element(s): ['C'] AFLOW prototype label: A_hR14_166_7c Parameter names: ['a', 'c/a', 'x1', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5219588', '17.242372', '0.017784926', '0.172604', '0.20814845', '0.26813059', '0.30367798', '0.41047725', '0.44657679'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0. 0.51778493] [0. 0. 0.672604 ] [0. 0. 0.70814845] [0. 0. 0.76813059] [0. 0. 0.80367798] [0. 0. 0.91047725] [0. 0. 0.94657679]] spacegroup = 166 cell = [[2.522, 0, 0], [-1.261, 2.1841160683444, 0], [0, 0, 43.4846]] ========================================= Step Time Energy fmax BFGS: 0 15:56:14 5551.598864 208.632127 BFGS: 1 15:56:15 5520.174311 206.635477 BFGS: 2 15:56:15 5490.929460 205.699007 BFGS: 3 15:56:15 5460.493246 204.147724 BFGS: 4 15:56:15 5430.372035 202.317725 BFGS: 5 15:56:15 5400.495509 200.948150 BFGS: 6 15:56:15 5371.027918 199.257401 BFGS: 7 15:56:16 5341.739637 197.484171 BFGS: 8 15:56:16 5312.696760 196.153206 BFGS: 9 15:56:16 5283.826384 195.596960 BFGS: 10 15:56:17 5255.059531 194.012944 BFGS: 11 15:56:17 5226.499186 192.612655 BFGS: 12 15:56:17 5198.143993 191.206901 BFGS: 13 15:56:18 5169.990716 189.814122 BFGS: 14 15:56:19 5142.037110 188.432691 BFGS: 15 15:56:19 5114.280921 187.062557 BFGS: 16 15:56:20 5086.719903 185.703561 BFGS: 17 15:56:20 5059.351815 184.355552 BFGS: 18 15:56:21 5032.174422 183.018379 BFGS: 19 15:56:21 5005.185420 181.695037 BFGS: 20 15:56:21 4978.402018 180.384853 BFGS: 21 15:56:22 4951.828295 179.086709 BFGS: 22 15:56:23 4925.463245 177.803430 BFGS: 23 15:56:24 4899.306013 176.532406 BFGS: 24 15:56:25 4873.350872 175.274148 BFGS: 25 15:56:25 4847.596531 174.027527 BFGS: 26 15:56:25 4822.041636 172.793410 BFGS: 27 15:56:25 4796.684779 171.571232 BFGS: 28 15:56:25 4771.525047 170.360077 BFGS: 29 15:56:26 4746.561708 169.159869 BFGS: 30 15:56:26 4721.793888 167.970527 BFGS: 31 15:56:26 4697.220700 166.791975 BFGS: 32 15:56:26 4672.841273 165.624137 BFGS: 33 15:56:26 4648.654750 164.466941 BFGS: 34 15:56:26 4624.660285 163.320314 BFGS: 35 15:56:27 4600.857048 162.184185 BFGS: 36 15:56:27 4577.244218 161.058483 BFGS: 37 15:56:27 4553.820986 159.943139 BFGS: 38 15:56:27 4530.586551 158.838084 BFGS: 39 15:56:27 4507.540006 157.745931 BFGS: 40 15:56:27 4484.689885 156.666230 BFGS: 41 15:56:28 4462.039367 155.597729 BFGS: 42 15:56:28 4439.588008 154.540053 BFGS: 43 15:56:28 4417.335402 153.493103 BFGS: 44 15:56:28 4395.281151 152.456823 BFGS: 45 15:56:28 4373.424850 151.431162 BFGS: 46 15:56:28 4351.766085 150.416069 BFGS: 47 15:56:28 4330.304425 149.411494 BFGS: 48 15:56:28 4309.039421 148.417387 BFGS: 49 15:56:28 4287.970606 147.433693 BFGS: 50 15:56:28 4267.097488 146.460361 BFGS: 51 15:56:28 4246.419553 145.497335 BFGS: 52 15:56:29 4225.936258 144.544560 BFGS: 53 15:56:29 4205.647032 143.601979 BFGS: 54 15:56:29 4185.551273 142.669533 BFGS: 55 15:56:29 4165.648342 141.747841 BFGS: 56 15:56:29 4145.940708 140.839409 BFGS: 57 15:56:29 4126.441615 139.942762 BFGS: 58 15:56:29 4107.152521 139.057240 BFGS: 59 15:56:29 4088.072924 138.184073 BFGS: 60 15:56:29 4069.204478 137.327209 BFGS: 61 15:56:29 4050.559380 136.485875 BFGS: 62 15:56:29 4032.148001 135.659657 BFGS: 63 15:56:30 4013.977393 134.847815 BFGS: 64 15:56:30 3996.047527 134.050557 BFGS: 65 15:56:30 3978.347478 133.266830 BFGS: 66 15:56:30 3960.860575 132.494338 BFGS: 67 15:56:30 3943.566735 131.731058 BFGS: 68 15:56:30 3926.465202 130.977322 BFGS: 69 15:56:30 3909.555084 130.233176 BFGS: 70 15:56:30 3892.835405 129.498577 BFGS: 71 15:56:30 3876.305124 128.773454 BFGS: 72 15:56:30 3859.963141 128.057728 BFGS: 73 15:56:30 3843.808296 127.351314 BFGS: 74 15:56:30 3827.839377 126.654126 BFGS: 75 15:56:30 3812.055116 125.966073 BFGS: 76 15:56:30 3796.454178 125.287656 BFGS: 77 15:56:30 3781.037418 124.618501 BFGS: 78 15:56:31 3765.803807 123.958378 BFGS: 79 15:56:31 3750.751867 123.307156 BFGS: 80 15:56:31 3735.880075 122.664727 BFGS: 81 15:56:31 3721.186861 122.030984 BFGS: 82 15:56:31 3706.670515 121.410463 BFGS: 83 15:56:31 3692.340316 120.800835 BFGS: 84 15:56:31 3678.198844 120.200362 BFGS: 85 15:56:31 3664.244264 119.608910 BFGS: 86 15:56:31 3650.474678 119.026447 BFGS: 87 15:56:31 3636.888242 118.455864 BFGS: 88 15:56:31 3623.489595 117.895396 BFGS: 89 15:56:31 3610.277342 117.345031 BFGS: 90 15:56:31 3597.249837 116.803608 BFGS: 91 15:56:32 3584.404889 116.271078 BFGS: 92 15:56:32 3571.740205 115.749131 BFGS: 93 15:56:32 3559.254049 