element(s): ['Cl', 'H', 'Na', 'O'] AFLOW prototype label: AB2CD5_mC72_15_f_2f_ae_5f Parameter names: ['a', 'b/a', 'c/a', 'beta', 'y2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.1862', '0.34388553', '0.99807243', '139.6843', '0.20990763', '0.81832602', '0.27923233', '0.69514829', '0.34484875', '0.17189651', '0.48364391', '0.48033041', '0.059560824', '0.58350852', '0.92046769', '0.27880645', '0.83571923', '0.69476784', '0.2773952', '0.6412621', '0.83026008', '0.06402463', '0.65285811', '0.83164978', '0.49315929', '0.65407186', '0.43537637', '0.21329009', '0.55687862'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cl', 'H', 'H', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O'] representative atom coordinates = [[0.81832602 0.27923233 0.69514829] [0.84484875 0.67189651 0.48364391] [0.98033041 0.55956082 0.58350852] [0. 0. 0. ] [0. 0.20990763 0.25 ] [0.92046769 0.27880645 0.83571923] [0.69476784 0.2773952 0.6412621 ] [0.83026008 0.06402463 0.65285811] [0.83164978 0.49315929 0.65407186] [0.93537637 0.71329009 0.55687862]] spacegroup = 15 cell = [[16.1862, 0, 0], [0, 5.5662, 0], [-12.318043233737, 0, 10.45226462982]] ========================================= Step Time Energy fmax BFGS: 0 14:09:29 -135.188639 135.5318 BFGS: 1 14:09:29 -268.482761 70.8696 BFGS: 2 14:09:29 -273.396236 131.7876 BFGS: 3 14:09:29 -298.007073 105.3236 BFGS: 4 14:09:29 -341.962473 59.0318 BFGS: 5 14:09:29 -374.761685 35.4038 BFGS: 6 14:09:29 -387.371106 20.0107 BFGS: 7 14:09:29 -400.094904 8.7366 BFGS: 8 14:09:29 -403.790364 8.0213 BFGS: 9 14:09:29 -406.471631 2.6368 BFGS: 10 14:09:30 -407.884316 3.2017 BFGS: 11 14:09:30 -409.021506 3.5528 BFGS: 12 14:09:30 -410.088037 3.8371 BFGS: 13 14:09:30 -411.147256 4.2209 BFGS: 14 14:09:31 -412.223918 4.6719 BFGS: 15 14:09:31 -413.255203 5.0974 BFGS: 16 14:09:32 -414.528038 5.4103 BFGS: 17 14:09:32 -416.825684 5.5374 BFGS: 18 14:09:32 -420.862794 5.4881 BFGS: 19 14:09:33 -426.321051 7.6184 BFGS: 20 14:09:33 -433.451089 10.5717 BFGS: 21 14:09:34 -442.157528 12.3639 BFGS: 22 14:09:34 -449.961680 8.0580 BFGS: 23 14:09:34 -452.182421 11.2061 BFGS: 24 14:09:35 -453.786381 8.1576 BFGS: 25 14:09:35 -455.221141 6.5902 BFGS: 26 14:09:35 -456.606006 5.4247 BFGS: 27 14:09:35 -457.987571 5.3928 BFGS: 28 14:09:35 -459.360708 5.5634 BFGS: 29 14:09:35 -460.719680 5.7289 BFGS: 30 14:09:35 -462.061962 5.8839 BFGS: 31 14:09:35 -463.384921 6.0318 BFGS: 32 14:09:36 -464.687785 6.1681 BFGS: 33 14:09:36 -465.971512 6.2940 BFGS: 34 14:09:36 -467.237411 6.4092 BFGS: 35 14:09:37 -468.486901 7.1244 BFGS: 36 14:09:37 -469.721698 7.9267 BFGS: 37 14:09:37 -470.943126 8.6584 BFGS: 38 14:09:38 -472.150403 9.3219 BFGS: 39 14:09:38 -473.343843 9.9389 BFGS: 40 14:09:38 -474.524991 10.7065 BFGS: 41 14:09:39 -475.694477 11.5614 BFGS: 42 14:09:39 -476.851897 12.3696 BFGS: 43 14:09:40 -477.998086 13.1319 BFGS: 44 14:09:40 -479.132421 13.8501 BFGS: 45 14:09:40 -480.256318 14.5263 BFGS: 46 14:09:41 -481.368984 15.1632 BFGS: 47 14:09:41 -482.472055 15.7628 BFGS: 48 14:09:41 -483.562948 16.3274 BFGS: 49 14:09:42 -484.646128 16.8598 BFGS: 50 14:09:42 -485.718177 17.3613 BFGS: 51 14:09:42 -486.784989 17.8405 BFGS: 52 14:09:43 -487.840032 18.2870 BFGS: 53 14:09:43 -488.894736 18.7133 BFGS: 54 14:09:43 -489.937707 19.1124 BFGS: 55 14:09:44 -490.985202 19.5024 BFGS: 56 14:09:44 -492.019332 19.8652 BFGS: 57 14:09:44 -493.056659 20.2117 BFGS: 58 14:09:44 -494.091667 20.5458 BFGS: 59 14:09:45 -495.120736 20.8521 BFGS: 60 14:09:45 -496.155042 21.1587 BFGS: 61 14:09:45 -497.181130 21.4379 BFGS: 62 14:09:45 -498.213271 21.7172 BFGS: 63 14:09:46 -499.238851 21.9716 BFGS: 64 14:09:46 -500.268272 22.2229 BFGS: 65 14:09:46 -501.295868 22.4578 BFGS: 66 14:09:46 -502.324654 22.6866 BFGS: 67 14:09:47 -503.352277 22.9043 BFGS: 68 14:09:47 -504.379445 23.1138 BFGS: 69 14:09:47 -505.404780 23.3146 BFGS: 70 14:09:47 -506.428950 23.5082 BFGS: 71 14:09:48 -507.451763 23.6953 BFGS: 72 14:09:48 -508.473454 23.8765 BFGS: 73 14:09:48 -509.494376 24.0518 BFGS: 74 14:09:48 -510.511834 24.1960 BFGS: 75 14:09:48 -511.534524 24.3470 BFGS: 76 14:09:49 -512.567067 24.4909 BFGS: 77 14:09:49 -513.615566 24.6253 BFGS: 78 14:09:49 -514.692571 24.7430 BFGS: 79 14:09:50 -515.813433 24.8316 BFGS: 80 14:09:50 -517.006391 24.9018 BFGS: 81 14:09:50 -518.292758 24.9289 BFGS: 82 14:09:51 -519.698713 24.9173 BFGS: 83 14:09:51 -521.229339 24.8493 BFGS: 84 14:09:51 -522.883734 24.7225 BFGS: 85 14:09:52 -524.668061 24.5294 BFGS: 86 14:09:52 -526.586505 24.2822 BFGS: 87 14:09:52 -528.646614 23.9760 BFGS: 88 14:09:52 -530.856866 23.6211 BFGS: 89 14:09:52 -533.214233 23.2303 BFGS: 90 14:09:53 -535.732511 22.8097 BFGS: 91 14:09:53 -538.410453 22.3717 BFGS: 92 14:09:53 -541.261302 21.9280 BFGS: 93 14:09:53 -544.289563 21.4929 BFGS: 94 14:09:53 -547.524648 21.0738 BFGS: 95 14:09:54 -550.994729 20.6745 BFGS: 96 14:09:54 -554.745569 20.2923 BFGS: 97 14:09:54 -558.843190 19.9181 BFGS: 98 14:09:54 -563.374042 19.5245 BFGS: 99 14:09:54 -568.442746 19.0860 BFGS: 100 14:09:55 -574.157163 18.5302 BFGS: 101 14:09:55 -580.577916 17.7569 BFGS: 102 14:09:55 -587.583177 16.5661 BFGS: 103 14:09:55 -594.193856 15.2644 BFGS: 104 14:09:55 -599.271502 14.3379 BFGS: 105 14:09:56 -603.506078 13.6636 BFGS: 106 14:09:56 -606.974206 13.1853 BFGS: 107 14:09:56 -610.084198 12.8168 BFGS: 108 14:09:57 -612.803711 12.5387 BFGS: 109 14:09:57 -615.419250 12.3441 BFGS: 110 14:09:57 -617.847942 12.1749 BFGS: 111 14:09:57 -620.275851 12.0721 BFGS: 112 14:09:58 -622.621695 11.9725 BFGS: 113 14:09:58 -624.975678 11.9142 BFGS: 114 14:09:58 -627.312783 11.8640 BFGS: 115 14:09:58 -629.651857 11.8317 BFGS: 116 14:09:58 -631.986670 11.8144 BFGS: 117 14:09:58 -634.319419 11.8204 BFGS: 118 14:09:58 -636.631707 11.8451 BFGS: 119 14:09:58 -638.937879 11.8965 BFGS: 120 14:09:59 -641.220502 11.9663 BFGS: 121 14:09:59 -643.493567 12.3652 BFGS: 122 14:09:59 -645.754617 13.1498 BFGS: 123 14:09:59 -648.005279 13.9831 BFGS: 124 14:09:59 -650.248181 14.8699 BFGS: 125 14:10:00 -652.490242 15.8151 BFGS: 126 14:10:00 -654.728733 16.8041 BFGS: 127 14:10:00 -656.968652 17.8416 BFGS: 128 14:10:00 -659.205357 18.9167 BFGS: 129 14:10:00 -661.440341 20.0205 BFGS: 130 14:10:00 -663.658416 21.1454 BFGS: 131 14:10:01 -665.869934 22.2637 BFGS: 132 14:10:01 -668.050794 23.3845 BFGS: 133 14:10:01 -670.212054 24.4416 BFGS: 134 14:10:01 -672.312736 25.4894 BFGS: 135 14:10:02 -674.387755 26.3737 BFGS: 136 14:10:02 -676.372762 27.3004 BFGS: 137 14:10:02 -678.347923 27.9371 BFGS: 138 14:10:03 -680.236164 28.7137 BFGS: 139 14:10:03 -682.136751 29.1773 BFGS: 140 14:10:03 -683.991671 29.7232 BFGS: 141 14:10:04 -685.872020 30.0810 BFGS: 142 14:10:04 -687.767288 30.4502 BFGS: 143 14:10:04 -689.702068 30.7170 BFGS: 144 14:10:05 -691.670883 30.9553 BFGS: 145 14:10:05 -693.663325 31.1196 BFGS: 146 14:10:05 -695.672205 31.2401 BFGS: 147 14:10:06 -697.660991 31.2915 BFGS: 148 14:10:06 -699.611190 31.2927 BFGS: 149 14:10:06 -701.503137 31.2391 BFGS: 150 14:10:06 -703.335575 31.1514 BFGS: 151 14:10:07 -705.111703 31.0355 BFGS: 152 14:10:07 -706.842115 30.9130 BFGS: 153 14:10:08 -708.534862 30.7803 BFGS: 154 14:10:08 -710.200043 30.6539 BFGS: 155 14:10:08 -711.840771 30.5198 BFGS: 156 14:10:08 -713.464131 30.3944 BFGS: 157 14:10:08 -715.065773 30.2564 BFGS: 158 14:10:08 -716.656337 30.1325 BFGS: 159 14:10:09 -718.220493 29.9778 BFGS: 160 14:10:09 -719.767146 29.8635 BFGS: 161 14:10:09 -721.277804 29.7066 BFGS: 162 14:10:09 -722.776195 29.5955 BFGS: 163 14:10:09 -724.234914 29.4490 BFGS: 164 14:10:09 -725.677301 29.3350 BFGS: 165 14:10:10 -727.088484 29.2070 BFGS: 166 14:10:10 -728.484813 29.0946 BFGS: 167 14:10:10 -729.857127 28.9821 BFGS: 168 14:10:10 -731.220693 28.8836 BFGS: 169 14:10:10 -732.563987 28.7899 BFGS: 170 14:10:10 -733.903799 28.6981 BFGS: 171 14:10:11 -735.227813 28.6082 BFGS: 172 14:10:11 -736.552973 28.5316 BFGS: 173 14:10:11 -737.860264 28.4518 BFGS: 174 14:10:11 -739.169422 28.3830 BFGS: 175 14:10:11 -740.464976 28.3280 BFGS: 176 14:10:11 -741.761287 28.2800 BFGS: 177 14:10:11 -743.046826 28.2487 BFGS: 178 14:10:11 -744.329740 28.2155 BFGS: 179 14:10:12 -745.608153 28.2170 BFGS: 180 14:10:12 -746.882911 28.2050 BFGS: 181 14:10:12 -748.158887 28.2488 BFGS: 182 14:10:12 -749.428254 28.2608 BFGS: 183 14:10:12 -750.705852 28.3500 BFGS: 184 14:10:12 -751.978304 28.4234 BFGS: 185 14:10:13 -753.257403 28.5386 BFGS: 186 14:10:13 -754.547746 28.6349 BFGS: 187 14:10:13 -755.973565 29.0884 BFGS: 188 14:10:13 -757.401712 29.5967 BFGS: 189 14:10:13 -758.829833 30.1455 BFGS: 190 14:10:13 -760.262641 30.7551 BFGS: 191 14:10:13 -761.711209 31.4355 BFGS: 192 14:10:13 -763.192101 32.2248 BFGS: 193 14:10:14 -764.731338 33.1670 BFGS: 194 14:10:14 -766.368780 34.3305 BFGS: 195 14:10:14 -768.176888 35.8480 BFGS: 196 14:10:14 -770.297369 37.9119 BFGS: 197 14:10:14 -772.687570 40.2167 BFGS: 198 14:10:14 -774.651188 41.4642 BFGS: 199 14:10:15 -776.321710 42.8252 BFGS: 200 14:10:15 -778.312433 43.5424 BFGS: 201 14:10:15 -779.904330 43.7222 BFGS: 202 14:10:15 -781.188453 44.2141 BFGS: 203 14:10:16 -782.379498 44.5019 BFGS: 204 14:10:16 -783.508109 44.7790 BFGS: 205 14:10:16 -784.625342 44.9399 BFGS: 206 14:10:16 -785.729243 45.0955 BFGS: 207 14:10:16 -786.829369 45.1918 BFGS: 208 14:10:16 -787.928033 45.2897 BFGS: 209 14:10:17 -789.028719 45.3734 BFGS: 210 14:10:17 -790.132474 45.4571 BFGS: 211 14:10:17 -791.246773 45.5422 BFGS: 212 14:10:17 -792.373251 45.6218 BFGS: 213 14:10:17 -793.509699 45.6913 BFGS: 214 14:10:18 -794.657550 45.7510 BFGS: 215 14:10:18 -795.811364 45.7927 BFGS: 216 14:10:18 -796.975095 45.8401 BFGS: 217 14:10:18 -798.146349 45.8578 BFGS: 218 14:10:18 -799.326325 45.8772 BFGS: 219 14:10:18 -800.512991 45.8631 BFGS: 220 14:10:19 -801.705343 45.8521 BFGS: 221 14:10:19 -802.902866 45.8106 BFGS: 222 14:10:19 -804.108990 45.7698 BFGS: 223 14:10:19 -805.324254 45.6974 BFGS: 224 14:10:19 -806.553734 45.6293 BFGS: 225 14:10:19 -807.801053 45.5211 BFGS: 226 14:10:19 -809.072137 45.4181 BFGS: 227 14:10:19 -810.372465 45.2604 BFGS: 228 14:10:20 -811.711358 45.1159 BFGS: 229 14:10:20 -813.113156 44.8977 BFGS: 230 14:10:20 -814.586244 44.6776 BFGS: 231 14:10:20 -816.172732 44.3563 BFGS: 232 14:10:20 -817.906835 44.0269 BFGS: 233 14:10:21 -819.904376 43.5113 BFGS: 234 14:10:21 -822.156772 42.9769 BFGS: 235 14:10:21 -824.594660 42.2630 BFGS: 236 14:10:21 -827.086248 41.7688 BFGS: 237 14:10:22 -829.508053 41.4299 BFGS: 238 14:10:22 -831.754313 41.5079 BFGS: 239 14:10:22 -833.957265 41.7793 BFGS: 240 14:10:22 -836.053964 42.2069 BFGS: 241 14:10:22 -838.114540 42.7207 BFGS: 242 14:10:22 -840.159833 43.2706 BFGS: 243 14:10:23 -842.196942 43.8364 