525 18:57:56 -1039.151722 73.793331 BFGS: 526 18:57:56 -1040.312992 72.924997 BFGS: 527 18:57:56 -1041.472805 72.040229 BFGS: 528 18:57:56 -1042.641756 71.140724 BFGS: 529 18:57:56 -1043.800296 70.223944 BFGS: 530 18:57:57 -1044.978748 69.305565 BFGS: 531 18:57:57 -1046.140279 68.367872 BFGS: 532 18:57:57 -1047.325514 67.429998 BFGS: 533 18:57:57 -1048.488701 66.477247 BFGS: 534 18:57:57 -1049.687659 65.534704 BFGS: 535 18:57:57 -1050.851738 64.570439 BFGS: 536 18:57:57 -1052.067333 63.624570 BFGS: 537 18:57:57 -1053.244340 62.655587 BFGS: 538 18:57:57 -1054.468766 61.703816 BFGS: 539 18:57:58 -1055.664353 60.732896 BFGS: 540 18:57:58 -1056.887545 59.770208 BFGS: 541 18:57:58 -1058.103245 58.800557 BFGS: 542 18:57:58 -1059.345505 57.839528 BFGS: 543 18:57:58 -1060.583870 56.872476 BFGS: 544 18:57:58 -1061.852301 55.911048 BFGS: 545 18:57:58 -1063.112492 54.940100 BFGS: 546 18:57:58 -1064.412511 53.986601 BFGS: 547 18:57:58 -1065.690972 53.013246 BFGS: 548 18:57:59 -1067.026930 52.062082 BFGS: 549 18:57:59 -1068.332680 51.083046 BFGS: 550 18:57:59 -1069.723279 50.145053 BFGS: 551 18:57:59 -1071.045437 49.144006 BFGS: 552 18:57:59 -1072.506184 48.239007 BFGS: 553 18:57:59 -1073.897898 47.231283 BFGS: 554 18:57:59 -1075.281406 46.205929 BFGS: 555 18:57:59 -1076.670831 45.178499 BFGS: 556 18:57:59 -1078.097822 44.177329 BFGS: 557 18:58:00 -1079.532033 43.160016 BFGS: 558 18:58:00 -1081.018626 42.169987 BFGS: 559 18:58:00 -1082.498893 41.140638 BFGS: 560 18:58:00 -1084.012715 40.196487 BFGS: 561 18:58:00 -1085.529395 39.151222 BFGS: 562 18:58:00 -1087.058396 38.310577 BFGS: 563 18:58:00 -1088.640878 37.228123 BFGS: 564 18:58:00 -1090.215523 36.317447 BFGS: 565 18:58:01 -1091.832086 35.198175 BFGS: 566 18:58:01 -1093.436301 34.273299 BFGS: 567 18:58:01 -1095.082413 33.159276 BFGS: 568 18:58:01 -1096.719310 32.211711 BFGS: 569 18:58:01 -1098.385630 31.126472 BFGS: 570 18:58:01 -1100.046069 30.186126 BFGS: 571 18:58:01 -1101.725183 29.153495 BFGS: 572 18:58:01 -1103.408824 28.258456 BFGS: 573 18:58:01 -1105.111253 27.281607 BFGS: 574 18:58:02 -1106.827536 26.440137 BFGS: 575 18:58:02 -1108.570689 25.518153 BFGS: 576 18:58:02 -1110.337204 25.049031 BFGS: 577 18:58:02 -1112.141799 24.810112 BFGS: 578 18:58:02 -1113.983589 24.537239 BFGS: 579 18:58:02 -1115.867629 24.243959 BFGS: 580 18:58:02 -1117.809468 23.906277 BFGS: 581 18:58:02 -1119.796570 23.555885 BFGS: 582 18:58:03 -1121.866118 23.149203 BFGS: 583 18:58:03 -1123.997701 22.729497 BFGS: 584 18:58:03 -1126.228916 22.256112 BFGS: 585 18:58:03 -1128.542563 21.764498 BFGS: 586 18:58:03 -1130.966260 21.223206 BFGS: 587 18:58:03 -1133.483558 20.667485 BFGS: 588 18:58:03 -1135.709353 20.166809 BFGS: 589 18:58:03 -1137.732278 19.721583 BFGS: 590 18:58:03 -1139.616412 19.307936 BFGS: 591 18:58:04 -1141.419072 18.921411 BFGS: 592 18:58:04 -1143.169358 18.852514 BFGS: 593 18:58:04 -1144.887914 19.076267 BFGS: 594 18:58:04 -1146.592281 19.261421 BFGS: 595 18:58:04 -1148.304136 19.412285 BFGS: 596 18:58:04 -1150.019398 19.532906 BFGS: 597 18:58:04 -1151.742368 19.624033 BFGS: 598 18:58:04 -1153.456435 19.683936 BFGS: 599 18:58:05 -1155.159837 19.716484 BFGS: 600 18:58:05 -1156.840026 19.734309 BFGS: 601 18:58:05 -1158.491725 19.721453 BFGS: 602 18:58:05 -1160.120418 19.697762 BFGS: 603 18:58:05 -1161.717884 19.657465 BFGS: 604 18:58:05 -1163.292862 19.594033 BFGS: 605 18:58:05 -1164.843167 19.513106 BFGS: 606 18:58:05 -1166.375169 19.420424 BFGS: 607 18:58:06 -1167.887805 19.310221 BFGS: 608 18:58:06 -1169.384410 19.188765 BFGS: 609 18:58:06 -1170.868486 19.059391 BFGS: 610 18:58:06 -1172.338765 18.912996 BFGS: 611 18:58:06 -1173.800299 18.753336 BFGS: 612 18:58:06 -1175.252874 18.581299 BFGS: 613 18:58:06 -1176.695758 18.408256 BFGS: 614 18:58:06 -1178.125979 18.215726 BFGS: 615 18:58:07 -1179.550762 18.012917 BFGS: 616 18:58:07 -1180.967161 17.803220 BFGS: 617 18:58:07 -1182.376558 17.581379 BFGS: 618 18:58:07 -1183.777258 17.350676 BFGS: 619 18:58:07 -1185.170561 17.108506 BFGS: 620 18:58:07 -1186.555471 16.856484 BFGS: 621 18:58:07 -1187.933902 17.242212 BFGS: 622 18:58:07 -1189.301095 17.936438 BFGS: 623 18:58:08 -1190.658291 18.635774 BFGS: 624 18:58:08 -1192.006053 19.336353 BFGS: 625 18:58:08 -1193.340864 20.034519 BFGS: 626 18:58:08 -1194.663073 20.735164 BFGS: 627 18:58:08 -1195.969367 21.422753 BFGS: 628 18:58:08 -1197.263069 22.107501 BFGS: 629 18:58:08 -1198.539189 22.781621 BFGS: 630 