115.236720 BFGS: 94 15:56:32 3546.944577 114.732653 BFGS: 95 15:56:32 3534.809258 114.237181 BFGS: 96 15:56:32 3522.842183 113.749499 BFGS: 97 15:56:32 3511.040847 113.270015 BFGS: 98 15:56:32 3499.398296 112.798392 BFGS: 99 15:56:32 3487.907646 112.333686 BFGS: 100 15:56:32 3476.564187 111.875659 BFGS: 101 15:56:32 3465.353172 111.423526 BFGS: 102 15:56:33 3454.272749 110.977213 BFGS: 103 15:56:33 3443.321056 110.536627 BFGS: 104 15:56:33 3432.496227 110.101672 BFGS: 105 15:56:33 3421.796395 109.672244 BFGS: 106 15:56:33 3411.219691 109.248243 BFGS: 107 15:56:33 3400.764245 108.829565 BFGS: 108 15:56:33 3390.428193 108.416109 BFGS: 109 15:56:33 3380.209670 108.007774 BFGS: 110 15:56:34 3370.106817 107.604460 BFGS: 111 15:56:34 3360.117784 107.206066 BFGS: 112 15:56:34 3350.240722 106.812495 BFGS: 113 15:56:34 3340.473796 106.423647 BFGS: 114 15:56:34 3330.815175 106.039425 BFGS: 115 15:56:34 3321.263042 105.659735 BFGS: 116 15:56:34 3311.815589 105.284479 BFGS: 117 15:56:35 3302.471021 104.913564 BFGS: 118 15:56:35 3293.227555 104.546897 BFGS: 119 15:56:35 3284.083421 104.184385 BFGS: 120 15:56:35 3275.036864 103.826053 BFGS: 121 15:56:35 3266.086144 103.472932 BFGS: 122 15:56:35 3257.229965 103.124235 BFGS: 123 15:56:36 3248.466807 102.779353 BFGS: 124 15:56:36 3239.794956 102.438208 BFGS: 125 15:56:36 3231.212719 102.100714 BFGS: 126 15:56:36 3222.718425 101.766785 BFGS: 127 15:56:36 3214.310429 101.436336 BFGS: 128 15:56:36 3205.987100 101.109796 BFGS: 129 15:56:37 3197.747492 100.788383 BFGS: 130 15:56:37 3189.592390 100.472523 BFGS: 131 15:56:37 3181.523020 100.162192 BFGS: 132 15:56:37 3173.540449 99.855374 BFGS: 133 15:56:38 3165.643035 99.551973 BFGS: 134 15:56:38 3157.829142 99.251897 BFGS: 135 15:56:38 3150.097158 98.955061 BFGS: 136 15:56:39 3142.445494 98.661383 BFGS: 137 15:56:39 3134.872582 98.370787 BFGS: 138 15:56:39 3127.376879 98.083195 BFGS: 139 15:56:39 3119.956853 97.799110 BFGS: 140 15:56:39 3112.611719 97.519129 BFGS: 141 15:56:39 3105.341401 97.243152 BFGS: 142 15:56:39 3098.145260 96.970955 BFGS: 143 15:56:39 3091.022145 96.702033 BFGS: 144 15:56:40 3083.970834 96.436229 BFGS: 145 15:56:40 3076.990133 96.173000 BFGS: 146 15:56:40 3070.078639 95.912331 BFGS: 147 15:56:40 3063.234955 95.654326 BFGS: 148 15:56:40 3056.457747 95.399113 BFGS: 149 15:56:40 3049.745809 95.146263 BFGS: 150 15:56:40 3043.097828 94.895738 BFGS: 151 15:56:40 3036.512491 94.647489 BFGS: 152 15:56:40 3029.988502 94.401461 BFGS: 153 15:56:40 3023.524573 94.158007 BFGS: 154 15:56:40 3017.119876 93.916973 BFGS: 155 15:56:41 3010.773451 93.678449 BFGS: 156 15:56:41 3004.484511 93.441974 BFGS: 157 15:56:41 2998.251831 93.207483 BFGS: 158 15:56:41 2992.074204 92.975378 BFGS: 159 15:56:41 2985.950901 92.745290 BFGS: 160 15:56:41 2979.880878 92.517053 BFGS: 161 15:56:41 2973.862998 92.290612 BFGS: 162 15:56:41 2967.896147 92.065912 BFGS: 163 15:56:41 2961.979224 91.842903 BFGS: 164 15:56:41 2956.111151 91.621534 BFGS: 165 15:56:42 2950.290869 91.401759 BFGS: 166 15:56:42 2944.517338 91.183528 BFGS: 167 15:56:42 2938.789537 90.966797 BFGS: 168 15:56:42 2933.106465 90.751520 BFGS: 169 15:56:42 2927.467137 90.537653 BFGS: 170 15:56:43 2921.870589 90.325152 BFGS: 171 15:56:43 2916.315875 90.113977 BFGS: 172 15:56:43 2910.802066 89.904086 BFGS: 173 15:56:43 2905.328249 89.695438 BFGS: 174 15:56:43 2899.893531 89.487995 BFGS: 175 15:56:43 2894.497034 89.281718 BFGS: 176 15:56:43 2889.137896 89.076569 BFGS: 177 15:56:43 2883.815272 88.872511 BFGS: 178 15:56:43 2878.528334 88.669510 BFGS: 179 15:56:43 2873.276268 88.467530 BFGS: 180 15:56:44 2868.058246 88.268132 BFGS: 181 15:56:44 2862.874005 88.069832 BFGS: 182 15:56:44 2857.723027 87.872384 BFGS: 183 15:56:44 2852.604607 87.675820 BFGS: 184 15:56:44 2847.518019 87.480175 BFGS: 185 15:56:44 2842.462521 87.285414 BFGS: 186 15:56:44 2837.437384 87.091551 BFGS: 187 15:56:44 2832.441871 86.898649 BFGS: 188 15:56:44 2827.475230 86.706579 BFGS: 189 15:56:44 2822.536750 86.515270 BFGS: 190 15:56:44 2817.625752 86.324682 BFGS: 191 15:56:44 2812.741577 86.134782 BFGS: 192 15:56:44 2807.883577 85.945543 BFGS: 193 15:56:44 2803.051121 85.756938 BFGS: 194 15:56:44 2798.243585 85.568942 BFGS: 195 15:56:44 2793.460360 85.381531 BFGS: 196 15:56:44 2788.700846 85.194680 BFGS: 197 15:56:44 2783.964454 85.008367 BFGS: 198 15:56:44 2779.250605 84.822569 BFGS: 199 15:56:44 2774.558678 84.639545 BFGS: 200 15:56:44 2769.890195 84.458636 BFGS: 