element(s): ['Al', 'Ca', 'O'] AFLOW prototype label: A2BC4_mP56_14_4e_2e_8e 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', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.5588', '0.69305985', '0.8263608', '140.3881', '0.2937267', '0.60730344', '0.17779651', '0.6950723', '0.59731426', '0.58475805', '0.82094708', '0.44280565', '0.45980482', '0.22439332', '0.44111634', '0.85637145', '0.53301962', '0.75591916', '0.17722301', '0.99526042', '0.78267701', '0.6210652', '0.34744196', '0.56730974', '0.064870676', '0.72953192', '0.57680821', '0.26692889', '0.15250204', '0.75695644', '0.080651764', '0.48830258', '0.65704444', '0.42728962', '0.2156789', '0.43395531', '0.17670751', '0.71425769', '0.42539828', '0.51100568', '0.76859391', '0.75613842', '0.56110163', '0.020236154', '0.51464134', '0.68953874'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] representative atom coordinates = [[0.7062733 0.60730344 0.11593019] [0.3049277 0.59731426 0.11031425] [0.17905292 0.44280565 0.36114226] [0.77560668 0.44111634 0.36802187] [0.46698038 0.75591916 0.35579661] [0.00473958 0.78267701 0.37419522] [0.65255804 0.56730974 0.28257128] [0.27046808 0.57680821 0.46260303] [0.84749796 0.75695644 0.07185028] [0.51169742 0.65704444 0.06101296] [0.7843211 0.43395531 0.03897139] [0.28574231 0.42539828 0.20325201] [0.23140609 0.75613842 0.20749228] [0.97976385 0.51464134 0.33069741]] spacegroup = 14 cell = [[8.0381, 0, 0], [0, 8.704, 0], [0.90770480732815, 0, 10.338328278438]] ========================================= Step Time Energy fmax BFGS: 0 16:03:49 -376.893378 13.6288 BFGS: 1 16:03:49 -390.380326 9.1987 BFGS: 2 16:03:49 -397.599275 8.3407 BFGS: 3 16:03:49 -403.130204 4.6204 BFGS: 4 16:03:49 -406.859147 3.5712 BFGS: 5 16:03:49 -409.694116 3.4352 BFGS: 6 16:03:50 -412.101290 3.8506 BFGS: 7 16:03:50 -414.204448 4.3344 BFGS: 8 16:03:50 -415.861259 4.6490 BFGS: 9 16:03:50 -417.168043 4.8753 BFGS: 10 16:03:51 -418.255818 5.0271 BFGS: 11 16:03:51 -419.229602 5.1326 BFGS: 12 16:03:51 -420.155678 5.2374 BFGS: 13 16:03:51 -421.062132 5.3227 BFGS: 14 16:03:51 -421.964787 5.3985 BFGS: 15 16:03:51 -422.869200 5.4680 BFGS: 16 16:03:51 -423.779493 5.5345 BFGS: 17 16:03:51 -424.697448 5.5959 BFGS: 18 16:03:51 -425.623605 5.6587 BFGS: 19 16:03:51 -426.556727 5.7182 BFGS: 20 16:03:51 -427.494792 5.7776 BFGS: 21 16:03:52 -428.435134 5.8347 BFGS: 22 16:03:52 -429.376952 5.8927 BFGS: 23 16:03:52 -430.319720 5.9492 BFGS: 24 16:03:52 -431.262217 6.0058 BFGS: 25 16:03:52 -432.202558 6.0595 BFGS: 26 16:03:52 -433.139415 6.1205 BFGS: 27 16:03:52 -434.072657 6.1894 BFGS: 28 16:03:52 -435.001922 6.4655 BFGS: 29 16:03:52 -435.928090 6.8813 BFGS: 30 16:03:52 -436.851086 7.3133 BFGS: 31 16:03:52 -437.771614 7.7629 BFGS: 32 16:03:52 -438.691301 8.2310 BFGS: 33 16:03:52 -439.610867 8.7179 BFGS: 34 16:03:52 -440.530511 9.2263 BFGS: 35 16:03:52 -441.450247 9.7539 BFGS: 36 16:03:52 -442.368294 10.2986 BFGS: 37 16:03:52 -443.283052 10.8667 BFGS: 38 16:03:53 -444.186722 11.4491 BFGS: 39 16:03:53 -445.051979 12.0558 BFGS: 40 16:03:53 -445.864771 12.6452 BFGS: 41 16:03:53 -446.629836 13.2563 BFGS: 42 16:03:53 -447.369536 13.8007 BFGS: 43 16:03:53 -448.097709 14.3750 BFGS: 44 16:03:53 -448.828155 14.8348 BFGS: 45 16:03:53 -449.561930 15.3676 BFGS: 46 16:03:53 -450.307504 15.7417 BFGS: 47 16:03:53 -451.060767 16.2298 BFGS: 48 16:03:53 -451.827898 16.5690 BFGS: 49 16:03:53 -452.603651 16.9900 BFGS: 50 16:03:53 -453.388900 17.3514 BFGS: 51 16:03:53 -454.179523 17.7352 BFGS: 52 16:03:53 -454.971151 18.1218 BFGS: 53 16:03:53 -455.760011 18.5185 BFGS: 54 16:03:54 -456.538373 18.9338 BFGS: 55 16:03:54 -457.293882 19.3758 BFGS: 56 16:03:54 -458.016520 19.8304 BFGS: 57 16:03:54 -458.711453 20.2885 BFGS: 58 16:03:54 -459.400609 20.7110 BFGS: 59 16:03:54 -460.094463 21.0972 BFGS: 60 16:03:54 -460.794403 21.4444 BFGS: 61 16:03:54 -461.499113 21.7623 BFGS: 62 16:03:54 -462.207728 22.0672 BFGS: 63 16:03:54 -462.920596 22.3524 BFGS: 64 16:03:54 -463.635772 22.6418 BFGS: 65 16:03:54 -464.349203 22.9400 BFGS: 66 16:03:54 -465.062366 23.2448 BFGS: 67 16:03:55 -465.777240 23.5585 BFGS: 68 16:03:55 -466.494965 23.8855 BFGS: 69 16:03:55 -467.217602 24.2226 BFGS: 70 16:03:55 -467.946449 24.5764 BFGS: 71 16:03:55 -468.685276 24.9441 BFGS: 72 16:03:55 -469.438768 25.3361 BFGS: 73 16:03:55 -470.215068 25.7454 BFGS: 74 16:03:55 -471.024331 26.1882 BFGS: 75 16:03:55 -471.885654 26.6525 BFGS: 76 16:03:55 -472.832029 27.1738 BFGS: 77 16:03:55 -473.920630 27.7194 BFGS: 78 16:03:56 -475.225751 28.3715 BFGS: 79 16:03:56 -476.754083 28.9985 BFGS: 80 16:03:56 -478.392322 29.6903 BFGS: 81 16:03:56 -479.629081 30.6555 BFGS: 82 16:03:56 -481.099003 31.0616 BFGS: 83 16:03:56 -482.853090 31.4212 BFGS: 84 16:03:56 -484.545936 31.5519 BFGS: 85 16:03:56 -486.338177 32.0258 BFGS: 86 16:03:57 -488.612837 31.1549 BFGS: 87 16:03:57 -490.909611 30.4906 BFGS: 88 16:03:57 -492.762388 30.1734 BFGS: 89 16:03:57 -494.935053 31.4871 BFGS: 90 16:03:58 -496.960298 31.7840 BFGS: 91 16:03:58 -499.069484 32.0470 BFGS: 92 16:03:58 -501.197427 32.1070 BFGS: 93 16:03:58 -503.332052 32.2420 BFGS: 94 16:03:58 -505.619739 32.4132 BFGS: 95 16:03:58 -507.854587 32.7459 BFGS: 96 16:03:59 -509.756260 32.9567 BFGS: 97 16:03:59 -511.562813 32.9879 BFGS: 98 16:03:59 -513.337083 33.0311 BFGS: 99 16:03:59 -515.077843 33.0601 BFGS: 100 16:03:59 -516.831161 33.0248 BFGS: 101 16:04:00 -518.619427 32.8796 BFGS: 102 16:04:00 -520.448539 32.6484 BFGS: 103 16:04:00 -522.285563 32.3694 BFGS: 104 16:04:00 -524.100579 32.1000 BFGS: 105 16:04:01 -525.884563 31.8278 BFGS: 106 16:04:01 -527.630230 31.5709 BFGS: 107 16:04:01 -529.339600 31.3128 BFGS: 108 16:04:01 -531.020439 31.0555 BFGS: 109 16:04:01 -532.681604 30.7971 BFGS: 110 16:04:02 -534.332947 30.5175 BFGS: 111 16:04:02 -535.973257 30.2307 BFGS: 112 16:04:02 -537.605660 29.8787 BFGS: 113 16:04:02 -539.225756 29.5516 BFGS: 114 16:04:02 -540.843783 29.1347 BFGS: 115 16:04:03 -542.465955 28.7518 BFGS: 116 16:04:03 -544.092448 28.2945 BFGS: 117 16:04:03 -545.734140 27.8526 BFGS: 118 16:04:03 -547.385720 27.3682 BFGS: 119 16:04:03 -549.053292 26.8878 BFGS: 120 16:04:04 -550.735646 26.3830 BFGS: 121 16:04:04 -552.434371 25.8801 BFGS: 122 16:04:04 -554.143104 25.3691 BFGS: 123 16:04:04 -555.863906 24.8530 BFGS: 124 16:04:04 -557.591463 24.3303 BFGS: 125 16:04:04 -559.618592 23.7617 BFGS: 126 16:04:05 -561.682184 23.1916 BFGS: 127 16:04:05 -563.713756 22.6066 BFGS: 128 16:04:05 -565.834695 21.9625 BFGS: 129 16:04:05 -567.972309 21.2888 BFGS: 130 16:04:05 -570.044122 20.5965 BFGS: 131 16:04:05 -572.039550 19.8864 BFGS: 132 16:04:05 -573.968414 19.1906 BFGS: 133 16:04:06 -575.835566 18.4658 BFGS: 134 16:04:06 -577.675571 17.8237 BFGS: 135 16:04:06 -579.478345 17.1472 BFGS: 136 16:04:06 -581.307727 16.5882 BFGS: 137 16:04:07 -583.103825 16.0074 BFGS: 138 16:04:07 -584.937985 15.5459 BFGS: 139 16:04:07 -586.726852 15.0600 BFGS: 140 16:04:07 -588.524860 14.6584 BFGS: 141 16:04:07 -590.294718 14.2582 BFGS: 142 16:04:08 -592.054589 13.9089 BFGS: 143 16:04:08 -593.800805 13.5588 BFGS: 144 16:04:08 -595.536082 13.2517 BFGS: 145 16:04:08 -597.273426 12.9300 BFGS: 146 16:04:08 -599.006054 12.6467 BFGS: 147 16:04:09 -600.751379 12.3464 BFGS: 148 16:04:09 -602.502394 12.0717 BFGS: 149 16:04:09 -604.276310 11.7861 BFGS: 150 16:04:09 -606.066886 11.5133 BFGS: 151 16:04:09 -607.884867 11.2344 BFGS: 152 16:04:09 -609.726788 10.9641 BFGS: 153 16:04:10 -611.601537 10.6950 BFGS: 154 16:04:10 -613.503109 10.4284 BFGS: 155 16:04:10 -615.437075 10.1801 BFGS: 156 16:04:10 -617.397803 9.9254 BFGS: 157 16:04:10 -619.390866 9.7121 BFGS: 158 16:04:10 -621.398822 9.4904 BFGS: 159 16:04:11 -623.397806 9.3326 BFGS: 160 16:04:11 -625.389333 9.1757 BFGS: 161 16:04:11 -627.387267 9.1141 BFGS: 162 16:04:11 -629.398643 9.1207 BFGS: 163 16:04:11 -631.431927 9.1172 BFGS: 164 16:04:12 -633.477226 9.1135 BFGS: 165 16:04:12 -635.506882 9.1056 BFGS: 166 16:04:12 -637.467234 9.1184 BFGS: 167 16:04:12 -639.356924 9.1355 BFGS: 168 16:04:12 -641.241087 9.1059 BFGS: 169 16:04:12 -643.149332 9.0733 BFGS: 170 16:04:13 -645.027017 9.2828 BFGS: 171 16:04:13 -646.839505 9.6978 BFGS: 172 16:04:13 -648.627944 10.0861 BFGS: 173 16:04:13 -650.383138 10.4955 BFGS: 174 16:04:13 -652.119302 10.9573 BFGS: 175 16:04:13 -653.864537 11.4085 BFGS: 176 16:04:14 -655.593333 11.9284 BFGS: 177 16:04:14 -657.397970 12.3930 BFGS: 178 16:04:14 -659.237046 12.8931 BFGS: 179 16:04:14 -661.116027 13.1010 BFGS: 180 16:04:14 -663.020835 13.4427 BFGS: 181 16:04:14 -665.016819 13.6707 BFGS: 182 16:04:15 -666.953696 13.7357 BFGS: 183 16:04:15 -668.742504 13.7766 BFGS: 184 16:04:15 -670.448790 13.8648 BFGS: 185 16:04:15 -672.108793 13.9777 BFGS: 186 16:04:15 -673.743202 14.0891 BFGS: 187 16:04:16 -675.360296 14.1795 BFGS: 188 16:04:16 -676.962960 14.2467 BFGS: 189 16:04:16 -678.547741 14.2867 BFGS: 190 16:04:16 -680.102432 14.3114 BFGS: 191 16:04:16 -681.641430 14.3695 BFGS: 192 16:04:17 -683.139774 14.4389 BFGS: 193 16:04:17 -684.657542 14.6212 BFGS: 194 16:04:17 -686.115574 14.5943 BFGS: 195 16:04:17 -687.635991 14.5893 BFGS: 196 16:04:17 -689.071147 14.6109 BFGS: 197 16:04:18 -690.631374 14.6167 BFGS: 198 16:04:18 -692.129413 14.8528 BFGS: 199 16:04:18 -693.617292 14.9796 BFGS: 200 16:04:18 -695.078420 15.0752 BFGS: 201 16:04:18 -696.529837 15.2085 BFGS: 202 16:04:19 -697.965941 15.2668 BFGS: 203 16:04:19 -699.396971 15.3429 BFGS: 204 16:04:19 -700.827212 15.4114 BFGS: 205 16:04:19 -702.265187 15.4346 BFGS: 206 16:04:19 -703.722044 15.4160 BFGS: 207 16:04:20 -705.188460 15.3438 BFGS: 208 16:04:20 -706.648721 15.2324 BFGS: 209 16:04:20 -708.083376 15.0763 BFGS: 210 16:04:20 -709.506104 14.8983 BFGS: 211 16:04:20 -710.921480 14.7268 BFGS: 212 16:04:21 -712.347060 14.5525 BFGS: 213 16:04:21 -713.795904 14.4065 BFGS: 214 16:04:21 -715.270903 14.3613 BFGS: 215 16:04:21 -716.831906 14.1606 BFGS: 216 16:04:21 -718.429188 14.2396 BFGS: 217 16:04:21 -720.003090 14.0822 BFGS: 218 16:04:22 -721.738003 13.9425 BFGS: 219 16:04:22 -723.531381 13.6875 BFGS: 220 16:04:22 -725.454946 13.5826 BFGS: 221 16:04:22 -727.438634 13.3462 BFGS: 222 16:04:22 -729.572899 13.1561 BFGS: 223 16:04:22 -731.746527 12.9507 BFGS: 224 16:04:22 -734.095067 12.7273 BFGS: 225 16:04:23 -736.433463 12.4984 BFGS: 226 16:04:23 -738.913497 12.3784 BFGS: 227 16:04:23 -741.358261 12.1865 BFGS: 228 16:04:23 -743.886773 12.0588 BFGS: 229 16:04:23 -746.406267 11.8505 BFGS: 230 16:04:23 -748.987960 11.7991 BFGS: 231 16:04:23 -751.614342 11.5876 BFGS: 232 16:04:24 -754.285482 11.5405 BFGS: 233 16:04:24 -756.818768 11.3293 BFGS: 234 16:04:24 -759.213167 11.1798 BFGS: 235 16:04:24 -761.348313 10.9778 BFGS: 236 16:04:24 -763.304054 10.7043 BFGS: 237 16:04:25 -765.283696 10.5976 BFGS: 238 16:04:25 -767.174663 10.2773 BFGS: 239 16:04:25 -768.974210 10.1156 BFGS: 240 16:04:25 -770.794588 9.8957 BFGS: 241 16:04:26 -772.735122 9.7125 BFGS: 242 16:04:26 -774.948530 9.6065 BFGS: 243 16:04:26 -777.188563 9.5614 BFGS: 244 16:04:26 -779.096158 9.4325 BFGS: 245 16:04:26 -780.851836 9.2638 BFGS: 246 16:04:27 -782.525115 9.0267 BFGS: 247 16:04:27 -784.157367 8.7278 BFGS: 248 16:04:27 -785.763662 8.3290 BFGS: 249 16:04:27 -787.291726 7.8944 BFGS: 250 16:04:27 -788.675226 7.4889 BFGS: 251 16:04:27 -789.967863 7.3550 BFGS: 252 16:04:28 -791.179547 7.1510 BFGS: 253 16:04:28 -792.343346 7.2051 BFGS: 254 16:04:28 -793.478715 7.2463 BFGS: 255 16:04:28 -794.568531 7.2644 BFGS: 256 16:04:28 -795.615824 7.2745 BFGS: 257 16:04:29 -796.592423 7.2431 BFGS: 258 16:04:29 -797.464958 7.1726 BFGS: 259 16:04:29 -798.911808 7.4149 BFGS: 260 16:04:29 -799.962883 7.4424 BFGS: 261 16:04:29 -800.962110 7.4572 BFGS: 262 16:04:29 -801.929645 7.4519 BFGS: 263 16:04:30 -802.869777 7.4388 BFGS: 264 16:04:30 -803.784697 7.4166 BFGS: 265 16:04:30 -804.670781 7.7250 BFGS: 266 16:04:30 -805.527797 8.1336 BFGS: 267 16:04:30 -806.354035 8.4908 BFGS: 268 16:04:30 -807.158662 8.6690 BFGS: 269 16:04:31 -807.931133 8.8540 BFGS: 270 16:04:31 -808.707229 8.6065 BFGS: 271 16:04:31 -809.441860 8.7947 BFGS: 272 16:04:31 -810.231853 7.8259 BFGS: 273 16:04:31 -810.943642 8.0756 BFGS: 274 16:04:32 -811.744657 7.0337 BFGS: 275 16:04:32 -812.515090 6.6917 BFGS: 276 16:04:32 -813.361483 5.7528 BFGS: 277 16:04:32 -814.198803 4.9309 BFGS: 278 16:04:32 -815.078654 4.4253 BFGS: 279 16:04:32 -815.819772 6.2000 BFGS: 280 16:04:33 -816.506096 4.6292 BFGS: 281 16:04:33 -817.186650 5.1991 BFGS: 282 16:04:33 -817.857073 4.7876 BFGS: 283 16:04:33 -818.577396 5.0622 BFGS: 284 16:04:33 -819.306522 5.6596 BFGS: 285 16:04:33 -820.069687 6.4754 BFGS: 286 16:04:34 -820.849395 7.2756 BFGS: 287 16:04:34 -821.653616 8.0681 BFGS: 288 16:04:34 -822.463958 8.8175 BFGS: 289 16:04:34 -823.289164 9.5750 BFGS: 290 16:04:35 -824.112139 10.2556 BFGS: 291 16:04:35 -824.940163 10.9853 BFGS: 292 16:04:35 -825.759048 11.5531 BFGS: 293 16:04:35 -826.577014 12.2518 BFGS: 294 16:04:35 -827.386611 12.6122 BFGS: 295 16:04:36 -828.183549 13.2732 BFGS: 296 16:04:36 -828.981547 13.3473 BFGS: 297 16:04:36 -829.757696 13.8072 BFGS: 298 16:04:36 -830.563618 13.6418 BFGS: 299 16:04:37 -831.357776 13.6583 BFGS: 300 16:04:37 -832.226528 13.4062 BFGS: 301 16:04:37 -833.111066 13.0617 BFGS: 302 16:04:37 -834.078989 13.7137 BFGS: 303 16:04:37 -835.109872 13.8705 BFGS: 304 16:04:38 -836.180051 14.1753 BFGS: 305 16:04:38 -837.343641 14.5328 BFGS: 306 16:04:38 -838.544576 14.6954 BFGS: 307 16:04:38 -839.821863 15.0097 BFGS: 308 16:04:39 -841.162837 14.9775 BFGS: 309 16:04:39 -842.537784 15.2283 BFGS: 310 16:04:39 -844.042582 14.7109 BFGS: 311 16:04:39 -845.450771 14.9537 BFGS: 312 16:04:39 -846.899895 14.0455 BFGS: 313 16:04:40 -848.426210 13.7842 BFGS: 314 16:04:40 -850.072862 12.7912 BFGS: 315 16:04:40 -851.615826 11.9797 BFGS: 316 16:04:40 -853.234791 10.8764 BFGS: 317 16:04:41 -854.577524 9.9600 BFGS: 318 16:04:41 -855.975220 8.9435 BFGS: 319 16:04:41 -857.148290 8.5505 BFGS: 320 16:04:41 -858.262466 8.6278 BFGS: 321 16:04:42 -859.265550 8.7341 BFGS: 322 16:04:42 -860.213393 8.8199 BFGS: 323 16:04:42 -861.088237 8.9164 BFGS: 324 16:04:42 -861.917107 8.9993 BFGS: 325 16:04:43 -862.694261 9.0946 BFGS: 326 16:04:43 -863.436940 9.1837 BFGS: 327 16:04:43 -864.142053 9.2902 BFGS: 328 16:04:43 -864.820001 9.3976 BFGS: 329 16:04:44 -865.468332 9.5195 BFGS: 330 16:04:44 -866.090969 9.6478 BFGS: 331 16:04:44 -866.681433 9.7861 BFGS: 332 16:04:44 -867.245550 9.9146 BFGS: 333 16:04:44 -867.787624 10.0296 BFGS: 334 16:04:45 -868.327269 10.0982 BFGS: 335 16:04:45 -868.873214 10.1177 BFGS: 336 16:04:45 -869.439345 10.0631 BFGS: 337 16:04:45 -870.026066 9.9395 BFGS: 338 16:04:46 -870.638069 9.7101 BFGS: 339 16:04:46 -871.281722 9.3950 BFGS: 340 16:04:46 -871.951787 8.9813 BFGS: 341 16:04:46 -872.597196 8.5509 BFGS: 342 16:04:47 -873.131366 8.1878 BFGS: 343 16:04:47 -873.645683 7.8326 BFGS: 344 16:04:47 -874.112096 7.5378 BFGS: 345 16:04:47 -874.561327 7.2525 BFGS: 346 16:04:48 -874.992820 7.0937 BFGS: 347 16:04:48 -875.411086 6.9751 BFGS: 348 16:04:48 -875.822916 6.8327 BFGS: 349 16:04:48 -876.223876 6.6898 BFGS: 350 16:04:48 -876.622058 6.5277 BFGS: 351 16:04:49 -877.012176 6.3637 BFGS: 352 16:04:49 -877.399932 6.1841 BFGS: 353 16:04:49 -877.781005 6.0029 BFGS: 354 16:04:49 -878.158822 5.8105 BFGS: 355 16:04:49 -878.531531 5.6154 BFGS: 356 16:04:49 -878.900149 5.4124 BFGS: 357 16:04:50 -879.265069 5.2057 BFGS: 358 16:04:50 -879.625917 5.0158 BFGS: 359 16:04:50 -879.984101 4.8903 BFGS: 360 16:04:50 -880.340097 4.8322 BFGS: 361 16:04:50 -880.695096 4.7118 BFGS: 362 16:04:50 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BFGS: 997 16:06:52 -1191.038770 11.0620 BFGS: 998 16:06:52 -1192.164972 11.4431 BFGS: 999 16:06:52 -1193.244328 11.6113 BFGS: 1000 16:06:52 -1194.195930 11.6754 BFGS: 1001 16:06:52 -1194.977055 11.6908 BFGS: 1002 16:06:52 -1196.127701 11.4123 BFGS: 1003 16:06:52 -1196.669133 11.5204 BFGS: 1004 16:06:52 -1197.183508 11.6353 BFGS: 1005 16:06:52 -1197.687444 11.7235 BFGS: 1006 16:06:52 -1198.185914 11.8056 BFGS: 1007 16:06:52 -1198.680504 11.8751 BFGS: 1008 16:06:52 -1199.174787 11.9433 BFGS: 1009 16:06:53 -1199.669968 12.0003 BFGS: 1010 16:06:53 -1200.168404 12.0585 BFGS: 1011 16:06:53 -1200.671714 12.1052 BFGS: 1012 16:06:53 -1201.182735 12.1512 BFGS: 1013 16:06:53 -1201.703681 12.1843 BFGS: 1014 16:06:53 -1202.237705 12.2169 BFGS: 1015 16:06:53 -1202.787371 12.2330 BFGS: 1016 16:06:53 -1203.356861 12.2485 BFGS: 1017 