18:58:09 -1199.797090 23.446257 BFGS: 631 18:58:09 -1201.034433 24.091395 BFGS: 632 18:58:09 -1202.250086 24.717840 BFGS: 633 18:58:09 -1203.441066 25.323818 BFGS: 634 18:58:09 -1204.611818 25.903039 BFGS: 635 18:58:09 -1205.756287 26.459170 BFGS: 636 18:58:09 -1206.878473 26.979097 BFGS: 637 18:58:09 -1207.973254 27.472789 BFGS: 638 18:58:10 -1209.046741 27.925162 BFGS: 639 18:58:10 -1210.096154 28.353832 BFGS: 640 18:58:10 -1211.124201 28.743179 BFGS: 641 18:58:10 -1212.131408 29.096152 BFGS: 642 18:58:10 -1213.120547 29.418198 BFGS: 643 18:58:10 -1214.091973 29.699002 BFGS: 644 18:58:10 -1215.046398 29.957694 BFGS: 645 18:58:11 -1215.988214 30.183227 BFGS: 646 18:58:11 -1216.917200 30.381583 BFGS: 647 18:58:11 -1217.834292 30.549097 BFGS: 648 18:58:11 -1218.741879 30.694261 BFGS: 649 18:58:11 -1219.637885 30.811040 BFGS: 650 18:58:11 -1220.527924 30.908047 BFGS: 651 18:58:11 -1221.410137 30.987238 BFGS: 652 18:58:12 -1222.285725 31.039776 BFGS: 653 18:58:12 -1223.156279 31.080260 BFGS: 654 18:58:12 -1224.022727 31.093710 BFGS: 655 18:58:12 -1224.885178 31.102724 BFGS: 656 18:58:12 -1225.744659 31.085703 BFGS: 657 18:58:12 -1226.601350 31.062073 BFGS: 658 18:58:12 -1227.454138 31.017971 BFGS: 659 18:58:13 -1228.302072 30.970376 BFGS: 660 18:58:13 -1229.152892 30.897822 BFGS: 661 18:58:13 -1230.000869 30.829694 BFGS: 662 18:58:13 -1230.847712 30.724844 BFGS: 663 18:58:13 -1231.694926 30.633616 BFGS: 664 18:58:13 -1232.540981 30.514700 BFGS: 665 18:58:14 -1233.386839 30.396089 BFGS: 666 18:58:14 -1234.234566 30.249821 BFGS: 667 18:58:14 -1235.083150 30.114367 BFGS: 668 18:58:14 -1235.934787 29.940930 BFGS: 669 18:58:14 -1236.785005 29.786481 BFGS: 670 18:58:14 -1237.640212 29.589128 BFGS: 671 18:58:14 -1238.495706 29.418414 BFGS: 672 18:58:15 -1239.355750 29.184458 BFGS: 673 18:58:15 -1240.215722 28.999827 BFGS: 674 18:58:15 -1241.083932 28.730508 BFGS: 675 18:58:15 -1241.949463 28.539013 BFGS: 676 18:58:15 -1242.826909 28.228696 BFGS: 677 18:58:15 -1243.696974 28.020188 BFGS: 678 18:58:16 -1244.584298 27.674068 BFGS: 679 18:58:16 -1245.460487 27.444218 BFGS: 680 18:58:16 -1246.355119 27.074332 BFGS: 681 18:58:16 -1247.239675 26.803330 BFGS: 682 18:58:16 -1248.142397 26.411772 BFGS: 683 18:58:16 -1249.037077 26.090539 BFGS: 684 18:58:16 -1249.947322 25.677165 BFGS: 685 18:58:17 -1250.850440 25.300650 BFGS: 686 18:58:17 -1251.767780 24.852410 BFGS: 687 18:58:17 -1252.678542 24.422943 BFGS: 688 18:58:17 -1253.600225 23.933187 BFGS: 689 18:58:17 -1254.517728 23.444838 BFGS: 690 18:58:17 -1255.442404 22.910529 BFGS: 691 18:58:17 -1256.364069 22.363630 BFGS: 692 18:58:18 -1257.292123 21.775507 BFGS: 693 18:58:18 -1258.218191 21.170159 BFGS: 694 18:58:18 -1259.145775 20.522752 BFGS: 695 18:58:18 -1260.074688 19.852967 BFGS: 696 18:58:18 -1261.002177 19.156916 BFGS: 697 18:58:18 -1261.934234 18.439053 BFGS: 698 18:58:19 -1262.867507 18.656221 BFGS: 699 18:58:19 -1263.809099 18.850932 BFGS: 700 18:58:19 -1264.753127 18.993172 BFGS: 701 18:58:19 -1265.713492 19.101244 BFGS: 702 18:58:19 -1266.684657 19.136687 BFGS: 703 18:58:19 -1267.678967 19.116575 BFGS: 704 18:58:19 -1268.691278 18.995796 BFGS: 705 18:58:20 -1269.750473 18.818147 BFGS: 706 18:58:20 -1270.825658 18.464819 BFGS: 707 18:58:20 -1271.986791 18.100912 BFGS: 708 18:58:20 -1273.119970 17.395972 BFGS: 709 18:58:20 -1274.433070 16.896688 BFGS: 710 18:58:20 -1275.556523 15.731664 BFGS: 711 18:58:21 -1277.032046 15.123391 BFGS: 712 18:58:21 -1278.170867 13.985755 BFGS: 713 18:58:21 -1279.644337 14.372962 BFGS: 714 18:58:21 -1280.865064 14.715126 BFGS: 715 18:58:21 -1282.095654 15.143159 BFGS: 716 18:58:21 -1283.187156 15.529280 BFGS: 717 18:58:21 -1284.197361 15.936695 BFGS: 718 18:58:22 -1285.132688 16.311992 BFGS: 719 18:58:22 -1286.018126 16.698446 BFGS: 720 18:58:22 -1286.859870 17.065231 BFGS: 721 18:58:22 -1287.673032 17.447162 BFGS: 722 18:58:22 -1288.460872 17.811823 BFGS: 723 18:58:22 -1289.229897 18.191525 BFGS: 724 18:58:23 -1289.982753 18.556731 BFGS: 725 18:58:23 -1290.728329 18.938717 BFGS: 726 18:58:23 -1291.467422 19.348053 BFGS: 727 18:58:23 -1292.211581 19.805944 BFGS: 728 18:58:23 -1292.964757 20.291260 BFGS: 729 18:58:23 -1293.728405 20.753925 BFGS: 730 18:58:24 -1294.515738 21.246887 BFGS: 731 18:58:24 -1295.351057 21.730862 BFGS: 732 18:58:24 -1296.258882 22.266679 BFGS: 733 18:58:24 -1297.278218 22.802121 BFGS: 734 18:58:24 -1298.441535 23.422940 BFGS: 735 18:58:24 -1299.814115 24.029572 BFGS: 736 18:58:25 -1301.224388 24.660024 BFGS: 737 18:58:25 -1302.656506 25.106252 BFGS: 738 18:58:25 -1304.057274 25.542671 BFGS: 739 18:58:25 -1305.465720 25.747842 BFGS: 740 18:58:25 -1306.791336 25.946163 BFGS: 741 18:58:25 -1307.986177 25.914322 BFGS: 742 18:58:26 -1309.148498 25.889797 BFGS: 743 18:58:26 -1310.214620 25.698487 BFGS: 744 18:58:26 -1311.268345 25.503998 BFGS: 745 18:58:26 -1312.242821 25.202083 BFGS: 746 18:58:26 -1313.205632 24.875360 BFGS: 747 18:58:26 -1314.101040 24.487812 BFGS: 748 18:58:27 -1314.980991 24.052080 BFGS: 749 18:58:27 -1315.802703 23.585072 BFGS: 750 18:58:27 -1316.607214 23.057285 BFGS: 751 18:58:27 -1317.361007 22.511599 BFGS: 752 18:58:27 -1318.100060 21.913898 BFGS: 753 18:58:27 -1318.800054 21.298628 BFGS: 754 18:58:28 -1319.490717 20.651240 BFGS: 755 18:58:28 -1320.153056 20.001332 BFGS: 756 18:58:28 -1320.808783 19.354071 BFGS: 757 18:58:28 -1321.442496 18.721462 BFGS: 758 18:58:28 -1322.065504 18.139496 BFGS: 759 18:58:28 -1322.669554 17.575344 BFGS: 760 18:58:29 -1323.260039 17.080664 BFGS: 761 18:58:29 -1323.834491 16.599135 BFGS: 762 18:58:29 -1324.399337 16.166485 BFGS: 763 18:58:29 -1324.957034 15.717137 BFGS: 764 18:58:29 -1325.517677 15.267061 BFGS: 765 18:58:29 -1326.089097 14.745355 BFGS: 766 18:58:30 -1326.688360 14.132215 BFGS: 767 18:58:30 -1327.333486 13.364528 BFGS: 768 18:58:30 -1328.067155 12.452423 BFGS: 769 18:58:30 -1328.759087 14.113490 BFGS: 770 18:58:30 -1329.462980 15.419016 BFGS: 771 18:58:30 -1330.223825 16.538255 BFGS: 772 18:58:31 -1331.040939 17.090803 BFGS: 773 18:58:31 -1331.863074 17.800467 BFGS: 774 18:58:31 -1332.699840 17.730363 BFGS: 775 18:58:31 -1333.545574 18.014850 BFGS: 776 18:58:31 -1334.412452 17.788103 BFGS: 777 18:58:31 -1335.294780 17.609441 BFGS: 778 18:58:32 -1336.191436 17.203521 BFGS: 779 18:58:32 -1337.098139 16.734006 BFGS: 780 18:58:32 -1338.010379 16.147987 BFGS: 781 18:58:32 -1338.923728 15.491032 BFGS: 782 18:58:32 -1339.832814 14.766144 BFGS: 783 18:58:32 -1340.734942 15.054493 BFGS: 784 18:58:33 -1341.624990 15.373004 BFGS: 785 18:58:33 -1342.499321 15.659067 BFGS: 786 18:58:33 -1343.356026 15.918345 BFGS: 787 18:58:33 -1344.192193 16.148282 BFGS: 788 18:58:33 -1345.005398 16.352016 BFGS: 789 18:58:33 -1345.794590 16.530601 BFGS: 790 18:58:34 -1346.557864 16.688802 BFGS: 791 18:58:34 -1347.292837 16.812633 BFGS: 792 18:58:34 -1347.999612 16.918320 BFGS: 793 18:58:34 -1348.677380 16.986370 BFGS: 794 18:58:34 -1349.326735 17.032244 BFGS: 795 18:58:34 -1349.947806 17.029446 BFGS: 796 18:58:35 -1350.546142 16.994509 BFGS: 797 18:58:35 -1351.121821 16.882908 BFGS: 798 18:58:35 -1351.690310 16.746020 BFGS: 799 18:58:35 -1352.250817 16.553870 BFGS: 800 18:58:35 -1352.853796 17.166527 BFGS: 801 18:58:35 -1353.458823 18.557043 BFGS: 802 18:58:36 -1354.023140 18.152361 BFGS: 803 18:58:36 -1354.842413 18.453171 BFGS: 804 18:58:36 -1355.539477 17.656601 BFGS: 805 18:58:36 -1356.292596 17.895957 BFGS: 806 18:58:36 -1356.946193 17.993760 BFGS: 807 18:58:36 -1357.538993 17.901767 BFGS: 808 18:58:37 -1358.077845 17.703343 BFGS: 809 18:58:37 -1358.570125 17.474346 BFGS: 810 18:58:37 -1359.027254 17.186390 BFGS: 811 18:58:37 -1359.450586 16.889829 BFGS: 812 18:58:37 -1359.848908 16.567826 BFGS: 813 18:58:37 -1360.221646 16.234712 BFGS: 814 18:58:38 -1360.576226 15.899645 BFGS: 815 18:58:38 -1360.911199 15.549741 BFGS: 816 18:58:38 -1361.232587 15.217235 BFGS: 817 18:58:38 -1361.539298 14.865941 BFGS: 818 18:58:38 -1361.836721 14.536783 BFGS: 819 18:58:38 -1362.123023 14.202743 BFGS: 820 18:58:39 -1362.402618 13.892011 BFGS: 821 18:58:39 -1362.674551 13.588135 BFGS: 822 18:58:39 -1362.941867 13.304801 BFGS: 823 18:58:39 -1363.204241 13.219486 BFGS: 824 18:58:39 -1363.463805 13.502903 BFGS: 825 18:58:39 -1363.720147 13.780162 BFGS: 826 18:58:39 -1363.975070 14.027152 BFGS: 827 18:58:40 -1364.228405 14.264019 BFGS: 828 18:58:40 -1364.481391 14.471875 BFGS: 829 18:58:40 -1364.734003 14.669017 BFGS: 830 18:58:40 -1364.987078 14.837881 BFGS: 831 18:58:40 -1365.240491 14.997519 BFGS: 832 18:58:40 -1365.494848 15.127596 BFGS: 833 18:58:41 -1365.750045 15.248673 BFGS: 834 18:58:41 -1366.006579 15.342887 BFGS: 835 18:58:41 -1366.264301 15.425569 BFGS: 836 18:58:41 -1366.523959 15.485629 BFGS: 837 18:58:41 -1366.785093 15.538914 BFGS: 838 18:58:41 -1367.048006 15.559724 BFGS: 839 18:58:42 -1367.312489 15.583523 BFGS: 840 18:58:42 -1367.579759 15.567182 BFGS: 841 18:58:42 -1367.848830 15.571625 BFGS: 842 18:58:42 -1368.121009 15.507842 BFGS: 843 18:58:42 -1368.394697 15.501948 BFGS: 844 18:58:43 -1368.672438 15.387324 BFGS: 845 18:58:43 -1368.950012 15.386736 BFGS: 846 18:58:43 -1369.232999 15.208281 BFGS: 847 18:58:43 -1369.513871 15.222460 BFGS: 848 18:58:43 -1369.801172 14.994034 BFGS: 849 18:58:43 -1370.085078 14.992716 BFGS: 850 18:58:44 -1370.374521 14.766511 BFGS: 851 18:58:44 -1370.662073 14.708207 BFGS: 852 18:58:44 -1370.952682 14.506253 BFGS: 853 18:58:44 -1371.241487 14.401103 BFGS: 854 18:58:44 -1371.531441 14.204839 BFGS: 855 18:58:44 -1371.820830 14.059217 BFGS: 856 18:58:45 -1372.110555 13.866405 BFGS: 857 18:58:45 -1372.399466 13.695289 BFGS: 858 18:58:45 -1372.687976 13.493668 BFGS: 859 18:58:45 -1372.974745 13.298753 BFGS: 860 18:58:45 -1373.261252 13.082175 BFGS: 861 18:58:45 -1373.545669 12.898130 BFGS: 862 18:58:46 -1373.829742 12.778862 BFGS: 863 18:58:46 -1374.112700 12.648986 BFGS: 864 18:58:46 -1374.395949 12.486893 BFGS: 865 18:58:46 -1374.679644 12.303834 BFGS: 866 18:58:46 -1374.964539 12.090023 BFGS: 867 18:58:46 -1375.251509 11.848890 BFGS: 868 18:58:47 -1375.541235 11.567368 BFGS: 869 18:58:47 -1375.834441 11.271616 BFGS: 870 18:58:47 -1376.133495 10.914847 BFGS: 871 18:58:47 -1376.440603 10.531955 BFGS: 872 18:58:47 -1376.759931 10.076353 BFGS: 873 18:58:48 -1377.094231 9.930086 BFGS: 874 18:58:48 -1377.451722 10.185316 BFGS: 875 18:58:48 -1377.831517 10.451380 BFGS: 876 18:58:48 -1378.237654 10.734651 BFGS: 877 18:58:48 -1378.688826 11.039069 BFGS: 878 18:58:48 -1379.216751 11.395182 BFGS: 879 18:58:49 -1379.874574 11.780401 BFGS: 880 18:58:49 -1380.519170 12.199522 BFGS: 881 18:58:49 -1380.948601 12.417721 BFGS: 882 18:58:49 -1381.311125 12.662345 BFGS: 883 18:58:49 -1381.644425 12.863770 BFGS: 884 18:58:49 -1381.965638 13.086690 BFGS: 885 18:58:50 -1382.289207 13.299866 BFGS: 886 18:58:50 -1382.615683 13.536357 BFGS: 887 18:58:50 -1382.956237 13.781240 BFGS: 888 18:58:50 -1383.307266 14.065874 BFGS: 889 18:58:50 -1383.678450 14.370852 BFGS: 890 18:58:50 -1384.064671 14.721622 BFGS: 891 18:58:51 -1384.472373 15.090924 BFGS: 892 18:58:51 -1384.898641 15.505938 BFGS: 893 18:58:51 -1385.346745 15.927788 BFGS: 894 18:58:51 -1385.817584 16.397388 BFGS: 895 18:58:51 -1386.319937 16.887394 BFGS: 896 18:58:51 -1386.849088 17.424268 BFGS: 897 18:58:52 -1387.418049 17.976550 BFGS: 898 18:58:52 -1388.017961 18.576110 BFGS: 899 18:58:52 -1388.663533 19.182163 BFGS: 900 18:58:52 -1389.333608 19.856126 BFGS: 901 18:58:52 -1390.020245 20.517580 BFGS: 902 18:58:52 -1390.661265 21.217970 BFGS: 903 18:58:53 -1391.271289 21.730146 BFGS: 904 18:58:53 -1391.864426 22.247659 BFGS: 905 18:58:53 -1392.585298 22.501347 BFGS: 906 18:58:53 -1393.448992 22.943646 BFGS: 907 18:58:53 -1394.869354 22.424112 BFGS: 908 18:58:53 -1396.770536 21.904155 BFGS: 909 18:58:54 -1397.597681 20.971401 BFGS: 910 18:58:54 -1398.513891 18.661586 BFGS: 911 18:58:54 -1399.173504 17.940671 BFGS: 912 18:58:54 -1399.920869 17.225260 BFGS: 913 18:58:54 -1400.708109 17.239553 BFGS: 914 18:58:54 -1401.526618 17.195176 BFGS: 915 18:58:55 -1402.371985 17.132595 BFGS: 916 18:58:55 -1403.242113 17.044483 BFGS: 917 18:58:55 -1404.085711 16.947151 BFGS: 918 18:58:55 -1404.908116 16.833161 BFGS: 919 18:58:55 -1405.717058 16.719224 BFGS: 920 18:58:55 -1406.515842 16.597962 BFGS: 921 18:58:56 -1407.309197 16.473906 BFGS: 922 18:58:56 -1408.103098 16.337838 BFGS: 923 18:58:56 -1408.904402 16.200384 BFGS: 924 18:58:56 -1409.720086 16.040622 BFGS: 925 18:58:56 -1410.562788 15.864097 BFGS: 926 18:58:56 -1411.439525 15.944714 BFGS: 927 18:58:57 -1412.364045 16.270425 BFGS: 928 18:58:57 -1413.358273 16.582547 BFGS: 929 18:58:57 -1414.441840 16.872544 BFGS: 930 18:58:57 -1415.643595 17.124393 BFGS: 931 18:58:57 -1416.810802 17.290319 BFGS: 932 18:58:57 -1417.898945 17.370362 BFGS: 933 18:58:58 -1418.937445 17.385079 BFGS: 934 18:58:58 -1419.952522 17.341591 BFGS: 935 18:58:58 -1420.953721 17.254205 BFGS: 936 18:58:58 -1421.950075 17.121606 BFGS: 937 18:58:58 -1422.941233 16.962020 BFGS: 938 18:58:59 -1423.936209 16.772303 BFGS: 939 18:58:59 -1424.929216 16.553320 BFGS: 940 18:58:59 -1425.925655 16.307507 BFGS: 941 18:58:59 -1426.919587 16.038578 BFGS: 942 18:58:59 -1427.913388 15.744614 BFGS: 943 18:58:59 -1428.899566 15.431087 BFGS: 944 18:59:00 -1429.887674 15.087194 BFGS: 945 18:59:00 -1430.863002 