BFGS: 244 14:10:23 -844.240521 44.4060 BFGS: 245 14:10:23 -846.314557 44.9126 BFGS: 246 14:10:23 -848.399909 45.3641 BFGS: 247 14:10:23 -850.381387 45.6764 BFGS: 248 14:10:24 -852.304426 45.9488 BFGS: 249 14:10:24 -854.247175 46.2010 BFGS: 250 14:10:24 -855.908686 46.2959 BFGS: 251 14:10:24 -857.190651 46.2709 BFGS: 252 14:10:24 -858.572013 46.2714 BFGS: 253 14:10:25 -859.839062 46.2477 BFGS: 254 14:10:25 -861.112401 46.2091 BFGS: 255 14:10:25 -862.388122 46.1553 BFGS: 256 14:10:25 -863.664961 46.0837 BFGS: 257 14:10:25 -864.941692 45.9986 BFGS: 258 14:10:25 -866.219340 45.8957 BFGS: 259 14:10:25 -867.496068 45.7794 BFGS: 260 14:10:25 -868.772081 45.6435 BFGS: 261 14:10:25 -870.046282 45.4942 BFGS: 262 14:10:25 -871.319619 45.3207 BFGS: 263 14:10:25 -872.585516 45.1352 BFGS: 264 14:10:25 -873.839559 44.9301 BFGS: 265 14:10:25 -875.090068 44.7112 BFGS: 266 14:10:26 -876.337606 44.4697 BFGS: 267 14:10:26 -877.570572 44.2142 BFGS: 268 14:10:26 -878.788796 43.9337 BFGS: 269 14:10:26 -879.986884 43.6424 BFGS: 270 14:10:26 -881.164819 43.3217 BFGS: 271 14:10:26 -882.315660 42.9946 BFGS: 272 14:10:26 -883.440528 42.6335 BFGS: 273 14:10:26 -884.531063 42.2748 BFGS: 274 14:10:26 -885.591212 41.8738 BFGS: 275 14:10:26 -886.611650 41.4882 BFGS: 276 14:10:26 -887.599967 41.0494 BFGS: 277 14:10:26 -888.544585 40.6428 BFGS: 278 14:10:26 -889.458043 40.1719 BFGS: 279 14:10:27 -890.326213 39.7474 BFGS: 280 14:10:27 -891.166054 39.2563 BFGS: 281 14:10:27 -891.962490 38.8135 BFGS: 282 14:10:27 -892.734468 38.3162 BFGS: 283 14:10:27 -893.466369 37.8598 BFGS: 284 14:10:27 -894.174777 37.3652 BFGS: 285 14:10:27 -894.854817 36.8995 BFGS: 286 14:10:27 -895.518051 36.4081 BFGS: 287 14:10:27 -896.158080 35.9395 BFGS: 288 14:10:27 -896.784738 35.4548 BFGS: 289 14:10:27 -897.394543 34.9925 BFGS: 290 14:10:27 -897.996723 34.5143 BFGS: 291 14:10:27 -898.585809 34.0547 BFGS: 292 14:10:28 -899.170546 33.5854 BFGS: 293 14:10:28 -899.747107 33.1319 BFGS: 294 14:10:28 -900.323434 32.6687 BFGS: 295 14:10:28 -900.894861 32.2199 BFGS: 296 14:10:28 -901.468053 31.7625 BFGS: 297 14:10:28 -902.038069 31.3195 BFGS: 298 14:10:28 -902.612304 30.8653 BFGS: 299 14:10:28 -903.184324 30.4257 BFGS: 300 14:10:28 -903.760632 29.9807 BFGS: 301 14:10:28 -904.337738 29.5449 BFGS: 302 14:10:28 -904.918643 29.1080 BFGS: 303 14:10:28 -905.498346 28.6808 BFGS: 304 14:10:28 -906.081718 28.2546 BFGS: 305 14:10:29 -906.666862 27.8361 BFGS: 306 14:10:29 -907.254546 27.4222 BFGS: 307 14:10:29 -907.842317 27.0184 BFGS: 308 14:10:29 -908.433590 26.6208 BFGS: 309 14:10:29 -909.026065 26.2332 BFGS: 310 14:10:29 -909.621633 25.8548 BFGS: 311 14:10:29 -910.212313 25.4932 BFGS: 312 14:10:29 -910.810677 25.1373 BFGS: 313 14:10:29 -911.409274 24.7976 BFGS: 314 14:10:29 -912.011045 24.4668 BFGS: 315 14:10:29 -912.613474 24.1552 BFGS: 316 14:10:29 -913.219956 23.8550 BFGS: 317 14:10:30 -913.821837 23.5739 BFGS: 318 14:10:30 -914.429949 23.3027 BFGS: 319 14:10:30 -915.035639 23.0592 BFGS: 320 14:10:30 -915.648041 23.2195 BFGS: 321 14:10:30 -916.254986 23.6051 BFGS: 322 14:10:30 -916.870950 24.0486 BFGS: 323 14:10:30 -917.478983 24.4297 BFGS: 324 14:10:30 -918.095226 24.8737 BFGS: 325 14:10:30 -918.706824 25.2516 BFGS: 326 14:10:30 -919.325825 25.6902 BFGS: 327 14:10:30 -919.939411 26.0689 BFGS: 328 14:10:30 -920.559671 26.4970 BFGS: 329 14:10:31 -921.175938 26.8765 BFGS: 330 14:10:31 -921.797603 27.2975 BFGS: 331 14:10:31 -922.414600 27.6760 BFGS: 332 14:10:31 -923.036094 28.0863 BFGS: 333 14:10:31 -923.654306 28.4637 BFGS: 334 14:10:31 -924.275836 28.8640 BFGS: 335 14:10:31 -924.894735 29.2390 BFGS: 336 14:10:31 -925.515571 29.6292 BFGS: 337 14:10:31 -926.135258 30.0006 BFGS: 338 14:10:31 -926.752059 30.3797 BFGS: 339 14:10:31 -927.371500 30.7456 BFGS: 340 14:10:31 -927.992229 31.1156 BFGS: 341 14:10:31 -928.638052 31.4678 BFGS: 342 14:10:32 -929.297405 31.8902 BFGS: 343 14:10:32 -930.027704 32.1743 BFGS: 344 14:10:32 -930.811203 32.1062 BFGS: 345 14:10:32 -931.662380 32.6946 BFGS: 346 14:10:32 -932.561598 32.9525 BFGS: 347 14:10:32 -933.628036 34.0760 BFGS: 348 14:10:32 -934.695224 35.1917 BFGS: 349 14:10:32 -935.775802 36.3261 BFGS: 350 14:10:32 -936.876687 37.4735 BFGS: 351 14:10:32 -938.006457 38.6485 BFGS: 352 14:10:32 -939.173022 39.8491 BFGS: 353 14:10:32 -940.383305 41.0835 BFGS: 354 14:10:33 -941.648013 42.3429 BFGS: 355 14:10:33 -942.973987 43.6421 BFGS: 356 14:10:33 -944.374519 44.9694 BFGS: 357 14:10:33 -945.863372 46.3294 BFGS: 358 14:10:33 -947.455498 47.7092 BFGS: 359 14:10:33 -949.179323 49.1091 BFGS: 360 14:10:33 -951.045410 50.5051 BFGS: 361 14:10:33 -953.082303 51.8854 BFGS: 362 14:10:33 -955.330754 53.2314 BFGS: 363 14:10:33 -957.822751 54.5011 BFGS: 364 14:10:33 -960.601057 55.6758 BFGS: 365 14:10:33 -963.726191 56.7098 BFGS: 366 14:10:34 -967.261481 57.5636 BFGS: 367 14:10:34 -971.294492 58.1982 BFGS: 368 14:10:34 -975.923363 58.5669 BFGS: 369 14:10:34 -981.265412 58.6083 BFGS: 370 14:10:34 -987.510191 58.2732 BFGS: 371 14:10:34 -993.844065 57.6175 BFGS: 372 14:10:34 -999.210661 56.8989 BFGS: 373 14:10:34 -1002.669672 56.4095 BFGS: 374 14:10:34 -1006.274033 55.7523 BFGS: 375 14:10:34 -1009.290430 55.2858 BFGS: 376 14:10:34 -1011.961793 54.7796 BFGS: 377 14:10:35 -1014.291597 54.2760 BFGS: 378 14:10:35 -1016.454958 53.7651 BFGS: 379 14:10:35 -1018.492906 53.2540 BFGS: 380 14:10:35 -1020.435233 52.7447 BFGS: 381 14:10:35 -1022.299668 52.2402 BFGS: 382 14:10:35 -1024.094164 51.7421 BFGS: 383 14:10:35 -1025.827254 51.2474 BFGS: 384 14:10:35 -1027.509293 50.7646 BFGS: 385 14:10:35 -1029.144796 50.2892 BFGS: 386 14:10:35 -1030.738140 49.8231 BFGS: 387 14:10:35 -1032.295191 49.3650 BFGS: 388 14:10:35 -1033.814758 48.9162 BFGS: 389 14:10:36 -1035.300568 48.4754 BFGS: 390 14:10:36 -1036.758945 48.0458 BFGS: 391 14:10:36 -1038.189868 47.6243 BFGS: 392 14:10:36 -1039.596560 47.2132 BFGS: 393 14:10:36 -1040.981551 46.8112 BFGS: 394 14:10:36 -1042.346999 46.4176 BFGS: 395 14:10:36 -1043.695729 46.0336 BFGS: 396 14:10:36 -1045.029025 45.6577 BFGS: 397 14:10:36 -1046.352958 45.2928 BFGS: 398 14:10:36 -1047.667454 44.9350 BFGS: 399 14:10:37 -1048.979102 44.5872 BFGS: 400 14:10:37 -1050.291711 44.2471 BFGS: 401 14:10:37 -1051.610343 43.9167 BFGS: 402 14:10:37 -1052.940977 43.5932 BFGS: 403 14:10:38 -1054.292199 43.2787 BFGS: 404 14:10:38 -1055.671758 42.9714 BFGS: 405 14:10:38 -1057.088473 42.6716 BFGS: 406 14:10:38 -1058.550112 42.3758 BFGS: 407 14:10:38 -1060.053613 42.0817 BFGS: 408 14:10:39 -1061.555328 41.7778 BFGS: 409 14:10:39 -1063.061835 41.4708 BFGS: 410 14:10:39 -1064.577424 41.1551 BFGS: 411 14:10:39 -1066.104163 40.8387 BFGS: 412 14:10:39 -1067.649201 40.5160 BFGS: 413 14:10:39 -1069.209778 40.1975 BFGS: 414 14:10:40 -1070.790858 39.8694 BFGS: 415 14:10:40 -1072.393048 39.5537 BFGS: 416 14:10:40 -1074.017483 39.2167 BFGS: 417 14:10:40 -1075.657490 38.9166 BFGS: 418 14:10:40 -1077.324052 38.5457 BFGS: 419 14:10:40 -1079.199688 38.6542 BFGS: 420 14:10:41 -1081.120741 38.2711 BFGS: 421 14:10:41 -1082.961874 37.9359 BFGS: 422 14:10:41 -1084.750928 37.5744 BFGS: 423 14:10:41 -1086.526513 37.2341 BFGS: 424 14:10:41 -1088.241404 36.8639 BFGS: 425 14:10:42 -1089.928274 36.5257 BFGS: 426 14:10:42 -1091.531581 36.1617 BFGS: 427 14:10:42 -1093.086843 35.8436 BFGS: 428 14:10:42 -1094.535822 35.5042 BFGS: 429 14:10:42 -1095.912169 35.2243 BFGS: 430 14:10:42 -1097.171496 34.9195 BFGS: 431 14:10:43 -1098.355308 34.6650 BFGS: 432 14:10:43 -1099.448571 34.3890 BFGS: 433 14:10:43 -1100.495449 34.1447 BFGS: 434 14:10:43 -1101.492359 33.8800 BFGS: 435 14:10:43 -1102.471338 33.6317 BFGS: 436 14:10:44 -1103.426816 33.3680 BFGS: 437 14:10:44 -1104.377055 33.1125 BFGS: 438 14:10:44 -1105.314834 32.8471 BFGS: 439 14:10:44 -1106.252240 32.5868 BFGS: 440 14:10:44 -1107.185120 32.3219 BFGS: 441 14:10:44 -1108.116472 32.0584 BFGS: 442 14:10:44 -1109.045793 31.7925 BFGS: 443 14:10:44 -1109.974937 31.5277 BFGS: 444 14:10:45 -1110.900834 31.2653 BFGS: 445 14:10:45 -1111.826383 31.3235 BFGS: 446 14:10:45 -1112.750763 31.4995 BFGS: 447 14:10:45 -1113.674188 31.6698 BFGS: 448 14:10:45 -1114.595626 31.8308 BFGS: 449 14:10:45 -1115.515346 31.9824 BFGS: 450 14:10:45 -1116.432568 32.1193 BFGS: 451 14:10:45 -1117.346220 32.2441 BFGS: 452 14:10:45 -1118.257815 32.3453 BFGS: 453 14:10:46 -1119.166648 32.4306 BFGS: 454 14:10:46 -1120.072007 32.4914 BFGS: 455 14:10:46 -1120.976835 32.5278 BFGS: 456 14:10:46 -1121.875322 32.5349 BFGS: 457 14:10:46 -1122.772904 32.5223 BFGS: 458 14:10:46 -1123.662926 32.4723 BFGS: 459 14:10:46 -1124.554436 32.4064 BFGS: 460 14:10:46 -1125.438217 32.2939 BFGS: 461 14:10:47 -1126.325636 32.1833 BFGS: 462 14:10:47 -1127.205587 32.0117 BFGS: 463 14:10:47 -1128.090551 31.8587 BFGS: 464 14:10:47 -1128.970996 31.6500 BFGS: 465 14:10:47 -1129.856624 31.4541 BFGS: 466 14:10:47 -1130.743350 31.2214 BFGS: 467 14:10:47 -1131.635208 30.9910 BFGS: 468 14:10:47 -1132.529747 30.7453 BFGS: 469 14:10:47 -1133.430609 30.5011 BFGS: 470 14:10:47 -1134.335863 30.2485 BFGS: 471 14:10:47 -1135.247874 29.9978 BFGS: 472 14:10:48 -1136.166035 29.7466 BFGS: 473 14:10:48 -1137.090346 29.4937 BFGS: 474 14:10:48 -1138.018884 29.2448 BFGS: 475 14:10:48 -1138.953537 28.9980 BFGS: 476 14:10:48 -1139.892744 28.7532 BFGS: 477 14:10:48 -1140.835791 28.5121 BFGS: 478 14:10:48 -1141.781164 28.2707 BFGS: 479 14:10:48 -1142.727128 28.0332 BFGS: 480 14:10:48 -1143.671760 27.7925 BFGS: 481 14:10:48 -1144.612830 27.5547 BFGS: 482 14:10:48 -1145.547154 27.3083 BFGS: 483 14:10:48 -1146.472151 27.0645 BFGS: 484 14:10:49 -1147.383803 26.8047 BFGS: 485 14:10:49 -1148.280204 26.5490 BFGS: 486 14:10:49 -1149.157010 26.2564 BFGS: 487 14:10:49 -1150.013182 25.9882 BFGS: 488 14:10:49 -1150.845304 25.6466 BFGS: 489 14:10:49 -1151.656744 25.3716 BFGS: 490 14:10:49 -1152.444139 24.9539 BFGS: 491 14:10:49 -1153.214015 24.6802 BFGS: 492 14:10:49 -1153.965713 24.2108 BFGS: 493 14:10:49 -1154.711617 23.8929 BFGS: 494 14:10:49 -1155.455445 23.4266 BFGS: 495 14:10:49 -1156.205335 23.0505 BFGS: 496 14:10:50 -1156.967069 22.5978 BFGS: 497 14:10:50 -1157.743818 22.1986 BFGS: 498 14:10:50 -1158.537602 22.3751 BFGS: 499 14:10:50 -1159.352135 22.5845 BFGS: 500 14:10:50 -1160.187206 22.7942 BFGS: 501 14:10:50 -1161.041442 23.0007 BFGS: 502 14:10:50 -1161.903059 23.1972 BFGS: 503 14:10:50 -1162.770262 23.3824 BFGS: 504 14:10:50 -1163.643045 23.5559 BFGS: 505 14:10:50 -1164.521590 23.7165 BFGS: 506 14:10:50 -1165.404603 23.8660 BFGS: 507 14:10:51 -1166.290450 24.0067 BFGS: 508 14:10:51 -1167.179072 24.1363 BFGS: 509 14:10:51 -1168.069299 24.2569 BFGS: 510 14:10:51 -1168.960264 24.3692 BFGS: 511 14:10:51 -1169.851808 24.4743 