16:06:53 -1203.948229 12.2425 BFGS: 1018 16:06:53 -1204.567668 12.2343 BFGS: 1019 16:06:53 -1205.215563 12.1918 BFGS: 1020 16:06:53 -1205.899265 12.1501 BFGS: 1021 16:06:53 -1206.612010 12.0447 BFGS: 1022 16:06:53 -1207.367499 11.9604 BFGS: 1023 16:06:53 -1208.131148 11.7546 BFGS: 1024 16:06:53 -1208.950009 11.6245 BFGS: 1025 16:06:54 -1209.718512 11.3203 BFGS: 1026 16:06:54 -1210.557381 11.0837 BFGS: 1027 16:06:54 -1211.319578 10.7925 BFGS: 1028 16:06:54 -1212.114841 10.7781 BFGS: 1029 16:06:54 -1212.851984 10.8529 BFGS: 1030 16:06:54 -1213.598714 10.8047 BFGS: 1031 16:06:54 -1214.293119 10.8793 BFGS: 1032 16:06:54 -1214.994167 10.7742 BFGS: 1033 16:06:54 -1215.646939 10.8376 BFGS: 1034 16:06:54 -1216.301628 10.7166 BFGS: 1035 16:06:54 -1216.924088 10.7103 BFGS: 1036 16:06:54 -1217.538872 10.5999 BFGS: 1037 16:06:54 -1218.135841 10.5215 BFGS: 1038 16:06:54 -1218.720627 10.4042 BFGS: 1039 16:06:55 -1219.295783 10.2696 BFGS: 1040 16:06:55 -1219.855986 10.1368 BFGS: 1041 16:06:55 -1220.413347 9.9534 BFGS: 1042 16:06:55 -1220.950838 9.8125 BFGS: 1043 16:06:55 -1221.491841 10.1851 BFGS: 1044 16:06:55 -1222.010052 10.2016 BFGS: 1045 16:06:55 -1222.532746 10.5305 BFGS: 1046 16:06:55 -1223.035416 10.5493 BFGS: 1047 16:06:55 -1223.539525 10.7986 BFGS: 1048 16:06:55 -1224.028058 10.8152 BFGS: 1049 16:06:55 -1224.515661 11.0142 BFGS: 1050 16:06:55 -1224.989128 11.0045 BFGS: 1051 16:06:55 -1225.460678 11.1642 BFGS: 1052 16:06:55 -1225.919737 11.1479 BFGS: 1053 16:06:55 -1226.373840 11.2415 BFGS: 1054 16:06:55 -1226.819752 11.2382 BFGS: 1055 16:06:56 -1227.257892 11.2616 BFGS: 1056 16:06:56 -1227.690884 11.2583 BFGS: 1057 16:06:56 -1228.115129 11.2298 BFGS: 1058 16:06:56 -1228.535897 11.2037 BFGS: 1059 16:06:56 -1228.946999 11.1306 BFGS: 1060 16:06:56 -1229.354894 11.0658 BFGS: 1061 16:06:56 -1229.752291 10.9354 BFGS: 1062 16:06:56 -1230.144936 10.8039 BFGS: 1063 16:06:56 -1230.525446 10.5963 BFGS: 1064 16:06:56 -1230.898147 10.3525 BFGS: 1065 16:06:56 -1231.257151 10.0408 BFGS: 1066 16:06:56 -1231.605478 9.6040 BFGS: 1067 16:06:56 -1231.943781 9.1813 BFGS: 1068 16:06:56 -1232.276234 8.3947 BFGS: 1069 16:06:57 -1232.621586 7.8749 BFGS: 1070 16:06:57 -1232.994740 6.4326 BFGS: 1071 16:06:57 -1233.457945 5.7082 BFGS: 1072 16:06:57 -1234.047825 4.2280 BFGS: 1073 16:06:57 -1234.869747 4.5226 BFGS: 1074 16:06:57 -1235.478154 4.8344 BFGS: 1075 16:06:57 -1236.049519 5.0495 BFGS: 1076 16:06:57 -1236.540026 4.9793 BFGS: 1077 16:06:57 -1237.029426 4.9025 BFGS: 1078 16:06:57 -1237.456100 4.7489 BFGS: 1079 16:06:57 -1237.889527 4.5842 BFGS: 1080 16:06:57 -1238.270630 4.5375 BFGS: 1081 16:06:57 -1238.649017 4.3929 BFGS: 1082 16:06:57 -1238.993269 4.4961 BFGS: 1083 16:06:57 -1239.325183 4.3407 BFGS: 1084 16:06:57 -1239.647957 4.3705 BFGS: 1085 16:06:58 -1239.958115 4.0013 BFGS: 1086 16:06:58 -1240.274576 3.7665 BFGS: 1087 16:06:58 -1240.571629 3.5375 BFGS: 1088 16:06:58 -1240.869991 4.2350 BFGS: 1089 16:06:58 -1241.195148 4.0666 BFGS: 1090 16:06:58 -1241.592957 3.9958 BFGS: 1091 16:06:58 -1241.915461 4.1297 BFGS: 1092 16:06:58 -1242.151293 4.1075 BFGS: 1093 16:06:58 -1242.346369 4.0409 BFGS: 1094 16:06:58 -1242.519452 3.9750 BFGS: 1095 16:06:58 -1242.678803 3.9026 BFGS: 1096 16:06:58 -1242.829498 3.8124 BFGS: 1097 16:06:58 -1242.972772 3.7158 BFGS: 1098 16:06:58 -1243.110278 3.6059 BFGS: 1099 16:06:58 -1243.241987 3.4777 BFGS: 1100 16:06:58 -1243.368785 3.3407 BFGS: 1101 16:06:59 -1243.490021 3.1923 BFGS: 1102 16:06:59 -1243.606400 3.0313 BFGS: 1103 16:06:59 -1243.717383 2.8627 BFGS: 1104 16:06:59 -1243.822904 2.6853 BFGS: 1105 16:06:59 -1243.922858 2.5493 BFGS: 1106 16:06:59 -1244.016828 2.4163 BFGS: 1107 16:06:59 -1244.104977 2.2449 BFGS: 1108 16:06:59 -1244.186538 2.0570 BFGS: 1109 16:06:59 -1244.261495 1.8226 BFGS: 1110 16:06:59 -1244.329133 1.7609 BFGS: 1111 16:06:59 -1244.389056 1.6990 BFGS: 1112 16:06:59 -1244.440484 1.6538 BFGS: 1113 16:06:59 -1244.481277 1.6498 BFGS: 1114 16:06:59 -1244.510915 1.5572 BFGS: 1115 16:07:00 -1244.534647 1.6712 BFGS: 1116 16:07:00 -1244.559739 1.2361 BFGS: 1117 16:07:00 -1244.593066 1.3999 BFGS: 1118 16:07:00 -1244.629513 1.2832 BFGS: 1119 16:07:00 -1244.657637 1.2756 BFGS: 1120 16:07:00 -1244.683638 1.0095 BFGS: 1121 16:07:00 -1244.709722 0.9555 BFGS: 1122 16:07:00 -1244.757652 1.1832 BFGS: 1123 16:07:01 -1244.827310 1.4154 BFGS: 1124 16:07:01 -1244.899335 1.7833 BFGS: 1125 16:07:01 -1244.985788 2.1201 BFGS: 1126 16:07:01 -1245.089324 2.3676 BFGS: 1127 16:07:01 -1245.207700 2.5918 BFGS: 1128 16:07:01 -1245.332296 3.0369 BFGS: 1129 16:07:01 -1245.459853 3.5012 BFGS: 1130 16:07:01 -1245.587695 3.9614 BFGS: 1131 16:07:01 -1245.711875 4.4123 BFGS: 1132 16:07:02 -1245.838887 4.8420 BFGS: 1133 16:07:02 -1245.958652 5.2525 BFGS: 1134 16:07:02 -1246.090334 5.6559 BFGS: 1135 16:07:02 -1246.212357 5.9971 BFGS: 1136 16:07:02 -1246.349260 6.3348 BFGS: 1137 16:07:03 -1246.491142 6.5802 BFGS: 1138 16:07:03 -1246.653058 6.8130 BFGS: 1139 16:07:03 -1246.831918 6.8718 BFGS: 1140 16:07:03 -1247.045255 6.9157 BFGS: 1141 16:07:03 -1247.274538 6.5003 BFGS: 1142 16:07:03 -1247.496567 6.3950 BFGS: 1143 16:07:03 -1247.737499 6.1056 BFGS: 1144 16:07:04 -1247.989117 6.3189 BFGS: 1145 16:07:04 -1248.284242 6.3663 BFGS: 1146 16:07:04 -1248.615067 6.5126 BFGS: 1147 16:07:04 -1248.986351 6.5066 BFGS: 1148 16:07:04 -1249.390180 6.6403 BFGS: 1149 16:07:05 -1249.774326 6.5982 BFGS: 1150 16:07:05 -1250.194204 6.5949 BFGS: 1151 16:07:05 -1250.420845 6.3798 BFGS: 