201 15:56:44 2765.245079 84.278929 BFGS: 202 15:56:45 2760.622315 84.099758 BFGS: 203 15:56:45 2756.021322 83.921077 BFGS: 204 15:56:45 2751.441552 83.742866 BFGS: 205 15:56:45 2746.882471 83.565180 BFGS: 206 15:56:45 2742.343497 83.388125 BFGS: 207 15:56:45 2737.823977 83.211420 BFGS: 208 15:56:45 2733.323447 83.035080 BFGS: 209 15:56:45 2728.841429 82.859101 BFGS: 210 15:56:45 2724.377439 82.683575 BFGS: 211 15:56:45 2719.930928 82.508393 BFGS: 212 15:56:45 2715.501415 82.333507 BFGS: 213 15:56:46 2711.088454 82.158909 BFGS: 214 15:56:46 2706.691595 81.984589 BFGS: 215 15:56:46 2702.310393 81.810532 BFGS: 216 15:56:46 2697.944410 81.636722 BFGS: 217 15:56:46 2693.593213 81.463144 BFGS: 218 15:56:46 2689.256374 81.289783 BFGS: 219 15:56:47 2684.933475 81.116625 BFGS: 220 15:56:47 2680.624102 80.943656 BFGS: 221 15:56:47 2676.327848 80.770860 BFGS: 222 15:56:47 2672.044312 80.598225 BFGS: 223 15:56:47 2667.773099 80.425738 BFGS: 224 15:56:47 2663.513819 80.253385 BFGS: 225 15:56:47 2659.266089 80.081153 BFGS: 226 15:56:47 2655.029531 79.909030 BFGS: 227 15:56:47 2650.803773 79.737003 BFGS: 228 15:56:47 2646.588447 79.565061 BFGS: 229 15:56:47 2642.383190 79.393193 BFGS: 230 15:56:47 2638.187647 79.221385 BFGS: 231 15:56:48 2634.001465 79.049629 BFGS: 232 15:56:48 2629.824297 78.877911 BFGS: 233 15:56:48 2625.655800 78.706222 BFGS: 234 15:56:48 2621.495637 78.534552 BFGS: 235 15:56:48 2617.343475 78.362889 BFGS: 236 15:56:48 2613.198984 78.191225 BFGS: 237 15:56:48 2609.061840 78.019549 BFGS: 238 15:56:48 2604.931724 77.847851 BFGS: 239 15:56:48 2600.808318 77.676123 BFGS: 240 15:56:48 2596.691312 77.504355 BFGS: 241 15:56:48 2592.580397 77.332538 BFGS: 242 15:56:48 2588.475269 77.160664 BFGS: 243 15:56:48 2584.375628 76.988723 BFGS: 244 15:56:48 2580.281178 76.816708 BFGS: 245 15:56:48 2576.191626 76.644611 BFGS: 246 15:56:48 2572.106684 76.472422 BFGS: 247 15:56:48 2568.026065 76.300136 BFGS: 248 15:56:48 2563.949473 76.128655 BFGS: 249 15:56:48 2559.876878 75.957124 BFGS: 250 15:56:49 2555.808128 75.785887 BFGS: 251 15:56:49 2551.743088 75.615093 BFGS: 252 15:56:49 2547.681710 75.444112 BFGS: 253 15:56:49 2543.623804 75.273219 BFGS: 254 15:56:49 2539.569178 75.102490 BFGS: 255 15:56:49 2535.517684 74.931608 BFGS: 256 15:56:49 2531.469103 74.760594 BFGS: 257 15:56:49 2527.423207 74.589449 BFGS: 258 15:56:49 2523.379746 74.418174 BFGS: 259 15:56:49 2519.338483 74.246760 BFGS: 260 15:56:49 2515.299168 74.075204 BFGS: 261 15:56:50 2511.261565 73.903901 BFGS: 262 15:56:50 2507.225517 73.733520 BFGS: 263 15:56:50 2503.191110 73.563271 BFGS: 264 15:56:50 2499.158183 73.392894 BFGS: 265 15:56:50 2495.126495 73.222367 BFGS: 266 15:56:50 2491.095808 73.051695 BFGS: 267 15:56:50 2487.065910 72.880857 BFGS: 268 15:56:50 2483.036566 72.709867 BFGS: 269 15:56:50 2479.007579 72.538699 BFGS: 270 15:56:50 2474.978714 72.367371 BFGS: 271 15:56:50 2470.949786 72.195854 BFGS: 272 15:56:50 2466.920559 72.024173 BFGS: 273 15:56:51 2462.890863 71.852288 BFGS: 274 15:56:51 2458.860456 71.680239 BFGS: 275 15:56:51 2454.829189 71.507969 BFGS: 276 15:56:51 2450.796809 71.335538 BFGS: 277 15:56:51 2446.763195 71.162867 BFGS: 278 15:56:51 2442.728078 70.990043 BFGS: 279 15:56:51 2438.691373 70.816955 BFGS: 280 15:56:51 2434.652789 70.643727 BFGS: 281 15:56:51 2430.612290 70.470208 BFGS: 282 15:56:51 2426.569556 70.296570 BFGS: 283 15:56:51 2422.524607 70.122610 BFGS: 284 15:56:51 2418.477088 69.948579 BFGS: 285 15:56:52 2414.427057 69.774542 BFGS: 286 15:56:52 2410.374225 69.600408 BFGS: 287 15:56:52 2406.318700 69.425894 BFGS: 288 15:56:52 2402.260085 69.251296 BFGS: 289 15:56:52 2398.198417 69.076342 BFGS: 290 15:56:52 2394.133324 68.901276 BFGS: 291 15:56:53 2390.064795 68.725878 BFGS: 292 15:56:53 2385.992510 68.550336 BFGS: 293 15:56:53 2381.916373 68.376417 BFGS: 294 15:56:54 2377.837961 68.202698 BFGS: 295 15:56:54 2373.756894 68.028854 BFGS: 296 15:56:54 2369.672817 67.854884 BFGS: 297 15:56:54 2365.585597 67.680700 BFGS: 298 15:56:54 2361.495026 67.506344 BFGS: 299 15:56:54 2357.400995 67.331770 BFGS: 300 15:56:54 2353.303332 67.157009 BFGS: 301 15:56:54 2349.201926 66.982031 BFGS: 302 15:56:54 2345.096621 66.806858 BFGS: 303 15:56:54 2340.987304 66.631470 BFGS: 304 15:56:54 2336.873833 66.455882 BFGS: 305 15:56:54 2332.756094 66.280078 BFGS: 306 15:56:54 2328.633952 66.104070 BFGS: 307 15:56:54 2324.507297 65.927848 BFGS: 308 15:56:54 2320.376002 65.751417 BFGS: 