BFGS: 512 14:10:51 -1170.743111 24.5732 BFGS: 513 14:10:51 -1171.633935 24.6665 BFGS: 514 14:10:51 -1172.524536 24.7547 BFGS: 515 14:10:51 -1173.414379 24.8394 BFGS: 516 14:10:52 -1174.302981 24.9206 BFGS: 517 14:10:52 -1175.190370 25.0012 BFGS: 518 14:10:52 -1176.076202 25.0749 BFGS: 519 14:10:52 -1176.961774 25.1470 BFGS: 520 14:10:52 -1177.846719 25.2175 BFGS: 521 14:10:52 -1178.729420 25.2864 BFGS: 522 14:10:52 -1179.611783 25.3537 BFGS: 523 14:10:52 -1180.493552 25.4197 BFGS: 524 14:10:52 -1181.374192 25.4844 BFGS: 525 14:10:52 -1182.254339 25.5436 BFGS: 526 14:10:52 -1183.130547 25.6072 BFGS: 527 14:10:53 -1184.009159 25.6618 BFGS: 528 14:10:53 -1184.886899 25.7239 BFGS: 529 14:10:53 -1185.765294 25.7840 BFGS: 530 14:10:53 -1186.642947 25.8454 BFGS: 531 14:10:53 -1187.521146 25.9054 BFGS: 532 14:10:53 -1188.399732 25.9661 BFGS: 533 14:10:53 -1189.276845 26.0307 BFGS: 534 14:10:53 -1190.154951 26.0927 BFGS: 535 14:10:53 -1191.032774 26.1557 BFGS: 536 14:10:53 -1191.910401 26.2186 BFGS: 537 14:10:54 -1192.788694 26.2826 BFGS: 538 14:10:54 -1193.665163 26.3473 BFGS: 539 14:10:54 -1194.543204 26.4126 BFGS: 540 14:10:54 -1195.421186 26.4799 BFGS: 541 14:10:54 -1196.299890 26.5488 BFGS: 542 14:10:54 -1197.175636 26.6201 BFGS: 543 14:10:54 -1198.054091 26.6915 BFGS: 544 14:10:54 -1198.933946 26.7661 BFGS: 545 14:10:54 -1199.813818 26.8427 BFGS: 546 14:10:54 -1200.694036 26.9213 BFGS: 547 14:10:55 -1201.574730 27.0018 BFGS: 548 14:10:55 -1202.454974 27.0843 BFGS: 549 14:10:55 -1203.335936 27.1685 BFGS: 550 14:10:55 -1204.216589 27.2548 BFGS: 551 14:10:55 -1205.097323 27.3407 BFGS: 552 14:10:55 -1205.978683 27.4247 BFGS: 553 14:10:55 -1206.863222 27.5068 BFGS: 554 14:10:55 -1207.751493 27.5885 BFGS: 555 14:10:56 -1208.645100 27.6714 BFGS: 556 14:10:56 -1209.546804 27.7529 BFGS: 557 14:10:56 -1210.457896 27.8375 BFGS: 558 14:10:56 -1211.377299 27.9191 BFGS: 559 14:10:56 -1212.308209 28.0061 BFGS: 560 14:10:56 -1213.250504 28.0888 BFGS: 561 14:10:57 -1214.206637 28.1792 BFGS: 562 14:10:57 -1215.182606 28.2729 BFGS: 563 14:10:57 -1216.175688 28.3698 BFGS: 564 14:10:57 -1217.193366 28.4683 BFGS: 565 14:10:57 -1218.230635 28.5718 BFGS: 566 14:10:57 -1219.291183 28.6781 BFGS: 567 14:10:57 -1220.377516 28.7889 BFGS: 568 14:10:57 -1221.492776 28.9030 BFGS: 569 14:10:57 -1222.639007 29.0217 BFGS: 570 14:10:57 -1223.819372 29.1442 BFGS: 571 14:10:58 -1225.037156 29.2702 BFGS: 572 14:10:58 -1226.296047 29.4028 BFGS: 573 14:10:58 -1227.599678 29.5374 BFGS: 574 14:10:58 -1228.949779 29.6738 BFGS: 575 14:10:58 -1230.350232 29.8113 BFGS: 576 14:10:58 -1231.804407 29.9489 BFGS: 577 14:10:58 -1233.315302 30.0820 BFGS: 578 14:10:58 -1234.886494 30.2083 BFGS: 579 14:10:58 -1236.521640 30.3238 BFGS: 580 14:10:58 -1238.222652 30.4205 BFGS: 581 14:10:58 -1239.991957 30.4911 BFGS: 582 14:10:58 -1241.834833 30.5250 BFGS: 583 14:10:59 -1243.762363 30.5105 BFGS: 584 14:10:59 -1245.829954 30.4282 BFGS: 585 14:10:59 -1247.656143 30.2542 BFGS: 586 14:10:59 -1249.223114 29.9685 BFGS: 587 14:10:59 -1250.816553 29.6340 BFGS: 588 14:10:59 -1252.378330 29.2031 BFGS: 589 14:10:59 -1253.956496 28.7316 BFGS: 590 14:10:59 -1255.521364 28.1969 BFGS: 591 14:10:59 -1257.085952 27.6496 BFGS: 592 14:10:59 -1258.643770 27.5221 BFGS: 593 14:10:59 -1260.194601 27.6971 BFGS: 594 14:11:00 -1261.746531 27.8626 BFGS: 595 14:11:00 -1263.295929 28.0111 BFGS: 596 14:11:00 -1264.854192 28.1484 BFGS: 597 14:11:00 -1266.428213 28.2743 BFGS: 598 14:11:00 -1268.028314 28.3900 BFGS: 599 14:11:00 -1269.670572 28.4945 BFGS: 600 14:11:00 -1271.382347 28.5888 BFGS: 601 14:11:00 -1273.204287 28.6703 BFGS: 602 14:11:00 -1275.197568 28.7293 BFGS: 603 14:11:00 -1277.457085 28.7358 BFGS: 604 14:11:00 -1280.088860 28.6098 BFGS: 605 14:11:01 -1282.280751 28.2637 BFGS: 606 14:11:01 -1284.193119 27.7219 BFGS: 607 14:11:01 -1285.939275 27.0901 BFGS: 608 14:11:01 -1287.563603 26.4349 BFGS: 609 14:11:01 -1289.087764 25.8013 BFGS: 610 14:11:01 -1290.528979 25.1600 BFGS: 611 14:11:01 -1291.899809 24.5796 BFGS: 612 14:11:01 -1293.214267 24.3887 BFGS: 613 14:11:01 -1294.484271 24.4857 BFGS: 614 14:11:01 -1295.696216 24.8836 BFGS: 615 14:11:01 -1296.888178 24.8877 BFGS: 616 14:11:02 -1298.033192 25.0689 BFGS: 617 14:11:02 -1299.162685 25.1045 BFGS: 618 14:11:02 -1300.267574 25.1514 BFGS: 619 14:11:02 -1301.360840 25.1356 BFGS: 620 14:11:02 -1302.440578 25.1012 BFGS: 621 14:11:02 -1303.518246 25.0305 BFGS: 622 14:11:02 -1304.564909 24.9466 BFGS: 623 14:11:02 -1305.580552 24.8535 BFGS: 624 14:11:02 -1306.577274 24.7666 BFGS: 625 14:11:02 -1307.564413 24.6757 BFGS: 626 14:11:02 -1308.549982 24.5959 BFGS: 627 14:11:02 -1309.541550 24.5215 BFGS: 628 14:11:03 -1310.542478 24.4606 BFGS: 629 14:11:03 -1311.556561 24.4011 BFGS: 630 14:11:03 -1312.586512 24.3452 BFGS: 631 14:11:03 -1313.633649 24.2893 BFGS: 632 14:11:03 -1314.695749 24.2329 BFGS: 633 14:11:03 -1315.773361 24.1716 BFGS: 634 14:11:03 -1316.865300 24.1091 BFGS: 635 14:11:03 -1317.970992 24.0429 BFGS: 636 14:11:03 -1319.089943 23.9763 BFGS: 637 14:11:03 -1320.222028 24.3144 BFGS: 638 14:11:03 -1321.365703 24.7698 BFGS: 639 14:11:04 -1322.521415 25.2365 BFGS: 640 14:11:04 -1323.686736 25.7163 BFGS: 641 14:11:04 -1324.858666 26.2102 BFGS: 642 14:11:04 -1326.030803 26.7125 BFGS: 643 14:11:04 -1327.197529 27.2245 BFGS: 644 14:11:04 -1328.352109 27.7381 BFGS: 645 14:11:04 -1329.489588 28.2491 BFGS: 646 14:11:04 -1330.606809 28.7492 BFGS: 647 14:11:04 -1331.701643 29.2343 BFGS: 648 14:11:04 -1332.774043 29.6894 BFGS: 649 14:11:04 -1333.827812 30.1181 BFGS: 650 14:11:05 -1334.865649 30.5002 BFGS: 651 14:11:05 -1335.894283 30.8378 BFGS: 652 14:11:05 -1336.919523 31.1217 BFGS: 653 14:11:05 -1337.949192 31.3534 BFGS: 654 14:11:05 -1338.989247 31.5308 BFGS: 655 14:11:05 -1340.044833 31.6601 BFGS: 656 14:11:05 -1341.117975 31.7396 BFGS: 657 14:11:05 -1342.207877 31.7741 BFGS: 658 14:11:05 -1343.314060 31.7663 BFGS: 659 14:11:05 -1344.432589 31.7177 BFGS: 660 14:11:05 -1345.559439 31.6306 BFGS: 661 14:11:06 -1346.690406 31.5075 BFGS: 662 14:11:06 -1347.820526 31.3473 BFGS: 663 14:11:06 -1348.946650 31.1560 BFGS: 664 14:11:06 -1350.065432 30.9315 BFGS: 665 14:11:06 -1351.175642 30.6812 BFGS: 666 14:11:06 -1352.276295 30.4044 BFGS: 667 14:11:06 -1353.367612 30.1841 BFGS: 668 14:11:06 -1354.450059 30.0421 BFGS: 669 14:11:06 -1355.492249 29.8690 BFGS: 670 14:11:06 -1356.465955 29.6857 BFGS: 671 14:11:06 -1357.384320 29.4903 BFGS: 672 14:11:07 -1358.258287 29.2937 BFGS: 673 14:11:07 -1359.095971 29.0914 BFGS: 674 14:11:07 -1359.904094 28.8924 BFGS: 675 14:11:07 -1360.688004 28.6912 BFGS: 676 14:11:07 -1361.451783 28.4900 BFGS: 677 14:11:07 -1362.198757 28.2932 BFGS: 678 14:11:07 -1362.932027 28.0979 BFGS: 679 14:11:07 -1363.653855 27.9061 BFGS: 680 14:11:07 -1364.366148 27.7168 BFGS: 681 14:11:07 -1365.070459 27.5307 BFGS: 682 14:11:07 -1365.768093 27.3475 BFGS: 683 14:11:08 -1366.460133 27.1675 BFGS: 684 14:11:08 -1367.147505 26.9906 BFGS: 685 14:11:08 -1367.830986 26.8170 BFGS: 686 14:11:08 -1368.511250 26.6465 BFGS: 687 14:11:08 -1369.188953 26.4792 BFGS: 688 14:11:08 -1369.864456 26.3144 BFGS: 689 14:11:08 -1370.538081 26.1536 BFGS: 690 14:11:08 -1371.210324 25.9958 BFGS: 691 14:11:08 -1371.881427 25.8394 BFGS: 692 14:11:08 -1372.551960 25.6852 BFGS: 693 14:11:08 -1373.221777 25.5418 BFGS: 694 14:11:08 -1373.891339 25.3965 BFGS: 695 14:11:09 -1374.561026 25.2571 BFGS: 696 14:11:09 -1375.231088 25.1189 BFGS: 697 14:11:09 -1375.901783 24.9889 BFGS: 698 14:11:09 -1376.572790 24.8553 BFGS: 699 14:11:09 -1377.245129 24.7284 BFGS: 700 14:11:09 -1377.917892 24.6019 BFGS: 701 14:11:09 -1378.592257 24.4811 BFGS: 702 14:11:09 -1379.267956 24.3615 BFGS: 703 14:11:09 -1379.945382 24.2467 BFGS: 704 14:11:09 -1380.624572 24.1358 BFGS: 705 14:11:09 -1381.305637 24.0272 BFGS: 706 14:11:10 -1381.988857 23.9224 BFGS: 707 14:11:10 -1382.674235 23.8200 BFGS: 708 14:11:10 -1383.362071 23.7216 BFGS: 709 14:11:10 -1384.052449 23.6261 BFGS: 710 14:11:10 -1384.745575 23.5341 BFGS: 711 14:11:10 -1385.441392 23.4456 BFGS: 712 14:11:10 -1386.140305 23.3601 BFGS: 713 14:11:10 -1386.842333 23.2789 BFGS: 714 14:11:10 -1387.547299 23.1984 BFGS: 715 14:11:10 -1388.255781 23.1227 BFGS: 716 14:11:10 -1388.967707 23.0492 BFGS: 717 14:11:11 -1389.683330 22.9797 BFGS: 718 14:11:11 -1390.402710 22.9123 BFGS: 719 14:11:11 -1391.126035 22.8482 BFGS: 720 14:11:11 -1391.853406 22.7863 BFGS: 721 14:11:11 -1392.584865 22.7272 BFGS: 722 14:11:11 -1393.320331 22.6701 BFGS: 723 14:11:11 -1394.060074 22.6153 BFGS: 724 14:11:11 -1394.803835 22.5615 BFGS: 725 14:11:11 -1395.551886 22.5099 BFGS: 726 14:11:11 -1396.304066 22.4592 BFGS: 727 14:11:11 -1397.060425 22.4095 BFGS: 728 14:11:11 -1397.820779 22.3601 BFGS: 729 14:11:12 -1398.585203 22.3113 BFGS: 730 14:11:12 -1399.353359 22.2604 BFGS: 731 14:11:12 -1400.125069 22.2100 BFGS: 732 14:11:12 -1400.900081 22.1581 BFGS: 733 14:11:12 -1401.678555 22.1026 BFGS: 734 14:11:12 -1402.460303 22.0500 BFGS: 735 14:11:12 -1403.244360 21.9909 BFGS: 736 14:11:12 -1404.030710 21.9297 BFGS: 737 14:11:12 -1404.818794 21.8636 BFGS: 738 14:11:12 -1405.607860 21.7938 BFGS: 739 14:11:12 -1406.397527 21.7184 BFGS: 740 14:11:12 -1407.186489 21.6382 BFGS: 741 14:11:13 -1407.974671 21.5524 BFGS: 742 14:11:13 -1408.761399 21.4603 BFGS: 743 14:11:13 -1409.545906 21.3616 BFGS: 744 14:11:13 -1410.327511 21.2566 BFGS: 745 14:11:13 -1411.106304 21.1453 BFGS: 746 14:11:13 -1411.880523 21.0269 BFGS: 747 14:11:13 -1412.650611 20.9020 BFGS: 748 14:11:13 -1413.415205 20.7684 BFGS: 749 14:11:13 -1414.174602 20.6304 BFGS: 750 14:11:13 -1414.927442 20.4827 BFGS: 751 14:11:13 -1415.674900 20.3306 BFGS: 752 14:11:14 -1416.414716 20.1698 BFGS: 753 14:11:14 -1417.149213 20.0049 BFGS: 754 14:11:14 -1417.874860 19.8306 BFGS: 755 14:11:14 -1418.595654 19.6534 BFGS: 756 14:11:14 -1419.306608 19.4677 BFGS: 757 14:11:14 -1420.013941 19.2799 BFGS: 758 14:11:14 -1420.709891 19.0837 BFGS: 759 14:11:14 -1421.403325 18.8861 BFGS: 760 14:11:14 -1422.085047 18.6819 BFGS: 761 14:11:14 -1422.764983 18.4773 BFGS: 762 14:11:14 -1423.433322 18.2675 BFGS: 763 14:11:14 -1424.099499 18.0569 BFGS: 764 14:11:15 -1424.754882 17.8431 BFGS: 765 14:11:15 -1425.407059 17.6295 BFGS: 766 14:11:15 -1426.049634 17.4155 BFGS: 767 14:11:15 -1426.687881 17.2018 BFGS: 768 14:11:15 -1427.317581 16.9912 BFGS: 769 14:11:15 -1427.942091 16.7824 BFGS: 770 14:11:15 -1428.558418 16.5780 BFGS: 771 14:11:15 -1429.169014 16.4412 BFGS: 772 14:11:15 -1429.772151 16.6284 BFGS: 773 14:11:15 -1430.369554 16.8093 BFGS: 774 14:11:16 -1430.959922 16.9920 BFGS: 775 14:11:16 -1431.544231 17.1669 BFGS: 776 14:11:16 -1432.121797 