14.719409 BFGS: 946 18:59:00 -1431.836384 14.321550 BFGS: 947 18:59:00 -1432.802144 14.027610 BFGS: 948 18:59:00 -1433.769130 14.125270 BFGS: 949 18:59:01 -1434.732615 14.482945 BFGS: 950 18:59:01 -1435.713105 14.792174 BFGS: 951 18:59:01 -1436.682820 15.076390 BFGS: 952 18:59:01 -1437.691974 15.223765 BFGS: 953 18:59:01 -1438.684756 15.392135 BFGS: 954 18:59:01 -1439.759633 15.441525 BFGS: 955 18:59:02 -1440.778217 15.526180 BFGS: 956 18:59:02 -1441.933375 15.334911 BFGS: 957 18:59:02 -1443.017599 15.218427 BFGS: 958 18:59:02 -1444.231044 14.797709 BFGS: 959 18:59:02 -1445.445541 14.431536 BFGS: 960 18:59:02 -1446.643747 14.893307 BFGS: 961 18:59:03 -1447.720158 15.507644 BFGS: 962 18:59:03 -1448.623169 15.837340 BFGS: 963 18:59:03 -1449.493835 16.259942 BFGS: 964 18:59:03 -1450.281335 16.347149 BFGS: 965 18:59:03 -1451.098800 16.444074 BFGS: 966 18:59:03 -1451.885450 16.296108 BFGS: 967 18:59:04 -1452.726000 16.092197 BFGS: 968 18:59:04 -1453.579165 15.735844 BFGS: 969 18:59:04 -1454.285004 15.450011 BFGS: 970 18:59:04 -1454.940890 15.183330 BFGS: 971 18:59:04 -1455.582430 14.957850 BFGS: 972 18:59:05 -1456.254763 14.744322 BFGS: 973 18:59:05 -1456.943636 14.462559 BFGS: 974 18:59:05 -1457.686326 14.093759 BFGS: 975 18:59:05 -1458.428435 13.456739 BFGS: 976 18:59:05 -1459.220294 12.469768 BFGS: 977 18:59:05 -1459.898923 12.708052 BFGS: 978 18:59:06 -1460.631890 13.469134 BFGS: 979 18:59:06 -1461.271576 13.930947 BFGS: 980 18:59:06 -1462.052938 13.477455 BFGS: 981 18:59:06 -1462.905019 12.408628 BFGS: 982 18:59:06 -1463.797050 11.243981 BFGS: 983 18:59:06 -1464.719416 10.529700 BFGS: 984 18:59:07 -1465.480325 9.859924 BFGS: 985 18:59:07 -1466.116861 9.455553 BFGS: 986 18:59:07 -1466.610625 9.919525 BFGS: 987 18:59:07 -1467.088483 9.224125 BFGS: 988 18:59:07 -1467.669488 9.141528 BFGS: 989 18:59:08 -1468.166655 8.425474 BFGS: 990 18:59:08 -1468.570003 8.365508 BFGS: 991 18:59:08 -1468.789036 7.862851 BFGS: 992 18:59:08 -1469.104761 7.991755 BFGS: 993 18:59:08 -1469.325627 8.034020 BFGS: 994 18:59:08 -1469.584228 8.352166 BFGS: 995 18:59:09 -1469.898423 8.426538 BFGS: 996 18:59:09 -1470.284300 7.977322 BFGS: 997 18:59:09 -1470.574501 7.059473 BFGS: 998 18:59:09 -1470.778953 6.029136 BFGS: 999 18:59:09 -1470.935834 5.514833 BFGS: 1000 18:59:09 -1471.044875 4.968393 BFGS: 1001 18:59:10 -1471.167763 4.663808 BFGS: 1002 18:59:10 -1471.307592 5.320671 BFGS: 1003 18:59:10 -1471.412040 5.473870 BFGS: 1004 18:59:10 -1471.558029 5.677182 BFGS: 1005 18:59:10 -1471.666163 5.698533 BFGS: 1006 18:59:11 -1471.755852 5.525935 BFGS: 1007 18:59:11 -1471.832036 5.398844 BFGS: 1008 18:59:11 -1471.962284 5.032346 BFGS: 1009 18:59:11 -1472.148204 5.502423 BFGS: 1010 18:59:11 -1472.366116 6.497204 BFGS: 1011 18:59:11 -1472.493026 6.747787 BFGS: 1012 18:59:12 -1472.547616 6.593911 BFGS: 1013 18:59:12 -1472.579383 6.351416 BFGS: 1014 18:59:12 -1472.614189 6.147782 BFGS: 1015 18:59:12 -1472.645069 6.095295 BFGS: 1016 18:59:12 -1472.672232 6.089999 BFGS: 1017 18:59:13 -1472.700135 6.092762 BFGS: 1018 18:59:13 -1472.741941 5.949888 BFGS: 1019 18:59:13 -1472.813110 5.636714 BFGS: 1020 18:59:13 -1472.925906 5.078364 BFGS: 1021 18:59:13 -1473.084711 4.778169 BFGS: 1022 18:59:13 -1473.259439 4.822314 BFGS: 1023 18:59:14 -1473.401804 4.687107 BFGS: 1024 18:59:14 -1473.484206 4.946093 BFGS: 1025 18:59:14 -1473.529022 5.054128 BFGS: 1026 18:59:14 -1473.560049 5.201925 BFGS: 1027 18:59:14 -1473.592080 5.519010 BFGS: 1028 18:59:15 -1473.630180 5.734173 BFGS: 1029 18:59:15 -1473.680634 5.881366 BFGS: 1030 18:59:15 -1473.742537 5.821289 BFGS: 1031 18:59:15 -1473.824049 5.621883 BFGS: 1032 18:59:15 -1473.922045 5.283074 BFGS: 1033 18:59:15 -1474.034030 4.960023 BFGS: 1034 18:59:16 -1474.163893 5.687272 BFGS: 1035 18:59:16 -1474.338065 6.485888 BFGS: 1036 18:59:16 -1474.592815 6.931412 BFGS: 1037 18:59:16 -1474.987822 7.184815 BFGS: 1038 18:59:16 -1475.493594 8.997639 BFGS: 1039 18:59:17 -1475.960239 10.782622 BFGS: 1040 18:59:17 -1476.339184 10.768198 BFGS: 1041 18:59:17 -1476.652983 10.321701 BFGS: 1042 18:59:17 -1476.922471 8.737579 BFGS: 1043 18:59:17 -1477.186366 8.367730 BFGS: 1044 18:59:17 -1477.571927 9.232861 BFGS: 1045 18:59:18 -1477.958560 9.052627 BFGS: 1046 18:59:18 -1478.404931 8.786238 BFGS: 1047 18:59:18 -1478.828261 8.895626 BFGS: 1048 18:59:18 -1479.324619 8.891144 BFGS: 1049 18:59:18 -1479.792452 8.988108 BFGS: 1050 18:59:19 -1480.331784 9.156340 BFGS: 