309 15:56:55 2316.239957 65.574772 BFGS: 310 15:56:55 2312.099045 65.397917 BFGS: 311 15:56:55 2307.953158 65.220846 BFGS: 312 15:56:55 2303.802184 65.043564 BFGS: 313 15:56:55 2299.646020 64.866067 BFGS: 314 15:56:55 2295.484561 64.688357 BFGS: 315 15:56:55 2291.317707 64.510432 BFGS: 316 15:56:55 2287.145358 64.332294 BFGS: 317 15:56:55 2282.967419 64.153941 BFGS: 318 15:56:55 2278.783795 63.975375 BFGS: 319 15:56:56 2274.594396 63.796595 BFGS: 320 15:56:56 2270.399132 63.617601 BFGS: 321 15:56:56 2266.197919 63.438394 BFGS: 322 15:56:56 2261.990671 63.258975 BFGS: 323 15:56:56 2257.777308 63.079343 BFGS: 324 15:56:56 2253.557751 62.899501 BFGS: 325 15:56:56 2249.331925 62.719447 BFGS: 326 15:56:56 2245.099745 62.539958 BFGS: 327 15:56:56 2240.861872 62.361654 BFGS: 328 15:56:56 2236.619380 62.184183 BFGS: 329 15:56:56 2232.372674 62.007023 BFGS: 330 15:56:57 2228.121715 61.829831 BFGS: 331 15:56:57 2223.866304 61.652546 BFGS: 332 15:56:57 2219.606337 61.475139 BFGS: 333 15:56:57 2215.341738 61.297607 BFGS: 334 15:56:57 2211.072449 61.119944 BFGS: 335 15:56:57 2206.798415 60.942153 BFGS: 336 15:56:57 2202.519585 60.764231 BFGS: 337 15:56:57 2198.235911 60.586183 BFGS: 338 15:56:57 2193.947348 60.408007 BFGS: 339 15:56:57 2189.653852 60.229705 BFGS: 340 15:56:57 2185.355384 60.051280 BFGS: 341 15:56:57 2181.051905 59.872732 BFGS: 342 15:56:57 2176.743379 59.694062 BFGS: 343 15:56:57 2172.429774 59.515274 BFGS: 344 15:56:57 2168.111059 59.336367 BFGS: 345 15:56:57 2163.787206 59.157344 BFGS: 346 15:56:57 2159.458181 58.978237 BFGS: 347 15:56:57 2155.123371 58.799028 BFGS: 348 15:56:57 2150.782273 58.619676 BFGS: 349 15:56:57 2146.434847 58.440423 BFGS: 350 15:56:57 2142.081103 58.263033 BFGS: 351 15:56:57 2137.721907 58.085587 BFGS: 352 15:56:57 2133.357174 57.908049 BFGS: 353 15:56:57 2128.986866 57.730412 BFGS: 354 15:56:57 2124.610899 57.554624 BFGS: 355 15:56:57 2120.230058 57.379116 BFGS: 356 15:56:57 2115.844420 57.204344 BFGS: 357 15:56:57 2111.454273 57.029891 BFGS: 358 15:56:57 2107.059742 56.855404 BFGS: 359 15:56:57 2102.660825 56.680882 BFGS: 360 15:56:57 2098.257520 56.506325 BFGS: 361 15:56:57 2093.849834 56.331733 BFGS: 362 15:56:57 2089.437770 56.157109 BFGS: 363 15:56:58 2085.021337 55.982454 BFGS: 364 15:56:58 2080.600542 55.807770 BFGS: 365 15:56:58 2076.175398 55.633061 BFGS: 366 15:56:58 2071.745911 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BFGS: 1112 15:57:07 299.735346 5.186541 BFGS: 1113 15:57:07 299.049377 5.172479 BFGS: 1114 15:57:07 298.365247 5.158445 BFGS: 1115 15:57:07 297.682933 5.145221 BFGS: 1116 15:57:07 297.002296 5.133159 BFGS: 1117 15:57:07 296.323271 5.121116 BFGS: 1118 15:57:07 295.645851 5.109093 BFGS: 1119 15:57:07 294.970029 5.097089 BFGS: 1120 15:57:07 294.295798 5.085104 BFGS: 1121 15:57:07 293.623152 5.073138 BFGS: 1122 15:57:07 292.952084 5.061192 BFGS: 1123 15:57:07 292.282589 5.049266 BFGS: 1124 15:57:07 291.614659 5.037359 BFGS: 1125 15:57:07 290.948291 5.025472 BFGS: 1126 15:57:07 290.283478 5.013604 BFGS: 1127 15:57:07 289.620215 5.001756 BFGS: 1128 15:57:08 288.958497 4.989929 BFGS: 1129 15:57:08 288.298319 4.978120 BFGS: 1130 15:57:08 287.639676 4.966332 BFGS: 1131 15:57:08 286.982563 4.954564 BFGS: 1132 15:57:08 286.326977 4.942816 BFGS: 1133 15:57:08 285.672912 4.931087 BFGS: 1134 15:57:08 285.020365 4.919379 BFGS: 1135 15:57:08 284.369331 4.907690 BFGS: 1136 15:57:08 283.719806 4.896022 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BFGS: 1162 15:57:08 267.336524 4.615392 BFGS: 1163 15:57:08 266.724655 4.605326 BFGS: 1164 15:57:08 266.114085 4.595278 BFGS: 1165 15:57:08 265.504810 4.585248 BFGS: 1166 15:57:08 264.896829 4.575236 BFGS: 1167 15:57:08 264.290137 4.565243 BFGS: 1168 15:57:08 263.684733 4.555268 BFGS: 1169 15:57:08 263.080613 4.545310 BFGS: 1170 15:57:08 262.477774 4.535391 BFGS: 1171 15:57:08 261.876244 4.525532 BFGS: 1172 15:57:08 261.276119 4.515710 BFGS: 1173 15:57:08 260.677440 4.505907 BFGS: 1174 15:57:08 260.080210 4.496120 BFGS: 1175 15:57:08 259.484420 4.486348 BFGS: 1176 15:57:08 258.890062 4.476592 BFGS: 1177 15:57:08 258.297129 4.466851 BFGS: 1178 15:57:08 257.705612 4.457126 BFGS: 1179 15:57:08 257.115505 4.447418 BFGS: 1180 15:57:08 256.526799 4.437726 BFGS: 1181 15:57:08 255.939490 4.428050 BFGS: 1182 15:57:08 255.353569 4.418390 BFGS: 1183 15:57:08 254.769030 4.408747 BFGS: 1184 15:57:08 254.185868 4.399121 BFGS: 1185 15:57:08 253.604075 4.389511 