17.3428 BFGS: 777 14:11:16 -1432.693683 17.5135 BFGS: 778 14:11:16 -1433.259338 17.6831 BFGS: 779 14:11:16 -1433.819671 17.8481 BFGS: 780 14:11:16 -1434.374431 18.0112 BFGS: 781 14:11:16 -1434.924559 18.1709 BFGS: 782 14:11:16 -1435.470189 18.3280 BFGS: 783 14:11:16 -1436.011791 18.4797 BFGS: 784 14:11:16 -1436.549195 18.6287 BFGS: 785 14:11:16 -1437.083219 18.7746 BFGS: 786 14:11:17 -1437.614024 18.9165 BFGS: 787 14:11:17 -1438.142928 19.0539 BFGS: 788 14:11:17 -1438.670004 19.1879 BFGS: 789 14:11:17 -1439.195530 19.3178 BFGS: 790 14:11:17 -1439.720888 19.4456 BFGS: 791 14:11:17 -1440.246338 19.5684 BFGS: 792 14:11:17 -1440.772756 19.6888 BFGS: 793 14:11:17 -1441.300440 19.8067 BFGS: 794 14:11:17 -1441.829964 19.9217 BFGS: 795 14:11:17 -1442.361926 20.0338 BFGS: 796 14:11:18 -1442.896873 20.1439 BFGS: 797 14:11:18 -1443.431047 20.2503 BFGS: 798 14:11:18 -1443.950134 20.3500 BFGS: 799 14:11:18 -1444.455688 20.4468 BFGS: 800 14:11:18 -1444.949871 20.5384 BFGS: 801 14:11:18 -1445.433644 20.6250 BFGS: 802 14:11:18 -1445.908232 20.7092 BFGS: 803 14:11:18 -1446.374850 20.7956 BFGS: 804 14:11:18 -1446.834085 20.8747 BFGS: 805 14:11:18 -1447.287056 20.9524 BFGS: 806 14:11:18 -1447.733405 21.0276 BFGS: 807 14:11:19 -1448.174665 21.1035 BFGS: 808 14:11:19 -1448.611107 21.1735 BFGS: 809 14:11:19 -1449.043892 21.2476 BFGS: 810 14:11:19 -1449.472244 21.3206 BFGS: 811 14:11:19 -1449.897858 21.3942 BFGS: 812 14:11:19 -1450.319797 21.4665 BFGS: 813 14:11:19 -1450.738568 21.5383 BFGS: 814 14:11:19 -1451.154384 21.6114 BFGS: 815 14:11:19 -1451.568553 21.6850 BFGS: 816 14:11:19 -1451.979899 21.7575 BFGS: 817 14:11:20 -1452.389721 21.8310 BFGS: 818 14:11:20 -1452.798547 21.9013 BFGS: 819 14:11:20 -1453.205722 21.9756 BFGS: 820 14:11:20 -1453.612333 22.0494 BFGS: 821 14:11:20 -1454.015697 22.1257 BFGS: 822 14:11:20 -1454.419217 22.1993 BFGS: 823 14:11:20 -1454.821792 22.2767 BFGS: 824 14:11:20 -1455.224975 22.3496 BFGS: 825 14:11:20 -1455.627763 22.4298 BFGS: 826 14:11:20 -1456.031604 22.5018 BFGS: 827 14:11:20 -1456.435127 22.5801 BFGS: 828 14:11:21 -1456.840417 22.6522 BFGS: 829 14:11:21 -1457.245949 22.7304 BFGS: 830 14:11:21 -1457.653614 22.8029 BFGS: 831 14:11:21 -1458.062356 22.8802 BFGS: 832 14:11:21 -1458.473716 22.9508 BFGS: 833 14:11:21 -1458.886753 23.0273 BFGS: 834 14:11:21 -1459.302181 23.0994 BFGS: 835 14:11:21 -1459.720563 23.1743 BFGS: 836 14:11:21 -1460.141448 23.2472 BFGS: 837 14:11:21 -1460.566016 23.3213 BFGS: 838 14:11:22 -1460.993517 23.3939 BFGS: 839 14:11:22 -1461.425506 23.4672 BFGS: 840 14:11:22 -1461.860692 23.5393 BFGS: 841 14:11:22 -1462.301297 23.6116 BFGS: 842 14:11:22 -1462.745685 23.6828 BFGS: 843 14:11:22 -1463.196249 23.7568 BFGS: 844 14:11:22 -1463.650312 23.8266 BFGS: 845 14:11:22 -1464.108288 23.8962 BFGS: 846 14:11:22 -1464.560152 23.9619 BFGS: 847 14:11:22 -1465.007151 24.0273 BFGS: 848 14:11:23 -1465.448812 24.0897 BFGS: 849 14:11:23 -1465.886099 24.1523 BFGS: 850 14:11:23 -1466.318911 24.2107 BFGS: 851 14:11:23 -1466.747794 24.2694 BFGS: 852 14:11:23 -1467.172769 24.3242 BFGS: 853 14:11:23 -1467.594671 24.3782 BFGS: 854 14:11:23 -1468.013656 24.4307 BFGS: 855 14:11:23 -1468.430514 24.4831 BFGS: 856 14:11:23 -1468.845067 24.5347 BFGS: 857 14:11:23 -1469.258640 24.5879 BFGS: 858 14:11:24 -1469.670726 24.6389 BFGS: 859 14:11:24 -1470.082510 24.6905 BFGS: 860 14:11:24 -1470.493920 24.7420 BFGS: 861 14:11:24 -1470.905577 24.7950 BFGS: 862 14:11:24 -1471.317952 24.8472 BFGS: 863 14:11:24 -1471.730417 24.9027 BFGS: 864 14:11:24 -1472.144207 24.9596 BFGS: 865 14:11:24 -1472.559119 25.0182 BFGS: 866 14:11:24 -1472.975685 25.0759 BFGS: 867 14:11:24 -1473.393240 25.1383 BFGS: 868 14:11:25 -1473.812716 25.2018 BFGS: 869 14:11:25 -1474.232918 25.2685 BFGS: 870 14:11:25 -1474.654512 25.3372 BFGS: 871 14:11:25 -1475.077120 25.4078 BFGS: 872 14:11:25 -1475.500717 25.4803 BFGS: 873 14:11:25 -1475.925212 25.5549 BFGS: 874 14:11:25 -1476.349682 25.6310 BFGS: 875 14:11:25 -1476.774790 25.7085 BFGS: 876 14:11:25 -1477.199749 25.7836 BFGS: 877 14:11:25 -1477.624384 25.8593 BFGS: 878 14:11:25 -1478.048439 25.9399 BFGS: 879 14:11:26 -1478.471953 26.0200 BFGS: 880 14:11:26 -1478.895151 26.1003 BFGS: 881 14:11:26 -1479.317451 26.1803 BFGS: 882 14:11:26 -1479.739286 26.2584 BFGS: 883 14:11:26 -1480.160024 26.3358 BFGS: 884 14:11:26 -1480.580155 26.4114 BFGS: 885 14:11:26 -1480.999344 26.4866 BFGS: 886 14:11:26 -1481.418230 26.5567 BFGS: 887 14:11:26 -1481.835755 26.6279 BFGS: 888 14:11:26 -1482.252789 26.6970 BFGS: 889 14:11:27 -1482.669234 26.7635 BFGS: 890 14:11:27 -1483.085130 26.8259 BFGS: 891 14:11:27 -1483.500163 26.8892 BFGS: 892 14:11:27 -1483.915279 26.9491 BFGS: 893 14:11:27 -1484.329918 27.0087 BFGS: 894 14:11:27 -1484.744696 27.0631 BFGS: 895 14:11:27 -1485.159163 27.1152 BFGS: 896 14:11:27 -1485.574346 27.1677 BFGS: 897 14:11:27 -1485.990036 27.2108 BFGS: 898 14:11:28 -1486.405229 27.2548 BFGS: 899 14:11:28 -1486.821155 27.2957 BFGS: 900 14:11:28 -1487.237755 27.3340 BFGS: 901 14:11:28 -1487.654484 27.3702 BFGS: 902 14:11:28 -1488.072520 27.4029 BFGS: 903 14:11:28 -1488.491290 27.4321 BFGS: 904 14:11:28 -1488.911454 27.4592 BFGS: 905 14:11:28 -1489.332711 27.4830 BFGS: 906 14:11:28 -1489.755473 27.5044 BFGS: 907 14:11:28 -1490.179671 27.5250 BFGS: 908 14:11:28 -1490.605169 27.5422 BFGS: 909 14:11:29 -1491.032588 27.5573 BFGS: 910 14:11:29 -1491.461566 27.5708 BFGS: 911 14:11:29 -1491.892917 27.5821 BFGS: 912 14:11:29 -1492.326027 27.5924 BFGS: 913 14:11:29 -1492.761306 27.6007 BFGS: 914 14:11:29 -1493.199067 27.6073 BFGS: 915 14:11:29 -1493.639287 27.6125 BFGS: 916 14:11:29 -1494.082279 27.6152 BFGS: 917 14:11:29 -1494.527618 27.6192 BFGS: 918 14:11:29 -1494.976154 27.6223 BFGS: 919 14:11:30 -1495.427412 27.6241 BFGS: 920 14:11:30 -1495.881169 27.6270 BFGS: 921 14:11:30 -1496.338071 27.6277 BFGS: 922 14:11:30 -1496.798308 27.6304 BFGS: 923 14:11:30 -1497.261646 27.6301 BFGS: 924 14:11:30 -1497.728071 27.6300 BFGS: 925 14:11:30 -1498.197545 27.6296 BFGS: 926 14:11:30 -1498.670191 27.6319 BFGS: 927 14:11:30 -1499.145711 27.6310 BFGS: 928 14:11:30 -1499.624164 27.6307 BFGS: 929 14:11:31 -1500.106051 27.6296 BFGS: 930 14:11:31 -1500.590534 27.6293 BFGS: 931 14:11:31 -1501.078052 27.6286 BFGS: 932 14:11:31 -1501.568150 27.6280 BFGS: 933 14:11:31 -1502.061047 27.6265 BFGS: 934 14:11:31 -1502.556976 27.6238 BFGS: 935 14:11:31 -1503.055625 27.6204 BFGS: 936 14:11:31 -1503.556995 27.6166 BFGS: 937 14:11:31 -1504.061034 27.6109 BFGS: 938 14:11:31 -1504.567762 27.6037 BFGS: 939 14:11:32 -1505.077279 27.5944 BFGS: 940 14:11:32 -1505.589823 27.5816 BFGS: 941 14:11:32 -1506.105182 27.5686 BFGS: 942 14:11:32 -1506.623360 27.5532 BFGS: 943 14:11:32 -1507.145106 27.5370 BFGS: 944 14:11:32 -1507.670080 27.5155 BFGS: 945 14:11:32 -1508.198719 27.4906 BFGS: 946 14:11:32 -1508.730089 27.4642 BFGS: 947 14:11:32 -1509.265557 27.4346 BFGS: 948 14:11:33 -1509.805054 27.4009 BFGS: 949 14:11:33 -1510.348731 27.3641 BFGS: 950 14:11:33 -1510.897530 27.3223 BFGS: 951 14:11:33 -1511.450936 27.2782 BFGS: 952 14:11:33 -1512.009141 27.2300 BFGS: 953 14:11:33 -1512.573795 27.1780 BFGS: 954 14:11:33 -1513.143978 27.1217 BFGS: 955 14:11:33 -1513.721737 27.0634 BFGS: 956 14:11:33 -1514.305254 26.9979 BFGS: 957 14:11:33 -1514.897694 26.9273 BFGS: 958 14:11:34 -1515.496852 26.8523 BFGS: 959 14:11:34 -1516.106869 26.7671 BFGS: 960 14:11:34 -1516.723555 26.6848 BFGS: 961 14:11:34 -1517.353676 26.5868 BFGS: 962 14:11:34 -1517.992365 26.4859 BFGS: 963 14:11:34 -1518.645606 26.3751 BFGS: 964 14:11:34 -1519.310165 26.2581 BFGS: 965 14:11:34 -1519.994468 26.1250 BFGS: 966 14:11:34 -1520.691977 25.9839 BFGS: 967 14:11:35 -1521.415112 25.8239 BFGS: 968 14:11:35 -1522.157600 25.6563 BFGS: 969 14:11:35 -1522.933403 25.4574 BFGS: 970 14:11:35 -1523.735799 25.2446 BFGS: 971 14:11:35 -1524.587284 24.9902 BFGS: 972 14:11:35 -1525.477221 24.7154 BFGS: 973 14:11:35 -1526.378612 24.3957 BFGS: 974 14:11:35 -1527.298557 24.0592 BFGS: 975 14:11:35 -1528.229000 23.6664 BFGS: 976 14:11:35 -1529.201352 23.2522 BFGS: 977 14:11:36 -1530.207216 22.7495 BFGS: 978 14:11:36 -1531.299231 22.2024 BFGS: 979 14:11:36 -1532.478359 21.5169 BFGS: 980 14:11:36 -1533.861856 20.6821 BFGS: 981 14:11:36 -1535.344110 19.6391 BFGS: 982 14:11:36 -1536.329271 18.9702 BFGS: 983 14:11:36 -1537.080921 18.4947 BFGS: 984 14:11:36 -1537.768310 18.1275 BFGS: 985 14:11:36 -1538.415741 17.8351 BFGS: 986 14:11:36 -1539.051078 17.5945 BFGS: 987 14:11:37 -1539.678477 17.3941 BFGS: 988 14:11:37 -1540.306266 17.2219 BFGS: 989 14:11:37 -1540.935327 17.0747 BFGS: 990 14:11:37 -1541.567535 16.9408 BFGS: 991 14:11:37 -1542.202463 16.8288 BFGS: 992 14:11:37 -1542.840562 16.7252 BFGS: 993 14:11:37 -1543.480823 16.6340 BFGS: 994 14:11:37 -1544.123155 16.5539 BFGS: 995 14:11:37 -1544.738001 16.4761 BFGS: 996 14:11:37 -1545.324454 16.4081 BFGS: 997 14:11:37 -1545.886113 16.3440 BFGS: 998 14:11:38 -1546.425466 16.2834 BFGS: 999 14:11:38 -1546.944878 16.2239 BFGS: 1000 14:11:38 -1547.445820 16.1609 BFGS: 1001 14:11:38 -1547.929967 16.1023 BFGS: 1002 14:11:38 -1548.398528 16.0422 BFGS: 1003 14:11:38 -1548.852778 15.9831 BFGS: 1004 14:11:38 -1549.293418 15.9179 BFGS: 1005 14:11:38 -1549.721144 15.8507 BFGS: 1006 14:11:38 -1550.137186 15.7795 BFGS: 1007 14:11:39 -1550.542108 15.7031 BFGS: 1008 14:11:39 -1550.936538 15.6245 BFGS: 1009 14:11:39 -1551.321123 15.5414 BFGS: 1010 14:11:39 -1551.696513 15.4537 BFGS: 1011 14:11:39 -1552.062890 15.3674 BFGS: 1012 14:11:39 -1552.421381 15.2666 BFGS: 1013 14:11:39 -1552.771325 15.1651 BFGS: 1014 14:11:39 -1553.113985 15.0575 BFGS: 1015 14:11:39 -1553.450028 14.9463 BFGS: 1016 14:11:39 -1553.779759 14.8293 BFGS: 1017 14:11:40 -1554.103678 14.7072 BFGS: 1018 14:11:40 -1554.422255 14.5847 BFGS: 1019 14:11:40 -1554.736956 14.4523 BFGS: 1020 14:11:40 -1555.048663 14.3160 BFGS: 1021 14:11:40 -1555.358857 14.1758 BFGS: 1022 14:11:40 -1555.669763 14.0327 BFGS: 1023 14:11:40 -1555.984496 13.8887 BFGS: 1024 14:11:40 -1556.308727 13.7460 BFGS: 1025 14:11:40 -1556.639669 13.6089 BFGS: 1026 14:11:41 -1556.919061 13.5046 BFGS: 1027 14:11:41 -1557.171018 13.4177 BFGS: 1028 14:11:41 -1557.411172 13.3327 BFGS: 1029 14:11:41 -1557.648901 13.2379 BFGS: 1030 14:11:41 -1557.887930 13.1289 BFGS: 1031 14:11:41 -1558.128730 13.0037 BFGS: 1032 14:11:41 -1558.369975 12.8639 BFGS: 1033 14:11:41 -1558.608678 12.7042 BFGS: 1034 14:11:41 -1558.842448 12.5301 BFGS: 1035 14:11:41 -1559.067384 12.3411 BFGS: 1036 14:11:42 -1559.280519 12.1363 BFGS: 1037 14:11:42 -1559.479364 11.9244 BFGS: 1038 14:11:42 -1559.655194 11.7115 BFGS: 1039 14:11:42 -1559.811643 11.4988 BFGS: 1040 14:11:42 -1559.952223 11.2888 BFGS: 1041 14:11:42 -1560.081932 11.0831 BFGS: 1042 14:11:42 -1560.207012 10.8808 BFGS: 1043 14:11:42 -1560.331629 10.6967 BFGS: 1044 14:11:42 -1560.457861 10.5564 BFGS: 1045 14:11:43 -1560.589191 10.4775 BFGS: 1046 14:11:43 -1560.724319 10.4662 BFGS: 1047 14:11:43 -1560.858543 10.5156 BFGS: 1048 14:11:43 -1560.987541 10.6127 BFGS: 1049 14:11:43 -1561.108997 10.7461 BFGS: 1050 14:11:43 -1561.223133 10.9047 BFGS: 1051 14:11:43 -1561.333039 11.0749 BFGS: 1052 14:11:43 -1561.449215 11.2384 BFGS: 1053 14:11:43 -1561.563516 11.3288 BFGS: 1054 14:11:43 -1561.681082 11.3457 BFGS: 1055 14:11:44 -1561.802311 11.3122 BFGS: 1056 14:11:44 -1561.925873 11.2438 BFGS: 1057 14:11:44 -1562.050668 11.1537 BFGS: 1058 14:11:44 -1562.175706 11.0505 BFGS: 1059 14:11:44 -1562.300236 10.9394 BFGS: 1060 14:11:44 -1562.423783 10.8236 BFGS: 1061 14:11:44 -1562.546171 10.7009 BFGS: 1062 14:11:44 -1562.666256 10.5836 BFGS: 1063 14:11:44 -1562.785533 10.4625 BFGS: 1064 14:11:45 -1562.903464 10.3494 BFGS: 1065 14:11:45 -1563.021449 10.2331 BFGS: 1066 14:11:45 -1563.140890 10.1120 BFGS: 1067 14:11:45 -1563.263567 9.9894 BFGS: 1068 14:11:45 -1563.372804 9.8851 BFGS: 1069 14:11:45 -1563.475482 9.7974 BFGS: 1070 14:11:45 -1563.578036 9.7200 BFGS: 1071 14:11:45 -1563.682867 9.6566 BFGS: 1072 14:11:45 -1563.789156 9.6007 BFGS: 1073 14:11:46 -1563.897127 9.5548 BFGS: 1074 14:11:46 -1564.007649 9.5179 BFGS: 1075 14:11:46 -1564.121479 9.4851 BFGS: 1076 14:11:46 -1564.238885 9.4608 BFGS: 1077 14:11:46 -1564.361527 9.4476 BFGS: 1078 14:11:46 -1564.485381 9.4484 BFGS: 1079 14:11:46 -1564.615124 9.4648 BFGS: 1080 14:11:46 -1564.769999 9.4965 BFGS: 1081 14:11:46 -1564.971034 9.5092 BFGS: 1082 14:11:46 -1565.205186 9.3852 BFGS: 1083 14:11:47 -1565.367914 9.1702 BFGS: 1084 14:11:47 -1565.512999 8.8922 BFGS: 1085 14:11:47 -1565.644191 8.5604 BFGS: 1086 14:11:47 -1565.773797 8.1075 BFGS: 1087 14:11:47 -1565.872050 7.8376 BFGS: 1088 14:11:47 -1565.999251 7.5901 BFGS: 1089 14:11:47 -1566.100539 7.4679 BFGS: 1090 14:11:47 -1566.191937 7.3921 BFGS: 1091 14:11:47 -1566.277925 7.3445 BFGS: 1092 14:11:48 -1566.359989 7.3143 BFGS: 1093 14:11:48 -1566.438520 7.2941 BFGS: 1094 14:11:48 -1566.514187 7.2791 BFGS: 1095 14:11:48 -1566.587362 7.2650 BFGS: 1096 14:11:48 -1566.658312 7.2511 BFGS: 1097 14:11:48 -1566.727293 7.2293 BFGS: 1098 14:11:48 -1566.794912 7.1966 BFGS: 1099 14:11:48 -1566.861496 7.1565 BFGS: 1100 14:11:48 -1566.928271 7.1018 BFGS: 1101 14:11:49 -1566.995522 7.0316 BFGS: 1102 14:11:49 -1567.064904 6.9379 BFGS: 1103 14:11:49 -1567.137814 6.8138 BFGS: 1104 14:11:49 -1567.217000 6.6483 BFGS: 1105 14:11:49 -1567.306886 6.4586 BFGS: 1106 14:11:49 -1567.412984 6.6421 BFGS: 1107 14:11:49 -1567.560408 6.9390 BFGS: 1108 14:11:49 -1567.669314 7.0980 BFGS: 1109 14:11:49 -1567.765127 7.1515 BFGS: 1110 14:11:50 -1567.843031 7.1493 BFGS: 1111 14:11:50 -1567.917334 7.1187 BFGS: 1112 14:11:50 -1567.991953 7.0700 BFGS: 1113 14:11:50 -1568.070372 7.0071 BFGS: 1114 14:11:50 -1568.155145 6.9299 BFGS: 1115 14:11:50 -1568.249361 6.8374 BFGS: 1116 14:11:50 -1568.355821 6.7275 BFGS: 1117 14:11:50 -1568.480002 6.5971 BFGS: 1118 14:11:50 -1568.631313 6.4354 BFGS: 1119 14:11:50 -1568.823672 6.2263 BFGS: 1120 14:11:51 -1569.078624 6.3618 BFGS: 1121 14:11:51 -1569.350217 6.7659 BFGS: 1122 14:11:51 -1569.658626 7.1644 BFGS: 1123 14:11:51 -1570.029351 7.5180 BFGS: 1124 14:11:51 -1570.250592 7.5991 BFGS: 1125 14:11:51 -1570.425427 7.5749 BFGS: 1126 14:11:51 -1570.581511 7.5002 BFGS: 1127 14:11:51 -1570.726164 7.3894 BFGS: 1128 14:11:51 -1570.864129 7.2585 BFGS: 1129 14:11:52 -1570.996508 7.1089 BFGS: 1130 14:11:52 -1571.123732 6.9475 BFGS: 1131 14:11:52 -1571.246343 6.8713 BFGS: 1132 14:11:52 -1571.364641 6.9716 BFGS: 1133 14:11:52 -1571.478046 7.0666 BFGS: 1134 14:11:52 -1571.587393 7.1543 BFGS: 1135 14:11:52 -1571.692125 7.2382 BFGS: 1136 14:11:52 -1571.792482 7.3146 BFGS: 1137 14:11:52 -1571.888432 7.3858 BFGS: 1138 14:11:53 -1571.979954 7.4501 BFGS: 1139 14:11:53 -1572.066999 7.5087 BFGS: 1140 14:11:53 -1572.149496 7.6034 BFGS: 1141 14:11:53 -1572.227545 7.7450 BFGS: 1142 14:11:53 -1572.301076 7.8843 BFGS: 1143 14:11:53 -1572.370215 8.0192 BFGS: 1144 14:11:53 -1572.434915 8.1499 BFGS: 1145 14:11:53 -1572.495294 8.2770 BFGS: 1146 14:11:53 -1572.551529 8.3975 BFGS: 1147 14:11:54 -1572.603304 8.5096 BFGS: 1148 14:11:54 -1572.651502 8.6198 BFGS: 1149 14:11:54 -1572.696140 8.7130 BFGS: 1150 14:11:54 -1572.738996 8.7994 BFGS: 1151 14:11:54 -1572.781934 8.8581 BFGS: 1152 14:11:54 -1572.828443 8.8758 BFGS: 1153 14:11:54 -1572.884007 8.7963 BFGS: 1154 14:11:54 -1572.935133 8.6211 BFGS: 1155 14:11:54 -1572.974430 8.4557 BFGS: 1156 14:11:54 -1573.006602 8.3013 BFGS: 1157 14:11:55 -1573.033063 8.1577 BFGS: 1158 14:11:55 -1573.054183 8.0167 BFGS: 1159 14:11:55 -1573.070571 7.8801 BFGS: 1160 14:11:55 -1573.082991 7.7391 BFGS: 1161 14:11:55 -1573.093010 7.6436 BFGS: 1162 14:11:55 -1573.108158 7.5510 BFGS: 1163 14:11:55 -1573.143470 7.4933 BFGS: 1164 14:11:55 -1573.197263 7.4079 BFGS: 1165 14:11:55 -1573.252500 7.5163 BFGS: 1166 14:11:56 -1573.301963 7.5582 BFGS: 1167 14:11:56 -1573.353227 7.5853 BFGS: 1168 14:11:56 -1573.409850 7.5934 BFGS: 1169 14:11:56 -1573.470183 7.5794 BFGS: 1170 14:11:56 -1573.537516 7.5512 BFGS: 1171 14:11:56 -1573.612124 7.4952 BFGS: 1172 14:11:56 -1573.692652 7.4246 BFGS: 1173 14:11:56 -1573.780432 7.3340 BFGS: 1174 14:11:56 -1573.873516 7.2327 BFGS: 1175 14:11:57 -1573.973036 7.1139 BFGS: 1176 14:11:57 -1574.077583 6.9847 BFGS: 1177 14:11:57 -1574.186470 6.8413 BFGS: 1178 14:11:57 -1574.300571 6.6921 BFGS: 1179 14:11:57 -1574.418505 6.5304 BFGS: 1180 14:11:57 -1574.540413 6.3602 BFGS: 1181 14:11:57 -1574.664206 6.1826 BFGS: 1182 14:11:57 -1574.789599 5.9969 BFGS: 1183 14:11:57 -1574.915434 5.8099 BFGS: 1184 14:11:57 -1575.042626 5.6705 BFGS: 1185 14:11:58 -1575.169584 5.5425 BFGS: 1186 14:11:58 -1575.294695 5.5455 BFGS: 1187 14:11:58 -1575.417348 5.5533 BFGS: 1188 14:11:58 -1575.537721 5.5663 BFGS: 1189 14:11:58 -1575.655372 5.5796 BFGS: 1190 14:11:58 -1575.766896 5.6042 BFGS: 1191 14:11:58 -1575.873412 5.6279 BFGS: 1192 14:11:58 -1575.973912 5.6561 BFGS: 1193 14:11:58 -1576.067159 5.6893 BFGS: 1194 14:11:59 -1576.150528 5.7181 BFGS: 1195 14:11:59 -1576.224455 5.7592 BFGS: 1196 14:11:59 -1576.287417 5.7930 BFGS: 1197 14:11:59 -1576.338871 5.8275 BFGS: 1198 14:11:59 -1576.378103 5.8611 BFGS: 1199 14:11:59 -1576.405272 5.8885 BFGS: 1200 14:11:59 -1576.421526 5.9001 BFGS: 1201 14:11:59 -1576.430421 5.9023 BFGS: 1202 14:11:59 -1576.443182 5.8767 BFGS: 1203 14:12:00 -1576.457374 5.8391 BFGS: 1204 14:12:00 -1576.471552 5.8254 BFGS: 1205 14:12:00 -1576.487520 5.7984 BFGS: 1206 14:12:00 -1576.508968 5.7565 BFGS: 1207 14:12:00 -1576.547371 5.6110 BFGS: 1208 14:12:00 -1576.632871 5.3858 BFGS: 1209 14:12:00 -1576.794881 4.8155 BFGS: 1210 14:12:00 -1576.914366 4.5682 BFGS: 1211 14:12:00 -1576.994145 4.4201 BFGS: 1212 14:12:01 -1577.057749 4.3508 BFGS: 1213 14:12:01 -1577.110396 4.2892 BFGS: 1214 14:12:01 -1577.153151 4.2483 BFGS: 1215 14:12:01 -1577.186553 4.2087 BFGS: 1216 14:12:01 -1577.210887 4.1767 BFGS: 1217 14:12:01 -1577.226788 4.1441 BFGS: 1218 14:12:01 -1577.235483 4.1146 BFGS: 1219 14:12:01 -1577.240167 4.1049 BFGS: 1220 14:12:01 -1577.259057 4.0978 BFGS: 1221 14:12:02 -1577.287579 4.0664 BFGS: 1222 14:12:02 -1577.362876 4.0843 BFGS: 1223 14:12:02 -1577.481835 4.0875 BFGS: 1224 14:12:02 -1577.624685 4.1953 BFGS: 1225 14:12:02 -1577.760160 4.2830 BFGS: 1226 14:12:02 -1577.900016 4.3656 BFGS: 1227 14:12:02 -1578.032605 4.3984 BFGS: 1228 14:12:02 -1578.150898 4.3865 BFGS: 1229 14:12:02 -1578.249984 4.5000 BFGS: 1230 14:12:02 -1578.326672 4.6491 BFGS: 1231 14:12:03 -1578.373510 4.7924 BFGS: 1232 14:12:03 -1578.383287 4.7827 BFGS: 1233 14:12:03 -1578.388885 4.7566 BFGS: 1234 14:12:03 -1578.390605 4.7033 BFGS: 1235 14:12:03 -1578.391961 4.7016 BFGS: 1236 14:12:03 -1578.393883 4.6855 BFGS: 1237 14:12:03 -1578.398025 4.6723 BFGS: 1238 14:12:03 -1578.405633 4.6606 BFGS: 1239 14:12:03 -1578.420078 4.6335 BFGS: 1240 14:12:04 -1578.452934 4.5834 BFGS: 1241 14:12:04 -1578.512899 4.4239 BFGS: 1242 14:12:04 -1578.631649 4.1211 BFGS: 1243 14:12:04 -1578.813272 4.6443 BFGS: 1244 14:12:04 -1578.983788 5.3429 BFGS: 1245 14:12:04 -1579.045445 5.3969 BFGS: 1246 14:12:04 -1579.085413 5.3489 BFGS: 1247 14:12:04 -1579.111841 5.2930 BFGS: 1248 14:12:04 -1579.126850 5.2429 BFGS: 1249 14:12:04 -1579.131342 5.2253 BFGS: 1250 14:12:05 -1579.132593 5.2303 BFGS: 1251 14:12:05 -1579.134105 5.2738 BFGS: 1252 14:12:05 -1579.134528 5.2557 BFGS: 1253 14:12:05 -1579.148569 5.1356 BFGS: 1254 14:12:05 -1579.264364 4.2137 BFGS: 1255 14:12:05 -1579.391518 3.5733 BFGS: 1256 14:12:05 -1579.505989 3.3779 BFGS: 1257 14:12:05 -1579.611213 3.2874 BFGS: 1258 14:12:05 -1579.714688 3.1712 BFGS: 1259 14:12:05 -1579.814531 3.2271 BFGS: 1260 14:12:06 -1579.905897 3.3480 BFGS: 1261 14:12:06 -1579.979006 3.5335 BFGS: 1262 14:12:06 -1580.024456 3.7805 BFGS: 1263 14:12:06 -1580.034668 3.9627 BFGS: 1264 14:12:06 -1580.036162 3.9859 BFGS: 1265 14:12:06 -1580.037275 3.9908 BFGS: 1266 14:12:06 -1580.037529 3.9860 BFGS: 1267 14:12:06 -1580.037771 3.9776 BFGS: 1268 14:12:06 -1580.037797 3.9800 BFGS: 1269 14:12:06 -1580.037818 3.9845 BFGS: 1270 14:12:07 -1580.037829 3.9867 BFGS: 1271 14:12:07 -1580.037869 3.9939 BFGS: 1272 14:12:07 -1580.037936 4.0026 BFGS: 1273 14:12:07 -1580.038095 4.0173 BFGS: 1274 14:12:07 -1580.038434 4.0377 BFGS: 1275 14:12:07 -1580.039232 4.0680 BFGS: 1276 14:12:07 -1580.041128 4.1118 BFGS: 1277 14:12:07 -1580.045795 4.1772 BFGS: 1278 14:12:07 -1580.057507 4.2770 BFGS: 1279 14:12:07 -1580.087213 4.4325 BFGS: 1280 14:12:08 -1580.152535 4.6257 BFGS: 1281 14:12:08 -1580.245594 4.7714 BFGS: 1282 14:12:08 -1580.365937 4.8775 BFGS: 1283 14:12:08 -1580.506300 4.9604 BFGS: 1284 14:12:08 -1580.658359 5.0180 BFGS: 1285 14:12:08 -1580.815670 5.0683 BFGS: 1286 14:12:08 -1580.975761 5.1089 BFGS: 1287 14:12:08 -1581.135640 5.1471 BFGS: 1288 14:12:08 -1581.305502 5.1643 BFGS: 1289 14:12:08 -1581.483692 5.1660 BFGS: 1290 14:12:09 -1581.679419 5.1470 BFGS: 1291 14:12:09 -1581.890611 5.1108 BFGS: 1292 14:12:09 -1582.122077 5.0638 BFGS: 1293 14:12:09 -1582.369957 4.9942 BFGS: 1294 14:12:09 -1582.634398 4.9146 BFGS: 1295 14:12:09 -1582.916219 4.8222 BFGS: 1296 14:12:09 -1583.215664 4.7212 BFGS: 1297 14:12:09 -1583.533483 4.6106 BFGS: 1298 14:12:09 -1583.868897 4.4945 BFGS: 1299 14:12:10 -1584.223693 4.3683 BFGS: 1300 14:12:10 -1584.596084 4.2467 BFGS: 1301 14:12:10 -1584.985060 4.1193 BFGS: 1302 14:12:10 -1585.392770 3.9918 BFGS: 1303 14:12:10 -1585.818158 3.8676 BFGS: 1304 14:12:10 -1586.257879 