1051 18:59:19 -1480.845096 9.583292 BFGS: 1052 18:59:19 -1481.429664 9.964947 BFGS: 1053 18:59:19 -1481.993510 10.296524 BFGS: 1054 18:59:19 -1482.620107 10.584927 BFGS: 1055 18:59:19 -1483.220083 10.791881 BFGS: 1056 18:59:20 -1483.891079 10.971675 BFGS: 1057 18:59:20 -1484.494263 10.994665 BFGS: 1058 18:59:20 -1485.229099 11.082561 BFGS: 1059 18:59:20 -1485.776760 10.905239 BFGS: 1060 18:59:20 -1486.460408 10.783097 BFGS: 1061 18:59:21 -1487.016592 10.476849 BFGS: 1062 18:59:21 -1487.586059 10.094625 BFGS: 1063 18:59:21 -1488.103129 9.628354 BFGS: 1064 18:59:21 -1488.508842 9.165488 BFGS: 1065 18:59:21 -1488.925327 8.481081 BFGS: 1066 18:59:21 -1489.272048 8.045457 BFGS: 1067 18:59:22 -1489.477239 8.369151 BFGS: 1068 18:59:22 -1489.590803 8.166878 BFGS: 1069 18:59:22 -1489.704949 7.976914 BFGS: 1070 18:59:22 -1489.769612 7.724519 BFGS: 1071 18:59:22 -1489.840966 7.722686 BFGS: 1072 18:59:23 -1490.035719 7.620426 BFGS: 1073 18:59:23 -1490.261888 7.739234 BFGS: 1074 18:59:23 -1490.516045 7.886224 BFGS: 1075 18:59:23 -1490.872834 8.418858 BFGS: 1076 18:59:23 -1491.258940 9.753543 BFGS: 1077 18:59:23 -1491.732849 11.002066 BFGS: 1078 18:59:24 -1492.223667 12.138865 BFGS: 1079 18:59:24 -1492.760049 13.020732 BFGS: 1080 18:59:24 -1493.301497 13.646984 BFGS: 1081 18:59:24 -1493.863449 13.975358 BFGS: 1082 18:59:24 -1494.419502 14.055631 BFGS: 1083 18:59:25 -1494.977666 13.851286 BFGS: 1084 18:59:25 -1495.521740 13.386770 BFGS: 1085 18:59:25 -1496.049613 12.621237 BFGS: 1086 18:59:25 -1496.537266 11.566974 BFGS: 1087 18:59:25 -1496.963079 10.169599 BFGS: 1088 18:59:25 -1497.304169 8.311672 BFGS: 1089 18:59:26 -1497.477118 7.796191 BFGS: 1090 18:59:26 -1497.548722 7.407210 BFGS: 1091 18:59:26 -1497.630839 7.026938 BFGS: 1092 18:59:26 -1497.676064 6.938724 BFGS: 1093 18:59:26 -1497.731106 6.913708 BFGS: 1094 18:59:27 -1497.851542 6.762263 BFGS: 1095 18:59:27 -1498.042259 6.451997 BFGS: 1096 18:59:27 -1498.449068 6.498165 BFGS: 1097 18:59:27 -1499.011786 6.941259 BFGS: 1098 18:59:27 -1499.542000 9.182098 BFGS: 1099 18:59:28 -1499.815514 9.325120 BFGS: 1100 18:59:28 -1499.890945 8.710835 BFGS: 1101 18:59:28 -1499.912206 7.933259 BFGS: 1102 18:59:28 -1499.927006 7.709759 BFGS: 1103 18:59:28 -1499.945851 7.605566 BFGS: 1104 18:59:28 -1499.965023 7.654478 BFGS: 1105 18:59:29 -1500.008789 7.704304 BFGS: 1106 18:59:29 -1500.099943 7.850678 BFGS: 1107 18:59:29 -1500.306167 7.727299 BFGS: 1108 18:59:29 -1500.688085 7.570893 BFGS: 1109 18:59:29 -1501.145185 6.921946 BFGS: 1110 18:59:30 -1501.724701 6.403384 BFGS: 1111 18:59:30 -1502.420455 6.389019 BFGS: 1112 18:59:30 -1503.312597 6.073698 BFGS: 1113 18:59:30 -1504.334108 5.432192 BFGS: 1114 18:59:30 -1504.778942 5.482191 BFGS: 1115 18:59:31 -1504.929476 4.677819 BFGS: 1116 18:59:31 -1504.988600 4.338648 BFGS: 1117 18:59:31 -1505.008401 4.217709 BFGS: 1118 18:59:31 -1505.015349 4.271026 BFGS: 1119 18:59:31 -1505.024332 4.289425 BFGS: 1120 18:59:31 -1505.030246 4.340269 BFGS: 1121 18:59:32 -1505.039253 4.447281 BFGS: 1122 18:59:32 -1505.050912 4.537138 BFGS: 1123 18:59:32 -1505.075856 4.654309 BFGS: 1124 18:59:32 -1505.127673 4.708937 BFGS: 1125 18:59:32 -1505.202957 4.778880 BFGS: 1126 18:59:33 -1505.298035 4.983661 BFGS: 1127 18:59:33 -1505.404947 5.152431 BFGS: 1128 18:59:33 -1505.519410 5.275399 BFGS: 1129 18:59:33 -1505.632908 5.371948 BFGS: 1130 18:59:33 -1505.746670 5.440649 BFGS: 1131 18:59:34 -1505.866884 5.570616 BFGS: 1132 18:59:34 -1505.997202 5.732573 BFGS: 1133 18:59:34 -1506.166194 5.760105 BFGS: 1134 18:59:34 -1506.354585 5.801022 BFGS: 1135 18:59:34 -1506.575723 5.775991 BFGS: 1136 18:59:34 -1506.813988 5.718384 BFGS: 1137 18:59:35 -1507.088220 5.582893 BFGS: 1138 18:59:35 -1507.357539 5.476424 BFGS: 1139 18:59:35 -1507.672617 5.225052 BFGS: 1140 18:59:35 -1507.962651 5.052286 BFGS: 1141 18:59:35 -1508.304335 4.677934 BFGS: 1142 18:59:36 -1508.597303 4.458633 BFGS: 1143 18:59:36 -1508.951770 3.940027 BFGS: 1144 18:59:36 -1509.217513 3.716596 BFGS: 1145 18:59:36 -1509.530395 3.330102 BFGS: 1146 18:59:36 -1509.756569 3.078704 BFGS: 1147 18:59:37 -1510.014350 2.695364 BFGS: 1148 18:59:37 -1510.192332 2.519234 BFGS: 1149 18:59:37 -1510.354010 2.387100 BFGS: 1150 18:59:37 -1510.482332 2.363673 BFGS: 1151 18:59:37 -1510.579111 2.285882 BFGS: 1152 18:59:38 -1510.671802 2.166301 BFGS: 1153 18:59:38 -1510.738033 2.075249 BFGS: 1154 18:59:38 -1510.809071 1.872780 BFGS: 1155 18:59:38 -1510.865132 