BFGS: 1186 15:57:08 253.023646 4.379918 BFGS: 1187 15:57:08 252.444575 4.370342 BFGS: 1188 15:57:08 251.866857 4.360783 BFGS: 1189 15:57:08 251.290485 4.351241 BFGS: 1190 15:57:08 250.715455 4.341716 BFGS: 1191 15:57:08 250.141761 4.332208 BFGS: 1192 15:57:08 249.569398 4.322717 BFGS: 1193 15:57:08 248.998361 4.313244 BFGS: 1194 15:57:08 248.428646 4.303787 BFGS: 1195 15:57:08 247.860246 4.294348 BFGS: 1196 15:57:08 247.293159 4.284926 BFGS: 1197 15:57:08 246.727378 4.275522 BFGS: 1198 15:57:08 246.162900 4.266135 BFGS: 1199 15:57:08 245.599721 4.256765 BFGS: 1200 15:57:08 245.037835 4.247412 BFGS: 1201 15:57:08 244.477239 4.238077 BFGS: 1202 15:57:08 243.917929 4.228759 BFGS: 1203 15:57:08 243.359900 4.219459 BFGS: 1204 15:57:08 242.803148 4.210176 BFGS: 1205 15:57:08 242.247670 4.200910 BFGS: 1206 15:57:08 241.693462 4.191662 BFGS: 1207 15:57:08 241.140520 4.182432 BFGS: 1208 15:57:08 240.588840 4.173218 BFGS: 1209 15:57:08 240.038419 4.164022 BFGS: 1210 15:57:08 239.489253 4.154844 BFGS: 1211 15:57:08 238.941338 4.145683 BFGS: 1212 15:57:08 238.394671 4.136539 BFGS: 1213 15:57:08 237.849249 4.127412 BFGS: 1214 15:57:08 237.305068 4.118303 BFGS: 1215 15:57:08 236.762124 4.109211 BFGS: 1216 15:57:08 236.220415 4.100137 BFGS: 1217 15:57:09 235.679937 4.091080 BFGS: 1218 15:57:09 235.140687 4.082040 BFGS: 1219 15:57:09 234.602662 4.073017 BFGS: 1220 15:57:09 234.065858 4.064012 BFGS: 1221 15:57:09 233.530273 4.055024 BFGS: 1222 15:57:09 232.995903 4.046053 BFGS: 1223 15:57:09 232.462746 4.037099 BFGS: 1224 15:57:09 231.930798 4.028162 BFGS: 1225 15:57:09 231.400057 4.019242 BFGS: 1226 15:57:09 230.870519 4.010340 BFGS: 1227 15:57:09 230.342181 4.001454 BFGS: 1228 15:57:09 229.815042 3.992586 BFGS: 1229 15:57:09 229.289097 3.983735 BFGS: 1230 15:57:09 228.764344 3.974900 BFGS: 1231 15:57:09 228.240780 3.966083 BFGS: 1232 15:57:09 227.718403 3.957282 BFGS: 1233 15:57:09 227.197209 3.948499 BFGS: 1234 15:57:09 226.677196 3.939732 BFGS: 1235 15:57:09 226.158361 3.930982 BFGS: 1236 15:57:09 225.640702 3.922249 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BFGS: 1262 15:57:09 212.585732 3.700971 BFGS: 1263 15:57:09 212.098854 3.692678 BFGS: 1264 15:57:09 211.613081 3.684401 BFGS: 1265 15:57:09 211.128413 3.676140 BFGS: 1266 15:57:09 210.644846 3.667894 BFGS: 1267 15:57:09 210.162379 3.659664 BFGS: 1268 15:57:09 209.681010 3.651450 BFGS: 1269 15:57:09 209.200736 3.643252 BFGS: 1270 15:57:09 208.721554 3.635069 BFGS: 1271 15:57:09 208.243463 3.626901 BFGS: 1272 15:57:09 207.766461 3.618749 BFGS: 1273 15:57:09 207.290544 3.610613 BFGS: 1274 15:57:09 206.815712 3.602492 BFGS: 1275 15:57:09 206.341961 3.594386 BFGS: 1276 15:57:09 205.869290 3.586296 BFGS: 1277 15:57:09 205.397697 3.578221 BFGS: 1278 15:57:09 204.927178 3.570161 BFGS: 1279 15:57:09 204.457733 3.562117 BFGS: 1280 15:57:09 203.989359 3.554087 BFGS: 1281 15:57:09 203.522053 3.546073 BFGS: 1282 15:57:09 203.055814 3.538074 BFGS: 1283 15:57:09 202.590639 3.530090 BFGS: 1284 15:57:09 202.126527 3.522122 BFGS: 1285 15:57:09 201.663475 3.514168 BFGS: 1286 15:57:09 201.201481 3.506229 BFGS: 1287 15:57:09 200.740543 3.498305 BFGS: 1288 15:57:09 200.280659 3.490396 BFGS: 1289 15:57:09 199.821826 3.482502 BFGS: 1290 15:57:09 199.364043 3.474623 BFGS: 1291 15:57:09 198.907308 3.466758 BFGS: 1292 15:57:09 198.451618 3.458908 BFGS: 1293 15:57:09 197.996972 3.451073 BFGS: 1294 15:57:09 197.543367 3.443253 BFGS: 1295 15:57:09 197.090802 3.435447 BFGS: 1296 15:57:09 196.639273 3.427656 BFGS: 1297 15:57:09 196.188780 3.419880 BFGS: 1298 15:57:09 195.739320 3.412118 BFGS: 1299 15:57:09 195.290891 3.404370 BFGS: 1300 15:57:09 194.843491 3.396637 BFGS: 1301 15:57:09 194.397119 3.388919 BFGS: 1302 15:57:09 193.951771 3.381214 BFGS: 1303 15:57:09 193.507447 3.373525 BFGS: 1304 15:57:09 193.064143 3.365849 BFGS: 1305 15:57:09 192.621858 3.358188 BFGS: 1306 15:57:10 192.180591 3.350541 BFGS: 1307 15:57:10 191.740338 3.342908 BFGS: 1308 15:57:10 191.301099 3.335290 BFGS: 1309 15:57:10 190.862871 3.327685 BFGS: 1310 15:57:10 190.425651 3.320095 BFGS: 1311 15:57:10 189.989444 3.312519 BFGS: 1312 15:57:10 189.554261 3.304956 BFGS: 1313 15:57:10 189.120102 3.297408 BFGS: 1314 15:57:10 188.686963 3.289873 BFGS: 1315 15:57:10 188.254841 3.282352 BFGS: 1316 15:57:10 187.823734 3.274844 BFGS: 1317 15:57:10 187.393639 3.267351 BFGS: 1318 15:57:10 186.964555 3.259871 BFGS: 1319 15:57:10 186.536478 3.252405 BFGS: 1320 15:57:10 