3.7417 BFGS: 1305 14:12:10 -1586.710732 3.6215 BFGS: 1306 14:12:10 -1587.176238 3.5045 BFGS: 1307 14:12:10 -1587.655176 3.3950 BFGS: 1308 14:12:11 -1588.143759 3.2809 BFGS: 1309 14:12:11 -1588.639919 3.1815 BFGS: 1310 14:12:11 -1589.143799 3.0788 BFGS: 1311 14:12:11 -1589.653628 2.9833 BFGS: 1312 14:12:11 -1590.168328 2.8919 BFGS: 1313 14:12:11 -1590.689599 2.8044 BFGS: 1314 14:12:11 -1591.214902 2.7773 BFGS: 1315 14:12:11 -1591.734357 2.8925 BFGS: 1316 14:12:11 -1592.229341 3.0153 BFGS: 1317 14:12:11 -1592.692526 3.2036 BFGS: 1318 14:12:12 -1593.259395 3.2447 BFGS: 1319 14:12:12 -1593.855332 3.3608 BFGS: 1320 14:12:12 -1594.315944 3.4387 BFGS: 1321 14:12:12 -1594.759186 3.5026 BFGS: 1322 14:12:12 -1595.190159 3.5573 BFGS: 1323 14:12:12 -1595.610992 3.6062 BFGS: 1324 14:12:12 -1596.027377 3.6498 BFGS: 1325 14:12:12 -1596.433677 3.6866 BFGS: 1326 14:12:12 -1596.848105 3.7232 BFGS: 1327 14:12:13 -1597.250612 3.7494 BFGS: 1328 14:12:13 -1597.665007 3.7821 BFGS: 1329 14:12:13 -1598.074872 3.8010 BFGS: 1330 14:12:13 -1598.493009 3.8260 BFGS: 1331 14:12:13 -1598.915192 3.8372 BFGS: 1332 14:12:13 -1599.344656 3.8595 BFGS: 1333 14:12:13 -1599.781933 3.8704 BFGS: 1334 14:12:13 -1600.226708 3.9347 BFGS: 1335 14:12:13 -1600.681521 3.9979 BFGS: 1336 14:12:14 -1601.144363 4.0626 BFGS: 1337 14:12:14 -1601.618450 4.1274 BFGS: 1338 14:12:14 -1602.102941 4.1925 BFGS: 1339 14:12:14 -1602.597639 4.2590 BFGS: 1340 14:12:14 -1603.101447 4.3259 BFGS: 1341 14:12:14 -1603.616190 4.3955 BFGS: 1342 14:12:14 -1604.143150 4.4924 BFGS: 1343 14:12:14 -1604.679914 4.6688 BFGS: 1344 14:12:14 -1605.226510 4.8509 BFGS: 1345 14:12:15 -1605.783397 5.0410 BFGS: 1346 14:12:15 -1606.352230 5.2385 BFGS: 1347 14:12:15 -1606.934716 5.4425 BFGS: 1348 14:12:15 -1607.530699 5.6564 BFGS: 1349 14:12:15 -1608.137770 5.8774 BFGS: 1350 14:12:15 -1608.757506 6.1088 BFGS: 1351 14:12:15 -1609.390314 6.3494 BFGS: 1352 14:12:15 -1610.024690 6.5955 BFGS: 1353 14:12:15 -1610.655168 6.8431 BFGS: 1354 14:12:15 -1611.270148 7.0899 BFGS: 1355 14:12:16 -1611.885496 7.3425 BFGS: 1356 14:12:16 -1612.492684 7.5975 BFGS: 1357 14:12:16 -1613.100445 7.8584 BFGS: 1358 14:12:16 -1613.701332 8.1201 BFGS: 1359 14:12:16 -1614.301559 8.3853 BFGS: 1360 14:12:16 -1614.888570 8.6684 BFGS: 1361 14:12:16 -1615.510014 9.0986 BFGS: 1362 14:12:16 -1616.116017 9.5200 BFGS: 1363 14:12:16 -1616.719338 9.9495 BFGS: 1364 14:12:17 -1617.324358 10.3895 BFGS: 1365 14:12:17 -1617.931235 10.8397 BFGS: 1366 14:12:17 -1618.546673 11.3057 BFGS: 1367 14:12:17 -1619.176362 11.7875 BFGS: 1368 14:12:17 -1619.798030 12.2775 BFGS: 1369 14:12:17 -1620.392953 12.7482 BFGS: 1370 14:12:17 -1620.957759 13.2030 BFGS: 1371 14:12:17 -1621.493955 13.6321 BFGS: 1372 14:12:17 -1622.004435 14.0437 BFGS: 1373 14:12:18 -1622.492638 14.4332 BFGS: 1374 14:12:18 -1622.963584 14.8065 BFGS: 1375 14:12:18 -1623.419441 15.1640 BFGS: 1376 14:12:18 -1623.866434 15.5147 BFGS: 1377 14:12:18 -1624.303460 15.8430 BFGS: 1378 14:12:18 -1624.734553 16.1682 BFGS: 1379 14:12:18 -1625.155906 16.4759 BFGS: 1380 14:12:18 -1625.574472 16.7822 BFGS: 1381 14:12:18 -1625.982667 17.0714 BFGS: 1382 14:12:19 -1626.389619 17.3613 BFGS: 1383 14:12:19 -1626.783760 17.6292 BFGS: 1384 14:12:19 -1627.177874 17.9033 BFGS: 1385 14:12:19 -1627.559414 18.1563 BFGS: 1386 14:12:19 -1627.937320 18.4140 BFGS: 1387 14:12:19 -1628.309874 18.6615 BFGS: 1388 14:12:19 -1628.678497 18.9062 BFGS: 1389 14:12:19 -1629.039822 19.1449 BFGS: 1390 14:12:19 -1629.399089 19.3798 BFGS: 1391 14:12:19 -1629.754269 19.6097 BFGS: 1392 14:12:20 -1630.108176 19.8420 BFGS: 1393 14:12:20 -1630.472609 20.0939 BFGS: 1394 14:12:20 -1630.861277 20.3757 BFGS: 1395 14:12:20 -1631.304186 20.7132 BFGS: 1396 14:12:20 -1631.840429 21.1378 BFGS: 1397 14:12:20 -1632.542291 21.7015 BFGS: 1398 14:12:20 -1633.198652 22.2339 BFGS: 1399 14:12:20 -1633.767458 22.6979 BFGS: 1400 14:12:20 -1634.271345 23.1093 BFGS: 1401 14:12:21 -1634.728270 23.4777 BFGS: 1402 14:12:21 -1635.173699 23.8324 BFGS: 1403 14:12:21 -1635.777905 24.3491 BFGS: 1404 14:12:21 -1636.325856 24.8810 BFGS: 1405 14:12:21 -1636.789157 25.3344 BFGS: 1406 14:12:21 -1637.195009 25.6204 BFGS: 1407 14:12:21 -1637.608747 25.8609 BFGS: 1408 14:12:21 -1638.019382 26.0617 BFGS: 1409 14:12:21 -1638.451311 26.2484 BFGS: 1410 14:12:22 -1638.871812 26.4433 BFGS: 1411 14:12:22 -1639.290703 26.6304 BFGS: 1412 14:12:22 -1639.710601 26.8083 BFGS: 1413 14:12:22 -1640.114121 27.0169 BFGS: 1414 14:12:22 -1640.744123 26.9858 BFGS: 1415 14:12:22 -1641.323713 27.0460 BFGS: 1416 14:12:22 -1641.896216 27.0619 BFGS: 1417 14:12:22 -1642.418920 26.9853 BFGS: 1418 14:12:22 -1642.820577 26.8954 BFGS: 1419 14:12:23 -1643.143232 27.0211 BFGS: 1420 14:12:23 -1643.641889 27.1595 BFGS: 1421 14:12:23 -1644.135156 27.2686 BFGS: 1422 14:12:23 -1644.773356 27.4296 BFGS: 1423 14:12:23 -1645.607279 27.5279 BFGS: 1424 14:12:23 -1646.454760 27.2387 BFGS: 1425 14:12:23 -1647.247537 27.0034 BFGS: 1426 14:12:23 -1647.960669 26.7690 BFGS: 1427 14:12:23 -1648.683389 26.5413 BFGS: 1428 14:12:24 -1649.412142 26.3124 BFGS: 1429 14:12:24 -1650.160918 26.0671 BFGS: 1430 14:12:24 -1650.920326 25.8286 BFGS: 1431 14:12:24 -1651.707620 25.5747 BFGS: 1432 14:12:24 -1652.517198 25.3147 BFGS: 1433 14:12:24 -1653.325140 25.0552 BFGS: 1434 14:12:24 -1654.149152 24.7843 BFGS: 1435 14:12:24 -1654.984960 24.5114 BFGS: 1436 14:12:24 -1655.823050 24.2368 BFGS: 1437 14:12:25 -1656.657174 23.9663 BFGS: 1438 14:12:25 -1657.498890 23.6885 BFGS: 1439 14:12:25 -1658.349166 23.4158 BFGS: 1440 14:12:25 -1659.196236 23.1404 BFGS: 1441 14:12:25 -1660.041945 22.8743 BFGS: 1442 14:12:25 -1660.865144 22.6082 BFGS: 1443 14:12:25 -1661.684303 22.3912 BFGS: 1444 14:12:25 -1662.455252 22.3251 BFGS: 1445 14:12:25 -1663.233119 22.2858 BFGS: 1446 14:12:26 -1663.972966 22.6416 BFGS: 1447 14:12:26 -1664.729792 23.0156 BFGS: 1448 14:12:26 -1665.416141 23.3375 BFGS: 1449 14:12:26 -1666.145771 23.6605 BFGS: 1450 14:12:26 -1666.779874 23.9242 BFGS: 1451 14:12:26 -1667.518988 24.2051 BFGS: 1452 14:12:26 -1668.090176 24.4034 BFGS: 1453 14:12:26 -1668.791995 24.6132 BFGS: 1454 14:12:26 -1669.353894 24.7622 BFGS: 1455 14:12:27 -1669.978252 24.8950 BFGS: 1456 14:12:27 -1670.534701 24.9954 BFGS: 1457 14:12:27 -1671.121354 25.0713 BFGS: 1458 14:12:27 -1671.663455 25.1306 BFGS: 1459 14:12:27 -1672.227673 25.1667 BFGS: 1460 14:12:27 -1672.761984 25.1916 BFGS: 1461 14:12:27 -1673.310982 25.1941 BFGS: 1462 14:12:27 -1673.834985 25.1916 BFGS: 1463 14:12:27 -1674.373096 25.1684 BFGS: 1464 14:12:28 -1674.890871 25.1367 BFGS: 1465 14:12:28 -1675.417897 25.0904 BFGS: 1466 14:12:28 -1675.935679 25.0362 BFGS: 1467 14:12:28 -1676.461722 24.9735 BFGS: 1468 14:12:28 -1676.975690 24.9105 BFGS: 1469 14:12:28 -1677.499020 24.8271 BFGS: 1470 14:12:28 -1678.014547 24.7402 BFGS: 1471 14:12:28 -1678.538213 24.6491 BFGS: 1472 14:12:28 -1679.057449 24.5451 BFGS: 1473 14:12:29 -1679.574010 24.4404 BFGS: 1474 14:12:29 -1680.092957 24.3236 BFGS: 1475 14:12:29 -1680.617640 24.2085 BFGS: 1476 14:12:29 -1681.135835 24.0829 BFGS: 1477 14:12:29 -1681.666864 23.9548 BFGS: 1478 14:12:29 -1682.189251 23.8132 BFGS: 1479 14:12:29 -1682.726048 23.6723 BFGS: 1480 14:12:29 -1683.243061 23.5185 BFGS: 1481 14:12:29 -1683.800968 23.3581 BFGS: 1482 14:12:30 -1684.308077 23.1964 BFGS: 1483 14:12:30 -1684.864735 23.0155 BFGS: 1484 14:12:30 -1685.386657 22.8406 BFGS: 1485 14:12:30 -1685.934241 22.6392 BFGS: 1486 14:12:30 -1686.465916 22.4446 BFGS: 1487 14:12:30 -1687.017796 22.2178 BFGS: 1488 14:12:30 -1687.565237 22.0045 BFGS: 1489 14:12:30 -1688.127814 21.7397 BFGS: 1490 14:12:30 -1688.686205 21.5048 BFGS: 1491 14:12:31 -1689.260290 21.1983 BFGS: 1492 14:12:31 -1689.831610 20.9327 BFGS: 1493 14:12:31 -1690.420402 20.5747 BFGS: 1494 14:12:31 -1691.009689 20.2560 BFGS: 1495 14:12:31 -1691.618691 19.8456 BFGS: 1496 14:12:31 -1692.233116 19.4562 BFGS: 1497 14:12:31 -1692.866053 18.9712 BFGS: 1498 14:12:31 -1693.512665 18.4855 BFGS: 1499 14:12:32 -1694.173063 17.9024 BFGS: 1500 14:12:32 -1694.860205 17.2815 BFGS: 1501 14:12:32 -1695.556128 16.5692 BFGS: 1502 14:12:32 -1696.286583 15.7594 BFGS: 1503 14:12:32 -1697.025752 14.8493 BFGS: 1504 14:12:32 -1697.791320 13.7969 BFGS: 1505 14:12:32 -1698.577285 12.6084 BFGS: 1506 14:12:32 -1699.204915 11.5448 BFGS: 1507 14:12:32 -1699.797725 10.4923 BFGS: 1508 14:12:33 -1700.300602 9.5256 BFGS: 1509 14:12:33 -1700.784086 9.1238 BFGS: 1510 14:12:33 -1701.230997 8.7341 BFGS: 1511 14:12:33 -1701.665110 8.6672 BFGS: 1512 14:12:33 -1702.090903 8.4139 BFGS: 1513 14:12:33 -1702.504897 8.3281 BFGS: 1514 14:12:33 -1702.926081 8.1545 BFGS: 1515 14:12:33 -1703.340405 8.0456 BFGS: 1516 14:12:33 -1703.769276 7.8980 BFGS: 1517 14:12:34 -1704.192134 7.7522 BFGS: 1518 14:12:34 -1704.629337 7.6059 BFGS: 1519 14:12:34 -1705.057416 7.4397 BFGS: 1520 14:12:34 -1705.493025 7.2653 BFGS: 1521 14:12:34 -1705.911747 7.0718 BFGS: 1522 14:12:34 -1706.423805 6.8785 BFGS: 1523 14:12:34 -1706.933877 6.6960 BFGS: 1524 14:12:34 -1707.469155 6.5161 BFGS: 1525 14:12:34 -1708.036624 6.3164 BFGS: 1526 14:12:35 -1708.653993 6.1271 BFGS: 1527 14:12:35 -1709.324314 5.9430 BFGS: 1528 14:12:35 -1710.077894 5.8770 BFGS: 1529 14:12:35 -1710.902602 6.1295 BFGS: 1530 14:12:35 -1711.934073 6.6083 BFGS: 1531 14:12:35 -1712.931747 7.3387 BFGS: 1532 14:12:35 -1714.109475 8.0214 BFGS: 1533 14:12:35 -1715.493200 8.5740 BFGS: 1534 14:12:36 -1717.191529 9.5749 BFGS: 1535 14:12:36 -1719.161724 10.6381 BFGS: 1536 14:12:36 -1721.372888 11.6439 BFGS: 1537 14:12:36 -1723.856914 12.6145 BFGS: 1538 14:12:36 -1726.613019 13.5114 BFGS: 1539 14:12:36 -1729.677387 14.3983 BFGS: 1540 14:12:36 -1733.058956 15.2325 BFGS: 1541 14:12:36 -1736.761303 16.0798 BFGS: 1542 14:12:36 -1740.813749 16.8969 BFGS: 1543 14:12:37 -1745.182631 17.7368 BFGS: 1544 14:12:37 -1749.936832 18.5410 BFGS: 1545 14:12:37 -1754.940870 19.3546 BFGS: 1546 14:12:37 -1760.353659 20.0709 BFGS: 1547 14:12:37 -1765.892396 20.7670 BFGS: 1548 14:12:37 -1771.991454 21.2417 BFGS: 1549 14:12:37 -1773.954009 21.9489 BFGS: 1550 14:12:37 -1776.159230 22.6122 BFGS: 1551 14:12:38 -1778.095044 23.3457 BFGS: 1552 14:12:38 -1779.717248 23.9067 BFGS: 1553 14:12:38 -1780.820866 24.4428 BFGS: 1554 14:12:38 -1781.860598 24.7754 BFGS: 1555 14:12:38 -1782.824206 25.1040 BFGS: 1556 14:12:38 -1783.777110 25.4062 BFGS: 1557 14:12:38 -1784.703926 25.7076 BFGS: 1558 14:12:38 -1785.607636 26.0005 BFGS: 1559 14:12:38 -1786.502594 26.2883 BFGS: 1560 14:12:39 -1787.396231 26.5717 BFGS: 1561 14:12:39 -1788.306165 26.8348 BFGS: 1562 14:12:39 -1789.258339 27.0888 BFGS: 1563 14:12:39 -1790.267067 27.3190 BFGS: 1564 14:12:39 -1791.317315 27.5381 BFGS: 1565 