1.746582 BFGS: 1156 18:59:38 -1510.925225 1.635449 BFGS: 1157 18:59:38 -1510.974668 1.644490 BFGS: 1158 18:59:39 -1511.024500 1.653498 BFGS: 1159 18:59:39 -1511.064095 1.651370 BFGS: 1160 18:59:39 -1511.099153 1.658635 BFGS: 1161 18:59:39 -1511.123359 1.687239 BFGS: 1162 18:59:39 -1511.134052 1.664941 BFGS: 1163 18:59:40 -1511.141126 1.677120 BFGS: 1164 18:59:40 -1511.147108 1.544280 BFGS: 1165 18:59:40 -1511.150351 1.478116 BFGS: 1166 18:59:40 -1511.151816 1.396809 BFGS: 1167 18:59:40 -1511.153232 1.360407 BFGS: 1168 18:59:41 -1511.154212 1.351019 BFGS: 1169 18:59:41 -1511.154882 1.357857 BFGS: 1170 18:59:41 -1511.155359 1.369273 BFGS: 1171 18:59:41 -1511.155716 1.365155 BFGS: 1172 18:59:41 -1511.156012 1.360706 BFGS: 1173 18:59:41 -1511.156235 1.345166 BFGS: 1174 18:59:42 -1511.156449 1.331886 BFGS: 1175 18:59:42 -1511.156746 1.320221 BFGS: 1176 18:59:42 -1511.157332 1.294461 BFGS: 1177 18:59:42 -1511.158497 1.282129 BFGS: 1178 18:59:42 -1511.160994 1.223986 BFGS: 1179 18:59:43 -1511.166220 1.202254 BFGS: 1180 18:59:43 -1511.175336 1.070348 BFGS: 1181 18:59:43 -1511.187797 1.042999 BFGS: 1182 18:59:43 -1511.197381 0.895453 BFGS: 1183 18:59:43 -1511.201730 0.953763 BFGS: 1184 18:59:44 -1511.202839 0.880455 BFGS: 1185 18:59:44 -1511.203159 0.861869 BFGS: 1186 18:59:44 -1511.203330 0.852061 BFGS: 1187 18:59:44 -1511.203448 0.829445 BFGS: 1188 18:59:44 -1511.203511 0.826507 BFGS: 1189 18:59:44 -1511.203705 0.832587 BFGS: 1190 18:59:45 -1511.203812 0.839311 BFGS: 1191 18:59:45 -1511.204347 0.858105 BFGS: 1192 18:59:45 -1511.205290 0.878223 BFGS: 1193 18:59:45 -1511.207801 0.910188 BFGS: 1194 18:59:45 -1511.214162 0.961952 BFGS: 1195 18:59:46 -1511.226506 1.014921 BFGS: 1196 18:59:46 -1511.240722 1.133831 BFGS: 1197 18:59:46 -1511.255901 1.266448 BFGS: 1198 18:59:46 -1511.273217 1.393024 BFGS: 1199 18:59:46 -1511.292569 1.506572 BFGS: 1200 18:59:47 -1511.313108 1.602960 BFGS: 1201 18:59:47 -1511.334574 1.685549 BFGS: 1202 18:59:47 -1511.358552 1.766509 BFGS: 1203 18:59:47 -1511.383318 1.824608 BFGS: 1204 18:59:47 -1511.411652 1.878264 BFGS: 1205 18:59:48 -1511.440247 1.870184 BFGS: 1206 18:59:48 -1511.471468 1.817829 BFGS: 1207 18:59:48 -1511.501431 1.598959 BFGS: 1208 18:59:48 -1511.521330 1.221612 BFGS: 1209 18:59:48 -1511.527907 0.824731 BFGS: 1210 18:59:48 -1511.531580 0.791367 BFGS: 1211 18:59:49 -1511.532298 0.764354 BFGS: 1212 18:59:49 -1511.532396 0.755591 BFGS: 1213 18:59:49 -1511.532443 0.746730 BFGS: 1214 18:59:49 -1511.532480 0.739979 BFGS: 1215 18:59:49 -1511.532498 0.732294 BFGS: 1216 18:59:50 -1511.532508 0.735216 BFGS: 1217 18:59:50 -1511.532535 0.737994 BFGS: 1218 18:59:50 -1511.532545 0.742257 BFGS: 1219 18:59:50 -1511.532579 0.744883 BFGS: 1220 18:59:50 -1511.532638 0.750470 BFGS: 1221 18:59:51 -1511.532779 0.749473 BFGS: 1222 18:59:51 -1511.533007 0.752051 BFGS: 1223 18:59:51 -1511.534990 0.775216 BFGS: 1224 18:59:51 -1511.538319 0.800826 BFGS: 1225 18:59:51 -1511.547177 0.827632 BFGS: 1226 18:59:52 -1511.562379 0.777854 BFGS: 1227 18:59:52 -1511.583987 0.671554 BFGS: 1228 18:59:52 -1511.598326 0.323296 BFGS: 1229 18:59:52 -1511.602279 0.116146 BFGS: 1230 18:59:52 -1511.602729 0.050745 BFGS: 1231 18:59:53 -1511.602806 0.029645 BFGS: 1232 18:59:53 -1511.602840 0.011652 BFGS: 1233 18:59:53 -1511.602847 0.005318 BFGS: 1234 18:59:53 -1511.602848 0.002169 BFGS: 1235 18:59:53 -1511.602848 0.000845 BFGS: 1236 18:59:53 -1511.602848 0.000203 BFGS: 1237 18:59:54 -1511.602848 0.000078 BFGS: 1238 18:59:54 -1511.602848 0.000036 BFGS: 1239 18:59:54 -1511.602848 0.000014 BFGS: 1240 18:59:54 -1511.602848 0.000003 BFGS: 1241 18:59:54 -1511.602848 0.000003 BFGS: 1242 18:59:55 -1511.602848 0.000002 BFGS: 1243 18:59:55 -1511.602848 0.000001 BFGS: 1244 18:59:55 -1511.602848 0.000001 BFGS: 1245 18:59:55 -1511.602848 0.000000 BFGS: 1246 18:59:55 -1511.602848 0.000000 BFGS: 1247 18:59:56 -1511.602848 0.000000 BFGS: 1248 18:59:56 -1511.602848 0.000000 BFGS: 1249 18:59:56 -1511.602848 0.000000 BFGS: 1250 18:59:56 -1511.602848 0.000000 BFGS: 1251 18:59:56 -1511.602848 0.000000 BFGS: 1252 18:59:57 -1511.602848 0.000000 BFGS: 1253 18:59:57 -1511.602848 0.000000 Minimization converged after 1253 steps. Maximum force component: 1.4454884443050584e-08 eV/Angstrom Maximum stress component: 1.0056859040658888e-09 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'B', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.18129481 0.28756262 