186.109405 3.244952 BFGS: 1321 15:57:10 185.683336 3.237513 BFGS: 1322 15:57:10 185.258267 3.230088 BFGS: 1323 15:57:10 184.834196 3.222676 BFGS: 1324 15:57:10 184.411120 3.215278 BFGS: 1325 15:57:10 183.989038 3.207893 BFGS: 1326 15:57:10 183.567947 3.200522 BFGS: 1327 15:57:10 183.147844 3.193164 BFGS: 1328 15:57:10 182.728728 3.185820 BFGS: 1329 15:57:10 182.310596 3.178489 BFGS: 1330 15:57:10 181.893445 3.171172 BFGS: 1331 15:57:10 181.477275 3.163868 BFGS: 1332 15:57:10 181.062082 3.156577 BFGS: 1333 15:57:10 180.647864 3.149300 BFGS: 1334 15:57:10 180.234620 3.142036 BFGS: 1335 15:57:10 179.822346 3.134786 BFGS: 1336 15:57:10 179.411041 3.127548 BFGS: 1337 15:57:10 179.000703 3.120324 BFGS: 1338 15:57:10 178.591330 3.113113 BFGS: 1339 15:57:10 178.182919 3.105915 BFGS: 1340 15:57:10 177.775468 3.098731 BFGS: 1341 15:57:10 177.368976 3.091559 BFGS: 1342 15:57:10 176.963440 3.084401 BFGS: 1343 15:57:10 176.558858 3.077255 BFGS: 1344 15:57:10 176.155228 3.070123 BFGS: 1345 15:57:10 175.752548 3.063004 BFGS: 1346 15:57:10 175.350816 3.055898 BFGS: 1347 15:57:10 174.950030 3.048804 BFGS: 1348 15:57:10 174.550189 3.041724 BFGS: 1349 15:57:10 174.151289 3.034656 BFGS: 1350 15:57:10 173.753329 3.027602 BFGS: 1351 15:57:10 173.356308 3.020560 BFGS: 1352 15:57:10 172.960222 3.013531 BFGS: 1353 15:57:10 172.565071 3.006515 BFGS: 1354 15:57:10 172.170852 2.999512 BFGS: 1355 15:57:10 171.777563 2.992521 BFGS: 1356 15:57:10 171.385202 2.985543 BFGS: 1357 15:57:10 170.993768 2.978578 BFGS: 1358 15:57:10 170.603258 2.971625 BFGS: 1359 15:57:10 170.213671 2.964685 BFGS: 1360 15:57:10 169.825005 2.957758 BFGS: 1361 15:57:10 169.437257 2.950843 BFGS: 1362 15:57:10 169.050426 2.943941 BFGS: 1363 15:57:10 168.664511 2.937051 BFGS: 1364 15:57:10 168.279508 2.930174 BFGS: 1365 15:57:10 167.895417 2.923309 BFGS: 1366 15:57:10 167.512235 2.916456 BFGS: 1367 15:57:10 167.129961 2.909616 BFGS: 1368 15:57:10 166.748592 2.902789 BFGS: 1369 15:57:10 166.368128 2.895973 BFGS: 1370 15:57:10 165.988565 2.889170 BFGS: 1371 15:57:10 165.609903 2.882380 BFGS: 1372 15:57:10 165.232139 2.875601 BFGS: 1373 15:57:10 164.855273 2.868835 BFGS: 1374 15:57:10 164.479300 2.862081 BFGS: 1375 15:57:10 164.104221 2.855339 BFGS: 1376 15:57:10 163.730034 2.848609 BFGS: 1377 15:57:10 163.356736 2.841892 BFGS: 1378 15:57:10 162.984325 2.835186 BFGS: 1379 15:57:10 162.612801 2.828493 BFGS: 1380 15:57:10 162.242161 2.821811 BFGS: 1381 15:57:10 161.872403 2.815142 BFGS: 1382 15:57:10 161.503526 2.808484 BFGS: 1383 15:57:10 161.135528 2.801839 BFGS: 1384 15:57:10 160.768408 2.795205 BFGS: 1385 15:57:10 160.402163 2.788583 BFGS: 1386 15:57:10 160.036791 2.781974 BFGS: 1387 15:57:10 159.672292 2.775376 BFGS: 1388 15:57:10 159.308663 2.768789 BFGS: 1389 15:57:10 158.945903 2.762215 BFGS: 1390 15:57:10 158.584010 2.755652 BFGS: 1391 15:57:10 158.222981 2.749101 BFGS: 1392 15:57:10 157.862817 2.742562 BFGS: 1393 15:57:10 157.503514 2.736035 BFGS: 1394 15:57:10 157.145072 2.729519 BFGS: 1395 15:57:11 156.787488 2.723015 BFGS: 1396 15:57:11 156.430761 2.716522 BFGS: 1397 15:57:11 156.074889 2.710041 BFGS: 1398 15:57:11 155.719871 2.703571 BFGS: 1399 15:57:11 155.365704 2.697113 BFGS: 1400 15:57:11 155.012388 2.690667 BFGS: 1401 15:57:11 154.659920 2.684231 BFGS: 1402 15:57:11 154.308299 2.677808 BFGS: 1403 15:57:11 153.957524 2.671395 BFGS: 1404 15:57:11 153.607592 2.664994 BFGS: 1405 15:57:11 153.258502 2.658605 BFGS: 1406 15:57:11 152.910252 2.652227 BFGS: 1407 15:57:11 152.562841 2.645860 BFGS: 1408 15:57:11 152.216268 2.639504 BFGS: 1409 15:57:11 151.870530 2.633160 BFGS: 1410 15:57:11 151.525626 2.626826 BFGS: 1411 15:57:11 151.181554 2.620504 BFGS: 1412 15:57:11 150.838313 2.614194 BFGS: 1413 15:57:11 150.495901 2.607894 BFGS: 1414 15:57:11 150.154316 2.601605 BFGS: 1415 15:57:11 149.813558 2.595328 BFGS: 1416 15:57:11 149.473624 2.589061 BFGS: 1417 15:57:11 149.134513 2.582806 BFGS: 1418 15:57:11 148.796223 2.576562 BFGS: 1419 15:57:11 148.458752 2.570328 BFGS: 1420 15:57:11 148.122100 2.564106 BFGS: 1421 15:57:11 147.786264 2.557894 BFGS: 1422 15:57:11 147.451244 2.551694 BFGS: 1423 15:57:11 147.117037 2.545504 BFGS: 1424 15:57:11 146.783641 2.539325 BFGS: 1425 15:57:11 146.451056 2.533157 BFGS: 1426 15:57:11 146.119280 2.527000 BFGS: 1427 15:57:11 145.788312 2.520854 BFGS: 1428 15:57:11 145.458149 2.514718 BFGS: 1429 15:57:11 145.128790 2.508593 BFGS: 1430 15:57:11 144.800234 2.502479 BFGS: 1431 