1152 16:07:05 -1250.684078 6.2238 BFGS: 1153 16:07:06 -1250.897369 6.0587 BFGS: 1154 16:07:06 -1251.151807 5.7886 BFGS: 1155 16:07:06 -1251.394480 5.4988 BFGS: 1156 16:07:06 -1251.651044 5.1277 BFGS: 1157 16:07:06 -1251.902966 4.7085 BFGS: 1158 16:07:07 -1252.154662 4.1925 BFGS: 1159 16:07:07 -1252.392183 3.6085 BFGS: 1160 16:07:07 -1252.609301 2.8375 BFGS: 1161 16:07:07 -1252.733027 2.4984 BFGS: 1162 16:07:08 -1252.818548 2.2943 BFGS: 1163 16:07:08 -1252.912987 2.2888 BFGS: 1164 16:07:08 -1252.991354 2.2855 BFGS: 1165 16:07:08 -1253.058057 2.3248 BFGS: 1166 16:07:08 -1253.113325 2.3198 BFGS: 1167 16:07:09 -1253.162256 2.3330 BFGS: 1168 16:07:09 -1253.207871 2.2886 BFGS: 1169 16:07:09 -1253.254110 2.2561 BFGS: 1170 16:07:09 -1253.302140 2.1742 BFGS: 1171 16:07:09 -1253.353899 2.1025 BFGS: 1172 16:07:09 -1253.408325 2.0011 BFGS: 1173 16:07:10 -1253.466461 2.0550 BFGS: 1174 16:07:10 -1253.527928 2.1522 BFGS: 1175 16:07:10 -1253.593652 2.2226 BFGS: 1176 16:07:10 -1253.664783 2.2561 BFGS: 1177 16:07:10 -1253.746704 2.2351 BFGS: 1178 16:07:10 -1253.846442 2.3666 BFGS: 1179 16:07:10 -1253.969232 2.5672 BFGS: 1180 16:07:11 -1254.063400 2.4793 BFGS: 1181 16:07:11 -1254.203594 2.1238 BFGS: 1182 16:07:11 -1254.272442 1.7950 BFGS: 1183 16:07:11 -1254.327951 1.9402 BFGS: 1184 16:07:11 -1254.360377 2.0427 BFGS: 1185 16:07:11 -1254.381708 1.8139 BFGS: 1186 16:07:11 -1254.398132 1.8418 BFGS: 1187 16:07:11 -1254.414360 2.0843 BFGS: 1188 16:07:11 -1254.436039 2.1804 BFGS: 1189 16:07:12 -1254.461675 2.2380 BFGS: 1190 16:07:12 -1254.484142 2.2107 BFGS: 1191 16:07:12 -1254.512569 1.9801 BFGS: 1192 16:07:12 -1254.546548 1.8892 BFGS: 1193 16:07:12 -1254.585629 1.8980 BFGS: 1194 16:07:12 -1254.646509 1.8988 BFGS: 1195 16:07:12 -1254.706242 2.0892 BFGS: 1196 16:07:13 -1254.765846 2.2475 BFGS: 1197 16:07:13 -1254.824678 2.3059 BFGS: 1198 16:07:13 -1254.885537 2.3550 BFGS: 1199 16:07:13 -1254.946383 2.5282 BFGS: 1200 16:07:13 -1255.030870 2.5189 BFGS: 1201 16:07:13 -1255.081558 3.5729 BFGS: 1202 16:07:14 -1255.208357 3.3006 BFGS: 1203 16:07:14 -1255.303907 3.5797 BFGS: 1204 16:07:14 -1255.473919 2.5325 BFGS: 1205 16:07:14 -1255.626203 2.8311 BFGS: 1206 16:07:14 -1255.851243 2.6448 BFGS: 1207 16:07:14 -1256.119499 2.5028 BFGS: 1208 16:07:15 -1256.419370 2.4096 BFGS: 1209 16:07:15 -1256.753760 2.3016 BFGS: 1210 16:07:15 -1257.119470 2.2213 BFGS: 1211 16:07:15 -1257.514090 2.2433 BFGS: 1212 16:07:15 -1257.928502 2.2799 BFGS: 1213 16:07:15 -1258.353418 2.3594 BFGS: 1214 16:07:15 -1258.780587 2.5791 BFGS: 1215 16:07:16 -1259.202029 2.7681 BFGS: 1216 16:07:16 -1259.612159 2.9298 BFGS: 1217 16:07:16 -1260.001246 3.0534 BFGS: 1218 16:07:16 -1260.378244 3.1563 BFGS: 1219 16:07:16 -1260.705720 3.1994 BFGS: 1220 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16:07:20 -1267.715575 7.1682 BFGS: 1246 16:07:21 -1267.916711 7.2908 BFGS: 1247 16:07:21 -1268.109093 7.4326 BFGS: 1248 16:07:21 -1268.298962 7.5131 BFGS: 1249 16:07:21 -1268.476304 7.6248 BFGS: 1250 16:07:22 -1268.651427 7.6633 BFGS: 1251 16:07:22 -1268.813360 7.7296 BFGS: 1252 16:07:22 -1268.972279 7.7242 BFGS: 1253 16:07:22 -1269.119956 7.7304 BFGS: 1254 16:07:22 -1269.266611 7.6768 BFGS: 1255 16:07:23 -1269.405275 7.6221 BFGS: 1256 16:07:23 -1269.548421 7.4921 BFGS: 1257 16:07:23 -1269.687113 7.3887 BFGS: 1258 16:07:23 -1269.840126 7.1232 BFGS: 1259 16:07:23 -1269.988159 7.0114 BFGS: 1260 16:07:23 -1270.161475 6.5210 BFGS: 1261 16:07:23 -1270.342632 6.3179 BFGS: 1262 16:07:23 -1270.552883 5.5978 BFGS: 1263 16:07:23 -1270.816803 5.0725 BFGS: 1264 16:07:23 -1271.044310 3.7579 BFGS: 1265 16:07:24 -1271.187590 3.7697 BFGS: 1266 16:07:24 -1271.296625 3.9990 BFGS: 1267 16:07:24 -1271.386723 4.1256 BFGS: 1268 16:07:24 -1271.466640 4.4270 BFGS: 1269 16:07:25 -1271.547358 4.4380 BFGS: 1270 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16:07:35 -1275.458744 3.9512 BFGS: 1321 16:07:35 -1275.514930 3.8952 BFGS: 1322 16:07:35 -1275.567565 3.8332 BFGS: 1323 16:07:35 -1275.616442 3.7655 BFGS: 1324 16:07:35 -1275.661497 3.6914 BFGS: 1325 16:07:36 -1275.702259 3.6117 BFGS: 1326 16:07:36 -1275.738525 3.5248 BFGS: 1327 16:07:36 -1275.770224 3.4305 BFGS: 1328 16:07:36 -1275.797261 3.3256 BFGS: 1329 16:07:36 -1275.819631 3.2121 BFGS: 1330 16:07:37 -1275.837857 3.0814 BFGS: 1331 16:07:37 -1275.853151 2.9420 BFGS: 1332 16:07:37 -1275.866217 2.9174 BFGS: 1333 16:07:37 -1275.884552 2.9073 BFGS: 1334 16:07:37 -1275.907519 2.9124 BFGS: 1335 16:07:37 -1275.931747 2.9705 BFGS: 1336 16:07:38 -1275.954435 3.0072 BFGS: 1337 16:07:38 -1275.986603 3.0540 BFGS: 1338 16:07:38 -1276.028040 3.0806 BFGS: 1339 16:07:38 -1276.089186 3.0870 BFGS: 1340 16:07:38 -1276.159520 3.0734 BFGS: 1341 16:07:39 -1276.214506 3.1901 BFGS: 1342 16:07:39 -1276.269249 3.2241 BFGS: 1343 16:07:39 -1276.328812 3.2722 BFGS: 1344 16:07:39 -1276.391957 3.2652 BFGS: 1345 16:07:39 -1276.459187 3.2663 BFGS: 1346 16:07:39 -1276.528813 3.2471 BFGS: 1347 16:07:39 -1276.600582 3.2339 BFGS: 1348 16:07:40 -1276.673670 3.2181 BFGS: 1349 16:07:40 -1276.747979 3.2070 BFGS: 1350 16:07:40 -1276.822908 3.1910 BFGS: 1351 16:07:40 -1276.899301 3.1991 BFGS: 1352 16:07:41 -1276.976321 3.2328 BFGS: 1353 16:07:41 -1277.054189 3.2666 BFGS: 1354 16:07:41 -1277.133809 3.3010 BFGS: 1355 16:07:41 -1277.213693 3.3324 BFGS: 1356 16:07:41 -1277.294723 3.3632 BFGS: 1357 16:07:41 -1277.375603 3.3886 BFGS: 1358 16:07:42 -1277.456932 3.4103 BFGS: 1359 16:07:42 -1277.537600 3.4254 BFGS: 1360 16:07:42 -1277.618248 3.4354 BFGS: 1361 16:07:42 -1277.698132 3.4396 BFGS: 1362 16:07:42 -1277.777768 3.4395 BFGS: 1363 16:07:43 -1277.857685 3.4369 BFGS: 1364 16:07:43 -1277.937762 3.4344 BFGS: 1365 16:07:43 -1278.017482 3.4343 BFGS: 1366 16:07:43 -1278.098607 3.4366 BFGS: 1367 16:07:43 -1278.181261 3.4408 BFGS: 1368 16:07:43 -1278.265534 3.4486 BFGS: 1369 16:07:44 -1278.351329 3.4559 BFGS: 1370 16:07:44 -1278.438939 3.4610 BFGS: 1371 16:07:44 -1278.529239 3.4585 BFGS: 1372 16:07:44 -1278.623045 3.4421 BFGS: 1373 16:07:44 -1278.723391 3.4038 BFGS: 1374 16:07:45 -1278.830670 3.3223 BFGS: 1375 16:07:45 -1278.952244 3.1980 BFGS: 1376 16:07:45 -1279.086800 2.9932 BFGS: 1377 16:07:45 -1279.228625 2.7407 BFGS: 1378 16:07:45 -1279.369289 2.4132 BFGS: 1379 16:07:46 -1279.504756 2.0803 BFGS: 1380 16:07:46 -1279.622092 1.7281 BFGS: 1381 16:07:46 -1279.726623 1.4570 BFGS: 1382 16:07:46 -1279.797237 1.2394 BFGS: 1383 16:07:46 -1279.863623 1.1945 BFGS: 1384 16:07:47 -1279.908129 1.1681 BFGS: 1385 16:07:47 -1279.950148 1.1403 BFGS: 1386 16:07:47 -1279.981179 1.1021 BFGS: 1387 16:07:47 -1280.009245 1.0318 BFGS: 1388 16:07:47 -1280.031791 0.9562 BFGS: 1389 16:07:47 -1280.051967 0.9366 BFGS: 1390 16:07:48 -1280.069263 0.9263 BFGS: 1391 16:07:48 -1280.084823 0.9075 BFGS: 1392 16:07:48 -1280.098585 0.8794 BFGS: 1393 16:07:48 -1280.111245 0.8483 BFGS: 1394 16:07:48 -1280.122831 0.8156 BFGS: 1395 16:07:49 -1280.133936 0.7933 BFGS: 1396 16:07:49 -1280.144548 0.7795 BFGS: 1397 16:07:49 -1280.154889 0.7960 BFGS: 1398 16:07:49 -1280.165041 0.8385 BFGS: 1399 16:07:49 -1280.175609 0.9395 BFGS: 1400 16:07:49 -1280.183641 0.9938 BFGS: 1401 16:07:49 -1280.192077 1.0804 BFGS: 1402 16:07:49 -1280.197071 1.0190 BFGS: 1403 16:07:50 -1280.201640 1.0078 BFGS: 1404 16:07:50 -1280.205567 0.8894 BFGS: 1405 16:07:50 -1280.209099 0.8412 BFGS: 1406 16:07:50 -1280.211375 0.8331 BFGS: 1407 16:07:50 -1280.213154 0.8275 BFGS: 1408 16:07:50 -1280.215116 0.8080 BFGS: 1409 16:07:50 -1280.217149 0.8561 BFGS: 1410 16:07:50 -1280.219222 0.8725 BFGS: 1411 16:07:50 -1280.220812 0.9223 BFGS: 1412 16:07:50 -1280.222185 0.9102 BFGS: 1413 16:07:50 -1280.223272 0.9166 BFGS: 1414 16:07:50 -1280.224496 0.8859 BFGS: 1415 16:07:51 -1280.225709 0.8659 BFGS: 1416 16:07:51 -1280.227656 0.8105 BFGS: 1417 16:07:51 -1280.229768 0.7853 BFGS: 1418 16:07:51 -1280.235330 0.7123 BFGS: 1419 16:07:51 -1280.242567 0.7008 BFGS: 1420 16:07:51 -1280.252571 0.7194 BFGS: 1421 16:07:51 -1280.266206 0.7311 BFGS: 1422 16:07:51 -1280.283165 0.7685 BFGS: 1423 16:07:52 -1280.302938 0.8692 BFGS: 1424 16:07:52 -1280.324764 0.9578 BFGS: 1425 16:07:52 -1280.348079 1.0309 BFGS: 1426 16:07:52 -1280.371950 1.0818 BFGS: 1427 16:07:52 -1280.395886 1.1096 BFGS: 1428 16:07:53 -1280.419094 1.1125 BFGS: 1429 16:07:53 -1280.440945 1.0873 BFGS: 1430 16:07:53 -1280.461332 1.0283 BFGS: 1431 16:07:53 -1280.479192 0.9386 BFGS: 1432 16:07:53 -1280.492581 0.8934 BFGS: 1433 16:07:54 -1280.499040 0.9191 BFGS: 1434 16:07:54 -1280.501626 0.9345 BFGS: 1435 16:07:54 -1280.504510 0.9253 BFGS: 1436 16:07:54 -1280.505432 0.9098 BFGS: 1437 16:07:55 -1280.506136 0.8913 BFGS: 1438 16:07:55 -1280.506227 0.8937 BFGS: 1439 16:07:55 -1280.506361 0.9021 BFGS: 1440 16:07:55 -1280.506377 0.9062 BFGS: 1441 16:07:56 -1280.506384 0.9080 BFGS: 1442 16:07:56 -1280.506389 0.9080 BFGS: 1443 16:07:56 -1280.506392 0.9073 BFGS: 1444 16:07:56 -1280.506394 0.9063 BFGS: 1445 16:07:56 -1280.506395 0.9053 BFGS: 1446 16:07:57 -1280.506396 0.9048 BFGS: 1447 16:07:57 -1280.506396 0.9044 BFGS: 1448 16:07:57 -1280.506396 0.9043 BFGS: 1449 16:07:57 -1280.506396 0.9042 BFGS: 1450 16:07:57 -1280.506396 0.9043 BFGS: 1451 16:07:58 -1280.506396 0.9043 BFGS: 1452 16:07:58 -1280.506397 0.9043 BFGS: 1453 16:07:58 -1280.506397 0.9043 BFGS: 1454 16:07:58 -1280.506397 0.9043 BFGS: 1455 16:07:59 -1280.506397 0.9042 BFGS: 1456 16:07:59 -1280.506397 0.9042 BFGS: 1457 16:07:59 -1280.506397 0.9042 BFGS: 1458 16:07:59 -1280.506397 0.9043 BFGS: 1459 16:07:59 -1280.506397 0.9043 BFGS: 1460 16:08:00 -1280.506397 0.9044 BFGS: 1461 16:08:00 -1280.506397 0.9044 BFGS: 1462 16:08:00 -1280.506397 0.9046 BFGS: 1463 16:08:00 -1280.506398 0.9048 BFGS: 1464 16:08:01 -1280.506400 0.9050 BFGS: 1465 16:08:01 -1280.506405 0.9054 BFGS: 1466 16:08:01 -1280.506416 0.9060 BFGS: 1467 16:08:01 -1280.506446 0.9067 BFGS: 1468 16:08:02 -1280.506521 0.9075 BFGS: 1469 16:08:02 -1280.506706 0.9084 BFGS: 1470 16:08:02 -1280.507165 0.9093 BFGS: 1471 16:08:02 -1280.508310 0.9091 BFGS: 1472 16:08:02 -1280.511101 0.9043 BFGS: 1473 16:08:03 -1280.518180 0.8936 BFGS: 1474 16:08:03 -1280.529500 0.8749 BFGS: 1475 16:08:03 -1280.542138 0.8578 BFGS: 1476 16:08:03 -1280.555967 0.8405 BFGS: 1477 16:08:03 -1280.570739 0.8304 BFGS: 1478 16:08:04 -1280.585445 0.8423 BFGS: 1479 16:08:04 -1280.601298 0.8463 BFGS: 1480 16:08:04 -1280.617101 0.8487 BFGS: 1481 16:08:04 -1280.633541 0.8451 BFGS: 1482 16:08:05 -1280.650047 0.8396 BFGS: 1483 16:08:05 -1280.666104 0.8322 BFGS: 1484 16:08:05 -1280.682265 0.8224 BFGS: 1485 16:08:05 -1280.698465 0.8112 BFGS: 1486 16:08:06 -1280.714466 0.7982 BFGS: 1487 16:08:06 -1280.730192 0.7841 BFGS: 1488 16:08:06 -1280.745578 0.7689 BFGS: 1489 16:08:06 -1280.760411 0.7538 BFGS: 1490 16:08:07 -1280.774793 0.7382 BFGS: 1491 16:08:07 -1280.788886 0.7220 BFGS: 1492 16:08:07 -1280.802648 0.7055 BFGS: 1493 16:08:07 -1280.815638 0.6892 BFGS: 1494 16:08:08 -1280.828455 0.6723 BFGS: 1495 16:08:08 -1280.840558 0.6555 BFGS: 1496 16:08:08 -1280.852309 0.6385 BFGS: 1497 16:08:08 -1280.863322 0.6332 BFGS: 1498 16:08:09 -1280.873855 0.6431 BFGS: 1499 16:08:09 -1280.883903 0.6547 BFGS: 1500 16:08:09 -1280.893363 0.6678 BFGS: 1501 16:08:09 -1280.902240 0.6819 BFGS: 1502 16:08:10 -1280.910258 0.6951 BFGS: 1503 16:08:10 -1280.917922 0.7107 BFGS: 1504 16:08:10 -1280.924937 0.7282 BFGS: 1505 16:08:10 -1280.931191 0.7446 BFGS: 1506 16:08:11 -1280.936986 0.7653 BFGS: 1507 16:08:11 -1280.942029 0.7850 BFGS: 1508 16:08:11 -1280.946502 0.8069 BFGS: 1509 16:08:11 -1280.950266 0.8287 BFGS: 1510 16:08:12 -1280.953393 0.8529 BFGS: 1511 16:08:12 -1280.955808 0.8766 BFGS: 1512 16:08:12 -1280.957590 0.9038 BFGS: 1513 16:08:12 -1280.958741 0.9315 BFGS: 1514 16:08:13 -1280.959339 0.9652 BFGS: 1515 16:08:13 -1280.959571 1.0036 BFGS: 1516 16:08:13 -1280.959708 1.0563 BFGS: 1517 16:08:13 -1280.959791 1.0580 BFGS: 1518 16:08:14 -1280.960181 1.0562 BFGS: 1519 16:08:14 -1280.960288 1.0428 BFGS: 1520 16:08:14 -1280.960476 1.0182 BFGS: 1521 16:08:14 -1280.960837 0.9893 BFGS: 1522 16:08:15 -1280.961694 0.9528 BFGS: 1523 16:08:15 -1280.963879 0.9082 BFGS: 1524 16:08:15 -1280.969512 0.8617 BFGS: 1525 16:08:16 -1280.984263 0.9921 BFGS: 1526 16:08:16 -1281.023384 1.3070 BFGS: 1527 16:08:16 -1281.064412 1.4905 BFGS: 1528 16:08:16 -1281.108112 1.6174 BFGS: 1529 16:08:17 -1281.156853 1.7938 BFGS: 1530 16:08:17 -1281.209618 1.9690 BFGS: 1531 16:08:17 -1281.268132 2.1391 BFGS: 1532 16:08:17 -1281.332485 2.3088 BFGS: 1533 16:08:17 -1281.402187 2.4780 BFGS: 1534 16:08:18 -1281.480648 2.6592 BFGS: 1535 16:08:18 -1281.564336 2.8401 BFGS: 1536 16:08:18 -1281.656328 3.0329 BFGS: 1537 16:08:19 -1281.755124 3.2339 BFGS: 1538 16:08:19 -1281.852228 3.4211 BFGS: 1539 16:08:19 -1281.944261 3.5891 BFGS: 1540 16:08:19 -1282.029179 3.7350 BFGS: 1541 16:08:19 -1282.109914 3.8617 BFGS: 1542 16:08:20 -1282.185079 3.9697 BFGS: 1543 16:08:20 -1282.256501 4.0609 BFGS: 1544 16:08:20 -1282.327365 4.1390 BFGS: 1545 16:08:20 -1282.393437 4.2033 BFGS: 1546 16:08:20 -1282.458506 4.2547 BFGS: 1547 16:08:21 -1282.520701 4.2951 BFGS: 1548 16:08:21 -1282.585490 4.3219 BFGS: 1549 16:08:21 -1282.642997 4.3445 BFGS: 1550 16:08:22 -1282.709467 4.3515 BFGS: 1551 16:08:22 -1282.760132 4.3605 BFGS: 1552 16:08:22 -1282.833347 4.3396 BFGS: 1553 16:08:23 -1282.880308 4.3385 BFGS: 1554 16:08:23 -1282.945597 4.3058 BFGS: 1555 16:08:23 -1282.996778 4.2832 BFGS: 1556 16:08:24 -1283.054898 4.2420 BFGS: 1557 16:08:24 -1283.107801 4.2005 BFGS: 1558 16:08:24 -1283.162830 4.1469 BFGS: 1559 16:08:24 -1283.213366 4.0931 BFGS: 1560 16:08:24 -1283.267564 4.0240 BFGS: 1561 16:08:25 -1283.318439 3.9540 BFGS: 1562 16:08:25 -1283.369857 3.8739 BFGS: 1563 16:08:25 -1283.419682 3.7892 BFGS: 1564 16:08:25 -1283.469113 3.6966 BFGS: 1565 16:08:26 -1283.517229 3.5992 BFGS: 1566 16:08:26 -1283.564990 3.4944 BFGS: 1567 16:08:26 -1283.610661 3.3845 BFGS: 1568 16:08:26 -1283.655335 3.2683 BFGS: 1569 16:08:26 -1283.698940 3.1454 BFGS: 1570 16:08:26 -1283.739356 3.0233 BFGS: 1571 16:08:27 -1283.780044 2.8884 BFGS: 1572 16:08:27 -1283.817081 2.7573 BFGS: 1573 16:08:27 -1283.854041 2.6134 BFGS: 1574 16:08:27 -1283.887733 2.4728 BFGS: 1575 16:08:27 -1283.920045 2.3238 BFGS: 1576 16:08:27 -1283.949594 2.1765 BFGS: 1577 16:08:28 -1283.978890 2.0134 BFGS: 1578 16:08:28 -1284.004478 1.8565 BFGS: 1579 16:08:28 -1284.029292 1.6837 BFGS: 1580 16:08:28 -1284.050629 1.5174 BFGS: 1581 16:08:28 -1284.070503 1.3364 BFGS: 1582 16:08:28 -1284.087167 1.1605 BFGS: 1583 16:08:28 -1284.101741 0.9734 BFGS: 1584 16:08:29 -1284.112861 0.7993 BFGS: 1585 16:08:29 -1284.122376 0.5956 BFGS: 1586 16:08:29 -1284.128448 0.4097 BFGS: 1587 16:08:29 -1284.132058 0.1967 BFGS: 1588 16:08:29 -1284.132688 0.0571 BFGS: 1589 16:08:30 -1284.132829 0.0528 BFGS: 1590 16:08:30 -1284.132898 0.0569 BFGS: 1591 16:08:30 -1284.133093 0.0576 BFGS: 1592 16:08:30 -1284.133174 0.0463 BFGS: 1593 16:08:30 -1284.133191 0.0451 BFGS: 1594 16:08:31 -1284.133193 0.0449 BFGS: 1595 16:08:31 -1284.133194 0.0449 BFGS: 1596 16:08:31 -1284.133195 0.0450 BFGS: 1597 16:08:31 -1284.133195 0.0450 BFGS: 1598 16:08:32 -1284.133195 0.0450 BFGS: 1599 16:08:32 -1284.133195 0.0450 BFGS: 1600 16:08:32 -1284.133196 0.0450 BFGS: 1601 16:08:32 -1284.133196 0.0450 BFGS: 1602 16:08:33 -1284.133196 0.0450 BFGS: 1603 16:08:33 -1284.133196 0.0450 BFGS: 1604 16:08:33 -1284.133196 0.0450 BFGS: 1605 16:08:33 -1284.133196 0.0451 BFGS: 1606 16:08:34 -1284.133197 0.0451 BFGS: 1607 16:08:34 -1284.133199 0.0452 BFGS: 1608 16:08:34 -1284.133204 0.0453 BFGS: 1609 16:08:34 -1284.133217 0.0456 BFGS: 1610 16:08:35 -1284.133251 0.0459 BFGS: 1611 16:08:35 -1284.133341 0.0521 BFGS: 1612 16:08:35 -1284.133572 0.0812 BFGS: 1613 16:08:35 -1284.134170 0.1312 BFGS: 1614 16:08:36 -1284.135537 0.2006 BFGS: 1615 16:08:36 -1284.138504 0.2755 BFGS: 1616 16:08:36 -1284.141529 0.3055 BFGS: 1617 16:08:37 -1284.144696 0.3035 BFGS: 1618 16:08:37 -1284.147796 0.2823 BFGS: 1619 16:08:37 -1284.150703 0.2450 BFGS: 1620 16:08:37 -1284.153215 0.1942 BFGS: 1621 16:08:37 -1284.155146 0.1344 BFGS: 1622 16:08:37 -1284.156351 0.0670 BFGS: 1623 16:08:38 -1284.156716 0.0046 BFGS: 1624 16:08:38 -1284.156717 0.0015 BFGS: 1625 16:08:38 -1284.156717 0.0006 BFGS: 1626 16:08:38 -1284.156717 0.0001 BFGS: 1627 16:08:38 -1284.156717 0.0000 BFGS: 1628 16:08:38 -1284.156717 0.0000 BFGS: 1629 16:08:39 -1284.156717 0.0000 BFGS: 1630 16:08:39 -1284.156717 0.0000 BFGS: 1631 16:08:39 -1284.156717 0.0000 BFGS: 1632 16:08:39 -1284.156717 0.0000 BFGS: 1633 16:08:39 -1284.156717 0.0000 BFGS: 1634 16:08:39 -1284.156717 0.0000 BFGS: 1635 16:08:39 -1284.156717 0.0000 Minimization converged after 1635 steps. Maximum force component: 4.430230673571698e-09 eV/Angstrom Maximum stress component: 1.0170201099682735e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.77907699 0.55042856 0.09911004] [0.22092301 0.05042856 0.40088996] [0.22092301 0.44957144 0.90088996] [0.77907699 0.94957144 0.59911004] [0.157318 0.3467919 0.15591289] [0.842682 0.8467919 0.34408711] [0.842682 0.6532081 0.84408711] [0.157318 0.1532081 0.65591289] [0.08946433 0.5261636 0.58499731] [0.91053567 0.0261636 0.91500269] [0.91053567 0.4738364 0.41500269] [0.08946433 0.9738364 0.08499731] [0.88417496 0.18347333 0.18673903] [0.11582504 0.68347333 0.31326097] [0.11582504 0.81652667 0.81326097] [0.88417496 0.31652667 0.68673903] [0.31993016 0.85583682 0.12777277] [0.68006984 0.35583682 0.37222723] [0.68006984 0.14416318 0.87222723] [0.31993016 0.64416318 0.62777277] [0.59335744 0.65199962 0.68215434] [0.40664256 0.15199962 0.81784566] [0.40664256 0.34800038 0.31784566] [0.59335744 0.84800038 0.18215434] [0.88438775 0.82397585 0.11465601] [0.11561225 0.32397585 0.38534399] [0.11561225 0.17602415 0.88534399] [0.88438775 0.67602415 0.61465601] [0.11798663 0.84984689 0.54028076] [0.88201337 0.34984689 0.95971924] [0.88201337 0.15015311 0.45971924] [0.11798663 0.65015311 0.04028076] [0.95784382 0.67739469 0.25059457] [0.04215618 0.17739469 0.24940543] [0.04215618 0.32260531 0.74940543] [0.95784382 0.82260531 0.75059457] [0.03364318 0.5384188 0.08364922] [0.96635682 0.0384188 0.41635078] [0.96635682 0.4615812 0.91635078] [0.03364318 0.9615812 0.58364922] [0.99266575 0.31044669 0.07777558] [0.00733425 0.81044669 0.42222442] [0.00733425 0.68955331 0.92222442] [0.99266575 0.18955331 0.57777558] [0.02241149 0.24331244 0.41660266] [0.97758851 0.74331244 0.08339734] [0.97758851 0.75668756 0.58339734] [0.02241149 0.25668756 0.91660266] [0.93153846 0.51613784 0.09872385] [0.06846154 0.01613784 0.40127615] [0.06846154 0.48386216 0.90127615] [0.93153846 0.98386216 0.59872385] [0.01350077 0.41758293 0.25817048] [0.98649923 0.91758293 0.24182952] [0.98649923 0.58241707 0.74182952] [0.01350077 0.08241707 0.75817048]] cellpar = Cell([[11.246010460628789, 1.8498820636004736e-16, -4.104975266992456], [1.53559507691334e-17, 5.324697153897171, -1.5102245847486032e-17], [0.17648176660919654, -7.380801055487414e-18, 6.88468469999121]]) forces = [[-2.36356200e-09 1.19992456e-09 2.01334214e-09] [ 2.36356200e-09 1.19992456e-09 -2.01334214e-09] [ 2.36356200e-09 -1.19992456e-09 -2.01334214e-09] [-2.36356200e-09 -1.19992456e-09 2.01334214e-09] [-2.15855161e-09 -4.20458725e-10 -5.98342587e-11] [ 2.15855161e-09 -4.20458725e-10 5.98342587e-11] [ 2.15855161e-09 4.20458725e-10 5.98342587e-11] [-2.15855161e-09 4.20458725e-10 -5.98342587e-11] [-9.56701260e-10 4.43023067e-09 5.96122643e-10] [ 9.56701260e-10 4.43023067e-09 -5.96122643e-10] [ 9.56701260e-10 -4.43023067e-09 -5.96122643e-10] [-9.56701260e-10 -4.43023067e-09 5.96122643e-10] [ 7.19129723e-10 1.77556927e-09 1.39148137e-09] [-7.19129723e-10 1.77556927e-09 -1.39148137e-09] [-7.19129723e-10 -1.77556927e-09 -1.39148137e-09] [ 7.19129723e-10 -1.77556927e-09 1.39148137e-09] [ 1.71435989e-09 7.62349525e-10 -2.30975407e-10] [-1.71435989e-09 7.62349525e-10 2.30975407e-10] [-1.71435989e-09 -7.62349525e-10 2.30975407e-10] [ 1.71435989e-09 -7.62349525e-10 -2.30975407e-10] [-4.18410019e-10 -5.47537447e-10 -2.80000990e-10] [ 4.18410019e-10 -5.47537447e-10 2.80000990e-10] [ 4.18410019e-10 5.47537447e-10 2.80000990e-10] [-4.18410019e-10 5.47537447e-10 -2.80000990e-10] [ 2.06798890e-09 -1.18602869e-09 -1.59748146e-09] [-2.06798890e-09 -1.18602869e-09 1.59748146e-09] [-2.06798890e-09 1.18602869e-09 1.59748146e-09] [ 2.06798890e-09 1.18602869e-09 -1.59748146e-09] [-3.20922126e-09 2.17470796e-09 3.08994012e-09] [ 3.20922126e-09 2.17470796e-09 -3.08994012e-09] [ 3.20922126e-09 -2.17470796e-09 -3.08994012e-09] [-3.20922126e-09 -2.17470796e-09 3.08994012e-09] [ 4.06234097e-10 1.67940023e-09 2.97788312e-09] [-4.06234097e-10 1.67940023e-09 -2.97788312e-09] [-4.06234097e-10 -1.67940023e-09 -2.97788312e-09] [ 4.06234097e-10 -1.67940023e-09 2.97788312e-09] [ 1.55418150e-09 -1.77434065e-09 -4.22704493e-09] [-1.55418150e-09 -1.77434065e-09 4.22704493e-09] [-1.55418150e-09 1.77434065e-09 4.22704493e-09] [ 1.55418150e-09 1.77434065e-09 -4.22704493e-09] [ 4.27855623e-09 -3.99803677e-09 -1.07845535e-09] [-4.27855623e-09 -3.99803677e-09 1.07845535e-09] [-4.27855623e-09 3.99803677e-09 1.07845535e-09] [ 4.27855623e-09 3.99803677e-09 -1.07845535e-09] [ 4.25602573e-10 -7.44399550e-10 2.63800305e-09] [-4.25602573e-10 -7.44399550e-10 -2.63800305e-09] [-4.25602573e-10 7.44399550e-10 -2.63800305e-09] [ 4.25602573e-10 7.44399550e-10 2.63800305e-09] [ 1.51032743e-10 -2.20985043e-09 -3.11665050e-10] [-1.51032743e-10 -2.20985043e-09 3.11665050e-10] [-1.51032743e-10 2.20985043e-09 3.11665050e-10] [ 1.51032743e-10 2.20985043e-09 -3.11665050e-10] [-1.20171527e-09 3.74393085e-09 -3.86611199e-09] [ 1.20171527e-09 3.74393085e-09 3.86611199e-09] [ 1.20171527e-09 -3.74393085e-09 3.86611199e-09] [-1.20171527e-09 -3.74393085e-09 -3.86611199e-09]] stress = [ 1.01702011e-10 4.99704628e-11 5.77291546e-12 -3.19850167e-29 1.30278320e-11 -2.47614929e-28] energy per atom = -22.93136994776654 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0