0.21902073] [0.81870519 0.78756262 0.28097927] [0.81870519 0.71243738 0.78097927] [0.18129481 0.21243738 0.71902073] [0.63741302 0.18708725 0.07115461] [0.36258698 0.68708725 0.42884539] [0.36258698 0.81291275 0.92884539] [0.63741302 0.31291275 0.57115461] [0.80524327 0.17034058 0.24320508] [0.19475673 0.67034058 0.25679492] [0.19475673 0.82965942 0.75679492] [0.80524327 0.32965942 0.74320508] [0.46888624 0.88344455 0.2672276 ] [0.53111376 0.38344455 0.2327724 ] [0.53111376 0.11655545 0.7327724 ] [0.46888624 0.61655545 0.7672276 ] [0.29853875 0.05499404 0.26187921] [0.70146125 0.55499404 0.23812079] [0.70146125 0.94500596 0.73812079] [0.29853875 0.44500596 0.76187921] [0.57090646 0.99070111 0.73230974] [0.42909354 0.49070111 0.76769026] [0.42909354 0.00929889 0.26769026] [0.57090646 0.50929889 0.23230974] [0.21785265 0.05906767 0.90882993] [0.78214735 0.55906767 0.59117007] [0.78214735 0.94093233 0.09117007] [0.21785265 0.44093233 0.40882993] [0.85598289 0.40852066 0.06049149] [0.14401711 0.90852066 0.43950851] [0.14401711 0.59147934 0.93950851] [0.85598289 0.09147934 0.56049149] [0.22499953 0.17278084 0.44165841] [0.77500047 0.67278084 0.05834159] [0.77500047 0.82721916 0.55834159] [0.22499953 0.32721916 0.94165841] [0.50565506 0.90784355 0.08033027] [0.49434494 0.40784355 0.41966973] [0.49434494 0.09215645 0.91966973] [0.50565506 0.59215645 0.58033027] [0.09572892 0.99012812 0.24936563] [0.90427108 0.49012812 0.25063437] [0.90427108 0.00987188 0.75063437] [0.09572892 0.50987188 0.74936563] [0.57747373 0.01733468 0.5601093 ] [0.42252627 0.51733468 0.9398907 ] [0.42252627 0.98266532 0.4398907 ] [0.57747373 0.48266532 0.0601093 ]] cellpar = Cell([[4.376452749318034, 1.55798173758421e-17, 0.5378382920931422], [9.808456952040714e-17, 4.783549673523682, -9.552261895959659e-18], [3.8240657289248725, -2.509680175278825e-17, 4.184216484716873]]) forces = [[-2.64016788e-09 -6.25284296e-09 3.29313590e-09] [ 2.64016788e-09 -6.25284296e-09 -3.29313590e-09] [ 2.64016788e-09 6.25284296e-09 -3.29313590e-09] [-2.64016788e-09 6.25284296e-09 3.29313590e-09] [ 6.01976441e-10 -5.67487606e-09 4.42537788e-09] [-6.01976441e-10 -5.67487606e-09 -4.42537788e-09] [-6.01976441e-10 5.67487606e-09 -4.42537788e-09] [ 6.01976441e-10 5.67487606e-09 4.42537788e-09] [ 1.09369521e-08 1.95251516e-09 -1.08379224e-08] [-1.09369521e-08 1.95251516e-09 1.08379224e-08] [-1.09369521e-08 -1.95251516e-09 1.08379224e-08] [ 1.09369521e-08 -1.95251516e-09 -1.08379224e-08] [-1.44548844e-08 6.09725929e-09 2.31521368e-09] [ 1.44548844e-08 6.09725929e-09 -2.31521368e-09] [ 1.44548844e-08 -6.09725929e-09 -2.31521368e-09] [-1.44548844e-08 -6.09725929e-09 2.31521368e-09] [-3.44150068e-09 2.97694083e-09 -6.34580864e-10] [ 3.44150068e-09 2.97694083e-09 6.34580864e-10] [ 3.44150068e-09 -2.97694083e-09 6.34580864e-10] [-3.44150068e-09 -2.97694083e-09 -6.34580864e-10] [-1.15101774e-08 2.84224086e-09 5.87526106e-09] [ 1.15101774e-08 2.84224086e-09 -5.87526106e-09] [ 1.15101774e-08 -2.84224086e-09 -5.87526106e-09] [-1.15101774e-08 -2.84224086e-09 5.87526106e-09] [-1.15529030e-08 2.36682440e-09 1.06151829e-08] [ 1.15529030e-08 2.36682440e-09 -1.06151829e-08] [ 1.15529030e-08 -2.36682440e-09 -1.06151829e-08] [-1.15529030e-08 -2.36682440e-09 1.06151829e-08] [-7.32657638e-09 -2.08762803e-09 -3.31495366e-09] [ 7.32657638e-09 -2.08762803e-09 3.31495366e-09] [ 7.32657638e-09 2.08762803e-09 3.31495366e-09] [-7.32657638e-09 2.08762803e-09 -3.31495366e-09] [-6.29406716e-09 6.72018471e-09 4.94092278e-09] [ 6.29406716e-09 6.72018471e-09 -4.94092278e-09] [ 6.29406716e-09 -6.72018471e-09 -4.94092278e-09] [-6.29406716e-09 -6.72018471e-09 4.94092278e-09] [ 3.62610474e-09 -2.98190975e-10 6.41054024e-09] [-3.62610474e-09 -2.98190975e-10 -6.41054024e-09] [-3.62610474e-09 2.98190975e-10 -6.41054024e-09] [ 3.62610474e-09 2.98190975e-10 6.41054024e-09] [-7.13317370e-09 2.75829997e-09 -1.65962854e-09] [ 7.13317370e-09 2.75829997e-09 1.65962854e-09] [ 7.13317370e-09 -2.75829997e-09 1.65962854e-09] [-7.13317370e-09 -2.75829997e-09 -1.65962854e-09] [-1.96721919e-09 4.96515849e-09 7.70416391e-10] [ 1.96721919e-09 4.96515849e-09 -7.70416391e-10] [ 1.96721919e-09 -4.96515849e-09 -7.70416391e-10] [-1.96721919e-09 -4.96515849e-09 7.70416391e-10]] stress = [ 1.66730870e-10 1.00568590e-09 5.55079258e-10 -1.40996604e-26 -4.50981537e-11 1.68073144e-26] energy per atom = -31.4917259997725 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0