15:57:11 144.472479 2.496375 BFGS: 1432 15:57:11 144.145524 2.490282 BFGS: 1433 15:57:11 143.819367 2.484200 BFGS: 1434 15:57:11 143.494006 2.478129 BFGS: 1435 15:57:11 143.169441 2.472068 BFGS: 1436 15:57:11 142.845670 2.466017 BFGS: 1437 15:57:11 142.522690 2.459977 BFGS: 1438 15:57:11 142.200502 2.453948 BFGS: 1439 15:57:11 141.879102 2.447929 BFGS: 1440 15:57:11 141.558491 2.441920 BFGS: 1441 15:57:11 141.238665 2.435922 BFGS: 1442 15:57:11 140.919624 2.429935 BFGS: 1443 15:57:11 140.601367 2.423957 BFGS: 1444 15:57:11 140.283891 2.417991 BFGS: 1445 15:57:11 139.967196 2.412034 BFGS: 1446 15:57:11 139.651280 2.406088 BFGS: 1447 15:57:11 139.336141 2.400152 BFGS: 1448 15:57:11 139.021778 2.394226 BFGS: 1449 15:57:11 138.708189 2.388311 BFGS: 1450 15:57:11 138.395374 2.382406 BFGS: 1451 15:57:11 138.083330 2.376511 BFGS: 1452 15:57:11 137.772057 2.370626 BFGS: 1453 15:57:11 137.461552 2.364752 BFGS: 1454 15:57:11 137.151815 2.358887 BFGS: 1455 15:57:11 136.842843 2.353033 BFGS: 1456 15:57:11 136.534636 2.347189 BFGS: 1457 15:57:11 136.227193 2.341354 BFGS: 1458 15:57:11 135.920510 2.335530 BFGS: 1459 15:57:11 135.614588 2.329716 BFGS: 1460 15:57:11 135.309425 2.323912 BFGS: 1461 15:57:11 135.005019 2.318118 BFGS: 1462 15:57:11 134.701370 2.312334 BFGS: 1463 15:57:11 134.398475 2.306559 BFGS: 1464 15:57:11 134.096333 2.300795 BFGS: 1465 15:57:11 133.794943 2.295040 BFGS: 1466 15:57:11 133.494303 2.289296 BFGS: 1467 15:57:11 133.194412 2.283561 BFGS: 1468 15:57:11 132.895270 2.277836 BFGS: 1469 15:57:11 132.596873 2.272121 BFGS: 1470 15:57:11 132.299221 2.266415 BFGS: 1471 15:57:12 132.002313 2.260720 BFGS: 1472 15:57:12 131.706147 2.255034 BFGS: 1473 15:57:12 131.410722 2.249357 BFGS: 1474 15:57:12 131.116036 2.243691 BFGS: 1475 15:57:12 130.822088 2.238034 BFGS: 1476 15:57:12 130.528877 2.232387 BFGS: 1477 15:57:12 130.236402 2.226749 BFGS: 1478 15:57:12 129.944660 2.221121 BFGS: 1479 15:57:12 129.653651 2.215502 BFGS: 1480 15:57:12 129.363374 2.209893 BFGS: 1481 15:57:12 129.073826 2.204294 BFGS: 1482 15:57:12 128.785007 2.198704 BFGS: 1483 15:57:12 128.496915 2.193124 BFGS: 1484 15:57:12 128.209550 2.187553 BFGS: 1485 15:57:12 127.922909 2.181991 BFGS: 1486 15:57:12 127.636991 2.176439 BFGS: 1487 15:57:12 127.351795 2.170897 BFGS: 1488 15:57:12 127.067320 2.165363 BFGS: 1489 15:57:12 126.783565 2.159839 BFGS: 1490 15:57:12 126.500527 2.154325 BFGS: 1491 15:57:12 126.218207 2.148819 BFGS: 1492 15:57:12 125.936601 2.143324 BFGS: 1493 15:57:12 125.655710 2.137837 BFGS: 1494 15:57:12 125.375532 2.132359 BFGS: 1495 15:57:12 125.096065 2.126891 BFGS: 1496 15:57:12 124.817309 2.121432 BFGS: 1497 15:57:12 124.539261 2.115982 BFGS: 1498 15:57:12 124.261921 2.110542 BFGS: 1499 15:57:12 123.985288 2.105110 BFGS: 1500 15:57:12 123.709359 2.099688 BFGS: 1501 15:57:12 123.434135 2.094275 BFGS: 1502 15:57:12 123.159613 2.088871 BFGS: 1503 15:57:12 122.885792 2.083476 BFGS: 1504 15:57:12 122.612672 2.078090 BFGS: 1505 15:57:12 122.340250 2.072713 BFGS: 1506 15:57:12 122.068526 2.067345 BFGS: 1507 15:57:12 121.797497 2.061986 BFGS: 1508 15:57:12 121.527164 2.056636 BFGS: 1509 15:57:12 121.257525 2.051295 BFGS: 1510 15:57:12 120.988578 2.045963 BFGS: 1511 15:57:12 120.720322 2.040640 BFGS: 1512 15:57:12 120.452756 2.035325 BFGS: 1513 15:57:12 120.185879 2.030020 BFGS: 1514 15:57:12 119.919690 2.024723 BFGS: 1515 15:57:12 119.654186 2.019436 BFGS: 1516 15:57:12 119.389368 2.014157 BFGS: 1517 15:57:12 119.125234 2.008887 BFGS: 1518 15:57:12 118.861782 2.003625 BFGS: 1519 15:57:12 118.599011 1.998373 BFGS: 1520 15:57:12 118.336921 1.993129 BFGS: 1521 15:57:12 118.075509 1.987894 BFGS: 1522 15:57:12 117.814775 1.982667 BFGS: 1523 15:57:12 117.554718 1.977450 BFGS: 1524 15:57:12 117.295336 1.972241 BFGS: 1525 15:57:12 117.036627 1.967040 BFGS: 1526 15:57:12 116.778592 1.961849 BFGS: 1527 15:57:12 116.521228 1.956665 BFGS: 1528 15:57:12 116.264535 1.951491 BFGS: 1529 15:57:12 116.008511 1.946325 BFGS: 1530 15:57:12 115.753155 1.941167 BFGS: 1531 15:57:12 115.498466 1.936018 BFGS: 1532 15:57:12 115.244443 1.930878 BFGS: 1533 15:57:12 114.991084 1.925746 BFGS: 1534 15:57:12 114.738388 1.920623 BFGS: 1535 15:57:12 114.486354 1.915508 BFGS: 1536 15:57:12 114.234982 1.910401 BFGS: 1537 15:57:12 113.984269 1.905303 BFGS: 1538 15:57:12 113.734214 1.900213 BFGS: 1539 15:57:12 113.484817 1.895132 BFGS: 1540 15:57:12 113.236077 1.890059 BFGS: 1541 15:57:12 112.987991 1.884994 