14:12:39 -1792.423058 27.7270 BFGS: 1566 14:12:39 -1793.628620 27.8882 BFGS: 1567 14:12:39 -1794.978788 27.9858 BFGS: 1568 14:12:39 -1796.606197 27.9964 BFGS: 1569 14:12:40 -1798.718325 27.8339 BFGS: 1570 14:12:40 -1801.604561 27.4008 BFGS: 1571 14:12:40 -1804.055560 26.8426 BFGS: 1572 14:12:40 -1806.439907 26.1996 BFGS: 1573 14:12:40 -1808.430814 25.5525 BFGS: 1574 14:12:40 -1810.396563 24.8915 BFGS: 1575 14:12:40 -1812.031973 24.2467 BFGS: 1576 14:12:40 -1813.692399 23.6068 BFGS: 1577 14:12:40 -1815.064780 22.9786 BFGS: 1578 14:12:41 -1816.483329 22.3729 BFGS: 1579 14:12:41 -1817.673294 21.7689 BFGS: 1580 14:12:41 -1818.915158 21.2006 BFGS: 1581 14:12:41 -1819.974540 20.6249 BFGS: 1582 14:12:41 -1821.074061 20.0905 BFGS: 1583 14:12:41 -1822.043402 19.5382 BFGS: 1584 14:12:41 -1823.028142 19.0333 BFGS: 1585 14:12:41 -1823.924946 18.5091 BFGS: 1586 14:12:41 -1824.822899 18.0262 BFGS: 1587 14:12:42 -1825.664216 17.5238 BFGS: 1588 14:12:42 -1826.493744 17.0602 BFGS: 1589 14:12:42 -1827.284406 16.5764 BFGS: 1590 14:12:42 -1828.057435 16.1325 BFGS: 1591 14:12:42 -1828.803669 15.6697 BFGS: 1592 14:12:42 -1829.529816 15.2424 BFGS: 1593 14:12:42 -1830.245577 14.7917 BFGS: 1594 14:12:42 -1830.929485 14.3762 BFGS: 1595 14:12:42 -1831.613198 13.9407 BFGS: 1596 14:12:43 -1832.261145 13.5393 BFGS: 1597 14:12:43 -1832.919197 13.1197 BFGS: 1598 14:12:43 -1833.530229 12.7227 BFGS: 1599 14:12:43 -1834.158154 12.3216 BFGS: 1600 14:12:43 -1834.742840 11.9304 BFGS: 1601 14:12:43 -1835.341098 11.5429 BFGS: 1602 14:12:43 -1835.900034 11.1605 BFGS: 1603 14:12:43 -1836.467561 10.7875 BFGS: 1604 14:12:43 -1837.000731 10.4140 BFGS: 1605 14:12:44 -1837.538565 10.0525 BFGS: 1606 14:12:44 -1838.045825 9.6877 BFGS: 1607 14:12:44 -1838.553848 9.3391 BFGS: 1608 14:12:44 -1839.030833 8.9855 BFGS: 1609 14:12:44 -1839.509866 8.6510 BFGS: 1610 14:12:44 -1839.958819 8.3046 BFGS: 1611 14:12:44 -1840.405296 7.9817 BFGS: 1612 14:12:44 -1840.824937 7.6433 BFGS: 1613 14:12:44 -1841.239790 7.3279 BFGS: 1614 14:12:45 -1841.627762 6.9982 BFGS: 1615 14:12:45 -1842.010478 6.6888 BFGS: 1616 14:12:45 -1842.367867 6.3654 BFGS: 1617 14:12:45 -1842.719942 6.0640 BFGS: 1618 14:12:45 -1843.049318 5.7372 BFGS: 1619 14:12:45 -1843.374830 5.7190 BFGS: 1620 14:12:45 -1843.682652 5.7221 BFGS: 1621 14:12:45 -1843.992464 5.7832 BFGS: 1622 14:12:45 -1844.299543 5.7964 BFGS: 1623 14:12:46 -1844.588294 5.8755 BFGS: 1624 14:12:46 -1844.859930 5.8935 BFGS: 1625 14:12:46 -1845.138365 5.9578 BFGS: 1626 14:12:46 -1845.426542 5.9719 BFGS: 1627 14:12:46 -1845.743516 5.9996 BFGS: 1628 14:12:46 -1846.081380 6.0131 BFGS: 1629 14:12:46 -1846.461935 5.9961 BFGS: 1630 14:12:46 -1846.865289 6.0158 BFGS: 1631 14:12:46 -1847.318132 5.9521 BFGS: 1632 14:12:47 -1847.787953 5.9736 BFGS: 1633 14:12:47 -1848.267269 5.8805 BFGS: 1634 14:12:47 -1848.664993 5.8917 BFGS: 1635 14:12:47 -1849.060464 5.8114 BFGS: 1636 14:12:47 -1849.408142 5.8129 BFGS: 1637 14:12:47 -1849.744789 5.7535 BFGS: 1638 14:12:47 -1850.054124 5.7482 BFGS: 1639 14:12:47 -1850.349752 5.7909 BFGS: 1640 14:12:47 -1850.628876 5.8661 BFGS: 1641 14:12:48 -1850.892520 5.9042 BFGS: 1642 14:12:48 -1851.147130 5.9804 BFGS: 1643 14:12:48 -1851.387668 6.0144 BFGS: 1644 14:12:48 -1851.624898 6.0811 BFGS: 1645 14:12:48 -1851.850221 6.1064 BFGS: 1646 14:12:48 -1852.073418 6.1634 BFGS: 1647 14:12:48 -1852.287609 6.1799 BFGS: 1648 14:12:48 -1852.500664 6.2216 BFGS: 1649 14:12:48 -1852.707511 6.2343 BFGS: 1650 14:12:49 -1852.914025 6.2647 BFGS: 1651 14:12:49 -1853.117487 6.2706 BFGS: 1652 14:12:49 -1853.320438 6.2900 BFGS: 1653 14:12:49 -1853.523397 6.2877 BFGS: 1654 14:12:49 -1853.727587 6.2937 BFGS: 1655 14:12:49 -1853.932263 6.2830 BFGS: 1656 14:12:49 -1854.137510 6.2773 BFGS: 1657 14:12:49 -1854.344795 6.2602 BFGS: 1658 14:12:50 -1854.553875 6.2422 BFGS: 1659 14:12:50 -1854.765729 6.2184 BFGS: 1660 14:12:50 -1854.979495 6.1940 BFGS: 1661 14:12:50 -1855.196605 6.2480 BFGS: 1662 14:12:50 -1855.416738 6.3005 BFGS: 1663 14:12:50 -1855.641661 6.3442 BFGS: 1664 14:12:50 -1855.869812 6.3855 BFGS: 1665 14:12:50 -1856.102296 6.4185 BFGS: 1666 14:12:51 -1856.338563 6.4522 BFGS: 1667 14:12:51 -1856.578987 6.4808 BFGS: 1668 14:12:51 -1856.823966 6.5058 BFGS: 1669 14:12:51 -1857.072092 6.5286 BFGS: 1670 14:12:51 -1857.325495 6.5457 BFGS: 1671 14:12:51 -1857.582002 6.5955 BFGS: 1672 14:12:51 -1857.841714 6.7171 BFGS: 1673 14:12:51 -1858.106544 6.8298 BFGS: 1674 14:12:51 -1858.376360 6.9420 BFGS: 1675 14:12:52 -1858.650820 7.0486 BFGS: 1676 14:12:52 -1858.930803 7.1559 BFGS: 1677 14:12:52 -1859.214615 7.3300 BFGS: 1678 14:12:52 -1859.504504 7.4956 BFGS: 1679 14:12:52 -1859.798562 7.6705 BFGS: 1680 14:12:52 -1860.099512 7.8348 BFGS: 1681 14:12:52 -1860.405812 8.0094 BFGS: 1682 14:12:52 -1860.719752 8.1716 BFGS: 1683 14:12:53 -1861.039652 8.3464 BFGS: 1684 14:12:53 -1861.368259 8.5080 BFGS: 1685 14:12:53 -1861.700806 8.6850 BFGS: 1686 14:12:53 -1862.044904 8.8389 BFGS: 1687 14:12:53 -1862.396465 9.0158 BFGS: 1688 14:12:53 -1862.760476 9.1631 BFGS: 1689 14:12:53 -1863.131295 9.3382 BFGS: 1690 14:12:53 -1863.513904 9.4781 BFGS: 1691 14:12:53 -1863.906652 9.6391 BFGS: 1692 14:12:54 -1864.311857 9.7632 BFGS: 1693 14:12:54 -1864.726240 9.9093 BFGS: 1694 14:12:54 -1865.154284 10.0043 BFGS: 1695 14:12:54 -1865.589242 10.1335 BFGS: 1696 14:12:54 -1866.039838 10.1861 BFGS: 1697 14:12:54 -1866.497700 10.4253 BFGS: 1698 14:12:54 -1866.972534 10.7102 BFGS: 1699 14:12:54 -1867.451083 10.9749 BFGS: 1700 14:12:55 -1867.955424 11.2719 BFGS: 1701 14:12:55 -1868.460822 11.5312 BFGS: 1702 14:12:55 -1869.010302 11.8547 BFGS: 1703 14:12:55 -1869.551299 12.1108 BFGS: 1704 14:12:55 -1870.178233 12.4858 BFGS: 1705 14:12:55 -1870.782186 12.7384 BFGS: 1706 14:12:55 -1871.505483 13.1768 BFGS: 1707 14:12:55 -1872.228236 13.4317 BFGS: 1708 14:12:55 -1873.073641 13.8412 BFGS: 1709 14:12:56 -1873.898052 13.8465 BFGS: 1710 14:12:56 -1874.353042 13.6463 BFGS: 1711 14:12:56 -1874.752827 13.3978 BFGS: 1712 14:12:56 -1875.121724 13.1585 BFGS: 1713 14:12:56 -1875.476227 12.9608 BFGS: 1714 14:12:56 -1875.816254 12.7876 BFGS: 1715 14:12:56 -1876.146669 12.6601 BFGS: 1716 14:12:56 -1876.463374 12.5509 BFGS: 1717 14:12:57 -1876.773134 12.4757 BFGS: 1718 14:12:57 -1877.070129 12.4105 BFGS: 1719 14:12:57 -1877.359706 12.3695 BFGS: 1720 14:12:57 -1877.637245 12.3384 BFGS: 1721 14:12:57 -1877.908646 12.3155 BFGS: 1722 14:12:57 -1878.169423 12.2985 BFGS: 1723 14:12:57 -1878.423288 12.2871 BFGS: 1724 14:12:57 -1878.668374 12.2747 BFGS: 1725 14:12:57 -1878.906335 12.2712 BFGS: 1726 14:12:58 -1879.136460 12.2635 BFGS: 1727 14:12:58 -1879.359292 12.2604 BFGS: 1728 14:12:58 -1879.575362 12.2506 BFGS: 1729 14:12:58 -1879.784479 12.2463 BFGS: 1730 14:12:58 -1879.987033 12.2344 BFGS: 1731 14:12:58 -1880.182856 12.2261 BFGS: 1732 14:12:58 -1880.372463 12.2097 BFGS: 1733 14:12:58 -1880.555268 12.1962 BFGS: 1734 14:12:58 -1880.732338 12.1760 BFGS: 1735 14:12:59 -1880.903495 12.1550 BFGS: 1736 14:12:59 -1881.068202 12.1306 BFGS: 1737 14:12:59 -1881.227761 12.1030 BFGS: 1738 14:12:59 -1881.381655 12.0706 BFGS: 1739 14:12:59 -1881.530366 12.0339 BFGS: 1740 14:12:59 -1881.673795 11.9930 BFGS: 1741 14:12:59 -1881.812317 11.9464 BFGS: 1742 14:12:59 -1881.946356 11.8947 BFGS: 1743 14:13:00 -1882.075107 11.8369 BFGS: 1744 14:13:00 -1882.200666 11.7707 BFGS: 1745 14:13:00 -1882.322127 11.7008 BFGS: 1746 14:13:00 -1882.440714 11.6202 BFGS: 1747 14:13:00 -1882.556371 11.5330 BFGS: 1748 14:13:00 -1882.670114 11.4281 BFGS: 1749 14:13:00 -1882.782032 11.3224 BFGS: 1750 14:13:00 -1882.893446 11.1998 BFGS: 1751 14:13:01 -1883.004838 11.0655 BFGS: 1752 14:13:01 -1883.117633 10.9141 BFGS: 1753 14:13:01 -1883.232125 10.7470 BFGS: 1754 14:13:01 -1883.349805 10.5603 BFGS: 1755 14:13:01 -1883.473014 10.3462 BFGS: 1756 14:13:01 -1883.601743 10.1197 BFGS: 1757 14:13:01 -1883.740321 9.8574 BFGS: 1758 14:13:01 -1883.889838 9.5661 BFGS: 1759 14:13:01 -1884.054472 9.2335 BFGS: 1760 14:13:02 -1884.236883 8.8589 BFGS: 1761 14:13:02 -1884.442129 8.4349 BFGS: 1762 14:13:02 -1884.676029 7.9478 BFGS: 1763 14:13:02 -1884.947082 7.3836 BFGS: 1764 14:13:02 -1885.267608 6.7194 BFGS: 1765 14:13:02 -1885.652106 5.9180 BFGS: 1766 14:13:02 -1886.134317 4.8982 BFGS: 1767 14:13:02 -1886.765265 3.5288 BFGS: 1768 14:13:03 -1887.426899 2.9109 BFGS: 1769 14:13:03 -1888.073884 2.6731 BFGS: 1770 14:13:03 -1888.511121 2.6627 BFGS: 1771 14:13:03 -1888.887141 2.6761 BFGS: 1772 14:13:03 -1889.211620 2.6234 BFGS: 1773 14:13:03 -1889.500421 2.6088 BFGS: 1774 14:13:03 -1889.767311 2.7088 BFGS: 1775 14:13:03 -1890.018913 2.7757 BFGS: 1776 14:13:03 -1890.255715 2.7985 BFGS: 1777 14:13:04 -1890.457224 2.7871 BFGS: 1778 14:13:04 -1890.640261 2.7340 BFGS: 1779 14:13:04 -1890.821650 2.6487 BFGS: 1780 14:13:04 -1890.993919 2.5537 BFGS: 1781 14:13:04 -1891.154982 2.4540 BFGS: 1782 14:13:04 -1891.308926 2.3561 BFGS: 1783 14:13:04 -1891.457884 2.2599 BFGS: 1784 14:13:04 -1891.603630 2.1677 BFGS: 1785 14:13:05 -1891.746304 2.0783 BFGS: 1786 14:13:05 -1891.886121 1.9958 BFGS: 1787 14:13:05 -1892.023468 1.9205 BFGS: 1788 14:13:05 -1892.158538 1.8456 BFGS: 1789 14:13:05 -1892.291166 1.8485 BFGS: 1790 14:13:05 -1892.422235 1.9220 BFGS: 1791 14:13:05 -1892.551124 1.9881 BFGS: 1792 14:13:05 -1892.678059 2.0429 BFGS: 1793 14:13:06 -1892.803101 2.1646 BFGS: 1794 14:13:06 -1892.926434 2.2954 BFGS: 1795 14:13:06 -1893.048504 2.4255 BFGS: 1796 14:13:06 -1893.168932 2.5511 BFGS: 1797 14:13:06 -1893.287835 2.6695 BFGS: 1798 14:13:06 -1893.405021 2.7885 BFGS: 1799 14:13:06 -1893.521106 2.8925 BFGS: 1800 14:13:06 -1893.634188 3.0024 BFGS: 1801 14:13:07 -1893.746520 3.0911 BFGS: 1802 14:13:07 -1893.856056 3.1909 BFGS: 1803 14:13:07 -1893.964562 3.2559 BFGS: 1804 14:13:07 -1894.069569 3.3410 BFGS: 1805 14:13:07 -1894.174163 3.3700 BFGS: 1806 14:13:07 -1894.275766 3.4351 BFGS: 1807 14:13:07 -1894.378018 3.4244 BFGS: 1808 14:13:07 -1894.473285 3.4601 BFGS: 1809 14:13:07 -1894.565203 3.4245 BFGS: 1810 14:13:08 -1894.652427 3.3661 BFGS: 1811 14:13:08 -1894.743896 3.3431 BFGS: 1812 14:13:08 -1894.833247 3.1745 BFGS: 1813 14:13:08 -1894.935752 3.1561 BFGS: 1814 14:13:08 -1895.043628 2.8959 BFGS: 1815 14:13:08 -1895.189135 2.8183 BFGS: 1816 14:13:08 -1895.322561 2.6384 BFGS: 1817 14:13:08 -1895.429468 2.5938 BFGS: 1818 14:13:09 -1895.523744 2.5929 BFGS: 1819 14:13:09 -1895.613941 2.6233 BFGS: 1820 14:13:09 -1895.698542 2.7079 BFGS: 1821 14:13:09 -1895.771339 2.8170 BFGS: 1822 14:13:09 -1895.837289 2.9547 BFGS: 1823 14:13:09 -1895.899208 3.1100 BFGS: 1824 14:13:09 -1895.958785 3.2739 BFGS: 1825 14:13:09 -1896.017237 3.4308 BFGS: 1826 14:13:09 -1896.075935 3.5700 BFGS: 1827 14:13:10 -1896.135387 3.6536 BFGS: 1828 14:13:10 -1896.190666 3.6304 BFGS: 1829 14:13:10 -1896.231418 3.4248 BFGS: 1830 14:13:10 -1896.262388 3.1700 BFGS: 1831 14:13:10 -1896.281428 2.9117 BFGS: 1832 14:13:10 -1896.293952 2.8297 BFGS: 1833 14:13:10 -1896.310056 2.7152 BFGS: 1834 14:13:10 -1896.321421 2.6973 BFGS: 1835 14:13:10 -1896.339626 2.6635 BFGS: 1836 14:13:11 -1896.351713 2.6737 BFGS: 1837 14:13:11 -1896.375810 2.6676 BFGS: 1838 14:13:11 -1896.397624 2.6359 BFGS: 1839 14:13:11 -1896.439589 2.5796 BFGS: 1840 14:13:11 -1896.493622 2.6460 BFGS: 1841 14:13:11 -1896.563711 2.6369 BFGS: 1842 14:13:11 -1896.658484 2.5340 BFGS: 1843 14:13:11 -1896.777508 2.1820 BFGS: 1844 14:13:11 -1896.862815 1.6750 BFGS: 1845 14:13:12 -1896.915205 1.0510 BFGS: 1846 14:13:12 -1896.943908 0.7497 BFGS: 1847 14:13:12 -1896.970901 0.7168 BFGS: 1848 14:13:12 -1896.992235 0.7154 BFGS: 1849 14:13:12 -1897.009820 0.4603 BFGS: 1850 14:13:12 -1897.018943 0.2857 BFGS: 1851 14:13:12 -1897.022690 0.1230 BFGS: 1852 14:13:12 -1897.024094 0.0846 BFGS: 1853 14:13:13 -1897.024674 0.0818 BFGS: 1854 14:13:13 -1897.024989 0.0820 BFGS: 1855 14:13:13 -1897.025198 0.0866 BFGS: 1856 14:13:13 -1897.025400 0.0926 BFGS: 1857 14:13:13 -1897.025574 0.0993 BFGS: 1858 14:13:13 -1897.025748 0.1081 BFGS: 1859 14:13:13 -1897.025844 0.1111 BFGS: 1860 14:13:13 -1897.025909 0.1149 BFGS: 1861 14:13:13 -1897.025941 0.1156 BFGS: 1862 14:13:14 -1897.025970 0.1180 BFGS: 1863 14:13:14 -1897.025984 0.1174 BFGS: 1864 14:13:14 -1897.025999 0.1154 BFGS: 1865 14:13:14 -1897.026007 0.1131 BFGS: 1866 14:13:14 -1897.026014 0.1108 BFGS: 1867 14:13:14 -1897.026017 0.1092 BFGS: 1868 14:13:14 -1897.026019 0.1090 BFGS: 1869 14:13:14 -1897.026020 0.1089 BFGS: 1870 14:13:14 -1897.026021 0.1093 BFGS: 1871 14:13:15 -1897.026021 0.1100 BFGS: 1872 14:13:15 -1897.026021 0.1101 BFGS: 1873 14:13:15 -1897.026021 0.1101 BFGS: 1874 14:13:15 -1897.026021 0.1101 BFGS: 1875 14:13:15 -1897.026021 0.1101 BFGS: 1876 14:13:15 -1897.026021 0.1101 BFGS: 1877 14:13:15 -1897.026021 0.1101 BFGS: 1878 14:13:15 -1897.026021 0.1100 BFGS: 1879 14:13:15 -1897.026021 0.1100 BFGS: 1880 14:13:16 -1897.026022 0.1099 BFGS: 1881 14:13:16 -1897.026023 0.1096 BFGS: 1882 14:13:16 -1897.026025 0.1092 BFGS: 1883 14:13:16 -1897.026032 0.1082 BFGS: 1884 14:13:16 -1897.026048 0.1055 BFGS: 1885 14:13:16 -1897.026074 0.1038 BFGS: 1886 14:13:16 -1897.026333 0.0840 BFGS: 1887 14:13:16 -1897.026616 0.0601 BFGS: 1888 14:13:16 -1897.026949 0.0438 BFGS: 1889 14:13:17 -1897.027077 0.0207 BFGS: 1890 14:13:17 -1897.027098 0.0034 BFGS: 1891 14:13:17 -1897.027099 0.0004 BFGS: 1892 14:13:17 -1897.027099 0.0001 BFGS: 1893 14:13:17 -1897.027099 0.0001 BFGS: 1894 14:13:17 -1897.027099 0.0000 BFGS: 1895 14:13:17 -1897.027099 0.0000 BFGS: 1896 14:13:17 -1897.027099 0.0000 BFGS: 1897 14:13:17 -1897.027099 0.0000 BFGS: 1898 14:13:18 -1897.027099 0.0000 BFGS: 1899 14:13:18 -1897.027099 0.0000 BFGS: 1900 14:13:18 -1897.027099 0.0000 Minimization converged after 1900 steps. Maximum force component: 8.949940703982986e-09 eV/Angstrom Maximum stress component: 2.8826348449379236e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'Cl', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', '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', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[7.11323836e-01 5.00821486e-01 9.60510054e-01] [2.88676164e-01 5.00821486e-01 5.39489946e-01] [2.11323836e-01 8.21486053e-04 9.60510054e-01] [7.88676164e-01 8.21486053e-04 5.39489946e-01] [2.88676164e-01 4.99178514e-01 3.94899457e-02] [7.11323836e-01 4.99178514e-01 4.60510054e-01] [7.88676164e-01 9.99178514e-01 3.94899457e-02] [2.11323836e-01 9.99178514e-01 4.60510054e-01] [2.59988490e-01 2.79825984e-01 7.43596686e-01] [7.40011510e-01 2.79825984e-01 7.56403314e-01] [7.59988490e-01 7.79825984e-01 7.43596686e-01] [2.40011510e-01 7.79825984e-01 7.56403314e-01] [7.40011510e-01 7.20174016e-01 2.56403314e-01] [2.59988490e-01 7.20174016e-01 2.43596686e-01] [2.40011510e-01 2.20174016e-01 2.56403314e-01] [7.59988490e-01 2.20174016e-01 2.43596686e-01] [2.79547578e-01 3.76905324e-01 6.97550054e-01] [7.20452422e-01 3.76905324e-01 8.02449946e-01] [7.79547578e-01 8.76905324e-01 6.97550054e-01] [2.20452422e-01 8.76905324e-01 8.02449946e-01] [7.20452422e-01 6.23094676e-01 3.02449946e-01] [2.79547578e-01 6.23094676e-01 1.97550054e-01] [2.20452422e-01 1.23094676e-01 3.02449946e-01] [7.79547578e-01 1.23094676e-01 1.97550054e-01] [0.00000000e+00 1.59566386e-16 3.53142124e-31] [1.00000000e+00 9.71334886e-33 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [1.00000000e+00 5.04373925e-01 2.50000000e-01] [5.00000000e-01 4.37392498e-03 2.50000000e-01] [1.00000000e+00 4.95626075e-01 7.50000000e-01] [5.00000000e-01 9.95626075e-01 7.50000000e-01] [8.16329511e-01 3.32513953e-01 9.12165495e-01] [1.83670489e-01 3.32513953e-01 5.87834505e-01] [3.16329511e-01 8.32513953e-01 9.12165495e-01] [6.83670489e-01 8.32513953e-01 5.87834505e-01] [1.83670489e-01 6.67486047e-01 8.78345049e-02] [8.16329511e-01 6.67486047e-01 4.12165495e-01] [6.83670489e-01 1.67486047e-01 8.78345049e-02] [3.16329511e-01 1.67486047e-01 4.12165495e-01] [6.86279957e-01 1.85437544e-01 6.02267560e-01] [3.13720043e-01 1.85437544e-01 8.97732440e-01] [1.86279957e-01 6.85437544e-01 6.02267560e-01] [8.13720043e-01 6.85437544e-01 8.97732440e-01] [3.13720043e-01 8.14562456e-01 3.97732440e-01] [6.86279957e-01 8.14562456e-01 1.02267560e-01] [8.13720043e-01 3.14562456e-01 3.97732440e-01] [1.86279957e-01 3.14562456e-01 1.02267560e-01] [8.10633835e-01 3.08698565e-01 7.29989765e-01] [1.89366165e-01 3.08698565e-01 7.70010235e-01] [3.10633835e-01 8.08698565e-01 7.29989765e-01] [6.89366165e-01 8.08698565e-01 7.70010235e-01] [1.89366165e-01 6.91301435e-01 2.70010235e-01] [8.10633835e-01 6.91301435e-01 2.29989765e-01] [6.89366165e-01 1.91301435e-01 2.70010235e-01] [3.10633835e-01 1.91301435e-01 2.29989765e-01] [7.19600037e-01 5.27462922e-01 7.00646198e-01] [2.80399963e-01 5.27462922e-01 7.99353802e-01] [2.19600037e-01 2.74629222e-02 7.00646198e-01] [7.80399963e-01 2.74629222e-02 7.99353802e-01] [2.80399963e-01 4.72537078e-01 2.99353802e-01] [7.19600037e-01 4.72537078e-01 2.00646198e-01] [7.80399963e-01 9.72537078e-01 2.99353802e-01] [2.19600037e-01 9.72537078e-01 2.00646198e-01] [1.75483893e-01 6.57657433e-01 7.70081094e-01] [8.24516107e-01 6.57657433e-01 7.29918906e-01] [6.75483893e-01 1.57657433e-01 7.70081094e-01] [3.24516107e-01 1.57657433e-01 7.29918906e-01] [8.24516107e-01 3.42342567e-01 2.29918906e-01] [1.75483893e-01 3.42342567e-01 2.70081094e-01] [3.24516107e-01 8.42342567e-01 2.29918906e-01] [6.75483893e-01 8.42342567e-01 2.70081094e-01]] cellpar = Cell([[11.58475524795754, -4.9442881594233114e-17, 3.9773112460399416], [-2.916597838525276e-17, 3.727600385411938, 2.8231767653871425e-18], [-6.164810235772333, 3.6154356272007633e-17, 3.9567160993483466]]) forces = [[-1.08082177e-09 1.64269949e-09 -1.03531196e-09] [ 1.08082177e-09 1.64269949e-09 1.03531196e-09] [-1.08082177e-09 1.64269949e-09 -1.03531196e-09] [ 1.08082177e-09 1.64269949e-09 1.03531196e-09] [ 1.08082177e-09 -1.64269949e-09 1.03531196e-09] [-1.08082177e-09 -1.64269949e-09 -1.03531196e-09] [ 1.08082177e-09 -1.64269949e-09 1.03531196e-09] [-1.08082177e-09 -1.64269949e-09 -1.03531196e-09] [-3.15312128e-09 -1.00901971e-09 3.39386358e-10] [ 3.15312128e-09 -1.00901971e-09 -3.39386358e-10] [-3.15312128e-09 -1.00901971e-09 3.39386358e-10] [ 3.15312128e-09 -1.00901971e-09 -3.39386358e-10] [ 3.15312128e-09 1.00901971e-09 -3.39386358e-10] [-3.15312128e-09 1.00901971e-09 3.39386358e-10] [ 3.15312128e-09 1.00901971e-09 -3.39386358e-10] [-3.15312128e-09 1.00901971e-09 3.39386358e-10] [ 2.89108290e-09 -2.78560254e-09 3.91567153e-09] [-2.89108290e-09 -2.78560254e-09 -3.91567153e-09] [ 2.89108290e-09 -2.78560254e-09 3.91567153e-09] [-2.89108290e-09 -2.78560254e-09 -3.91567153e-09] [-2.89108290e-09 2.78560254e-09 -3.91567153e-09] [ 2.89108290e-09 2.78560254e-09 3.91567153e-09] [-2.89108290e-09 2.78560254e-09 -3.91567153e-09] [ 2.89108290e-09 2.78560254e-09 3.91567153e-09] [ 4.06806223e-28 -1.86046016e-45 6.30108543e-29] [ 3.60849660e-28 -1.41583857e-45 2.00542955e-28] [-2.19330252e-28 9.36085352e-46 -7.53010884e-29] [ 7.78108445e-29 -4.56332131e-46 -4.99407783e-29] [-2.36816882e-27 3.00181086e-10 2.39833671e-28] [-2.38644634e-27 3.00181086e-10 2.33558580e-28] [ 2.34871611e-27 -3.00181086e-10 -2.27348476e-28] [ 2.34871611e-27 -3.00181086e-10 -2.27348476e-28] [ 7.42459751e-09 8.13930171e-09 3.73096813e-09] [-7.42459751e-09 8.13930171e-09 -3.73096813e-09] [ 7.42459751e-09 8.13930171e-09 3.73096813e-09] [-7.42459751e-09 8.13930171e-09 -3.73096813e-09] [-7.42459751e-09 -8.13930171e-09 -3.73096813e-09] [ 7.42459751e-09 -8.13930171e-09 3.73096813e-09] [-7.42459751e-09 -8.13930171e-09 -3.73096813e-09] [ 7.42459751e-09 -8.13930171e-09 3.73096813e-09] [-9.26378666e-10 -8.94994070e-09 2.66901917e-09] [ 9.26378666e-10 -8.94994070e-09 -2.66901917e-09] [-9.26378666e-10 -8.94994070e-09 2.66901917e-09] [ 9.26378666e-10 -8.94994070e-09 -2.66901917e-09] [ 9.26378666e-10 8.94994070e-09 -2.66901917e-09] [-9.26378666e-10 8.94994070e-09 2.66901917e-09] [ 9.26378666e-10 8.94994070e-09 -2.66901917e-09] [-9.26378666e-10 8.94994070e-09 2.66901917e-09] [-1.72718013e-09 1.27022424e-10 1.88906404e-09] [ 1.72718013e-09 1.27022424e-10 -1.88906404e-09] [-1.72718013e-09 1.27022424e-10 1.88906404e-09] [ 1.72718013e-09 1.27022424e-10 -1.88906404e-09] [ 1.72718013e-09 -1.27022424e-10 -1.88906404e-09] [-1.72718013e-09 -1.27022424e-10 1.88906404e-09] [ 1.72718013e-09 -1.27022424e-10 -1.88906404e-09] [-1.72718013e-09 -1.27022424e-10 1.88906404e-09] [ 5.11554813e-09 1.51757142e-09 2.10058682e-09] [-5.11554813e-09 1.51757142e-09 -2.10058682e-09] [ 5.11554813e-09 1.51757142e-09 2.10058682e-09] [-5.11554813e-09 1.51757142e-09 -2.10058682e-09] [-5.11554813e-09 -1.51757142e-09 -2.10058682e-09] [ 5.11554813e-09 -1.51757142e-09 2.10058682e-09] [-5.11554813e-09 -1.51757142e-09 -2.10058682e-09] [ 5.11554813e-09 -1.51757142e-09 2.10058682e-09] [-1.49947846e-09 1.71750044e-09 -2.73279456e-09] [ 1.49947846e-09 1.71750044e-09 2.73279456e-09] [-1.49947846e-09 1.71750044e-09 -2.73279456e-09] [ 1.49947846e-09 1.71750044e-09 2.73279456e-09] [ 1.49947846e-09 -1.71750044e-09 2.73279456e-09] [-1.49947846e-09 -1.71750044e-09 -2.73279456e-09] [ 1.49947846e-09 -1.71750044e-09 2.73279456e-09] [-1.49947846e-09 -1.71750044e-09 -2.73279456e-09]] stress = [-1.84715990e-10 -2.45796274e-10 -2.88263484e-10 1.56634136e-27 2.53757656e-10 -8.49643342e-28] energy per atom = -26.347598592635393 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0