BFGS: 1542 15:57:12 112.740559 1.879938 BFGS: 1543 15:57:12 112.493780 1.874890 BFGS: 1544 15:57:12 112.247653 1.869850 BFGS: 1545 15:57:12 112.002176 1.864819 BFGS: 1546 15:57:12 111.757348 1.859796 BFGS: 1547 15:57:12 111.513169 1.854781 BFGS: 1548 15:57:12 111.269636 1.849774 BFGS: 1549 15:57:12 111.026750 1.844776 BFGS: 1550 15:57:12 110.784508 1.839786 BFGS: 1551 15:57:12 110.542910 1.834804 BFGS: 1552 15:57:12 110.301954 1.829830 BFGS: 1553 15:57:12 110.061639 1.824864 BFGS: 1554 15:57:12 109.821964 1.819906 BFGS: 1555 15:57:12 109.582929 1.814957 BFGS: 1556 15:57:12 109.344531 1.810015 BFGS: 1557 15:57:12 109.106771 1.805082 BFGS: 1558 15:57:12 108.869646 1.800156 BFGS: 1559 15:57:12 108.633155 1.795239 BFGS: 1560 15:57:12 108.397298 1.790330 BFGS: 1561 15:57:13 108.162073 1.785428 BFGS: 1562 15:57:13 107.927480 1.780535 BFGS: 1563 15:57:13 107.693516 1.775650 BFGS: 1564 15:57:13 107.460182 1.770772 BFGS: 1565 15:57:13 107.227475 1.765903 BFGS: 1566 15:57:13 106.995395 1.761041 BFGS: 1567 15:57:13 106.763941 1.756187 BFGS: 1568 15:57:13 106.533112 1.751342 BFGS: 1569 15:57:13 106.302906 1.746504 BFGS: 1570 15:57:13 106.073322 1.742309 BFGS: 1571 15:57:13 105.844360 1.738259 BFGS: 1572 15:57:13 105.616017 1.734216 BFGS: 1573 15:57:13 105.388295 1.730179 BFGS: 1574 15:57:13 105.161190 1.726149 BFGS: 1575 15:57:13 104.934702 1.722125 BFGS: 1576 15:57:13 104.708830 1.718108 BFGS: 1577 15:57:13 104.483573 1.714097 BFGS: 1578 15:57:13 104.258929 1.710092 BFGS: 1579 15:57:13 104.034898 1.706094 BFGS: 1580 15:57:13 103.811479 1.702102 BFGS: 1581 15:57:13 103.588671 1.698117 BFGS: 1582 15:57:13 103.366472 1.694138 BFGS: 1583 15:57:13 103.144881 1.690165 BFGS: 1584 15:57:13 102.923898 1.686199 BFGS: 1585 15:57:13 102.703521 1.682238 BFGS: 1586 15:57:13 102.483749 1.678285 BFGS: 1587 15:57:13 102.264582 1.674337 BFGS: 1588 15:57:13 102.046018 1.670396 BFGS: 1589 15:57:13 101.828056 1.666460 BFGS: 1590 15:57:13 101.610695 1.662531 BFGS: 1591 15:57:13 101.393933 1.658609 BFGS: 1592 15:57:13 101.177771 1.654692 BFGS: 1593 15:57:13 100.962207 1.650782 BFGS: 1594 15:57:13 100.747240 1.646878 BFGS: 1595 15:57:13 100.532869 1.642980 BFGS: 1596 15:57:13 100.319092 1.639088 BFGS: 1597 15:57:13 100.105910 1.635202 BFGS: 1598 15:57:13 99.893320 1.631322 BFGS: 1599 15:57:13 99.681322 1.627449 BFGS: 1600 15:57:13 99.469915 1.623581 BFGS: 1601 15:57:13 99.259097 1.619720 BFGS: 1602 15:57:13 99.048868 1.615864 BFGS: 1603 15:57:13 98.839227 1.612015 BFGS: 1604 15:57:13 98.630173 1.608172 BFGS: 1605 15:57:13 98.421704 1.604334 BFGS: 1606 15:57:13 98.213820 1.600503 BFGS: 1607 15:57:13 98.006520 1.596678 BFGS: 1608 15:57:13 97.799802 1.592858 BFGS: 1609 15:57:13 97.593666 1.589045 BFGS: 1610 15:57:13 97.388110 1.585238 BFGS: 1611 15:57:13 97.183135 1.581436 BFGS: 1612 15:57:13 96.978738 1.577640 BFGS: 1613 15:57:13 96.774918 1.573851 BFGS: 1614 15:57:13 96.571675 1.570067 BFGS: 1615 15:57:13 96.369008 1.566289 BFGS: 1616 15:57:13 96.166916 1.562517 BFGS: 1617 15:57:13 95.965397 1.558751 BFGS: 1618 15:57:13 95.764451 1.554990 BFGS: 1619 15:57:13 95.564077 1.551236 BFGS: 1620 15:57:13 95.364274 1.547487 BFGS: 1621 15:57:13 95.165040 1.543744 BFGS: 1622 15:57:13 94.966375 1.540007 BFGS: 1623 15:57:13 94.768278 1.536275 BFGS: 1624 15:57:13 94.570748 1.532550 BFGS: 1625 15:57:13 94.373784 1.528830 BFGS: 1626 15:57:13 94.177385 1.525115 BFGS: 1627 15:57:13 93.981550 1.521407 BFGS: 1628 15:57:13 93.786278 1.517704 BFGS: 1629 15:57:13 93.591568 1.514007 BFGS: 1630 15:57:13 93.397419 1.510316 BFGS: 1631 15:57:13 93.203830 1.506630 BFGS: 1632 15:57:13 93.010800 1.502950 BFGS: 1633 15:57:13 92.818329 1.499276 BFGS: 1634 15:57:13 92.626414 1.495607 BFGS: 1635 15:57:13 92.435057 1.491944 BFGS: 1636 15:57:13 92.244254 1.488286 BFGS: 1637 15:57:13 92.054006 1.484634 BFGS: 1638 15:57:13 91.864312 1.480988 BFGS: 1639 15:57:13 91.675170 1.477347 BFGS: 1640 15:57:13 91.486579 1.473712 BFGS: 1641 15:57:13 91.298540 1.470082 BFGS: 1642 15:57:13 91.111050 1.466458 BFGS: 1643 15:57:13 90.924109 1.462839 BFGS: 1644 15:57:13 90.737716 1.459226 BFGS: 1645 15:57:13 90.551870 1.455619 BFGS: 1646 15:57:13 90.366567 1.452030 BFGS: 1647 15:57:13 90.181790 1.448524 BFGS: 1648 15:57:14 89.997516 1.445045 BFGS: 1649 15:57:14 89.813745 1.441575 BFGS: 1650 15:57:14 89.630477 1.438114 BFGS: 1651 15:57:14 89.447708 1.434661 BFGS: 1652 15:57:14 89.265438 1.431216 BFGS: 1653 15:57:14 89.083666 1.427780 BFGS: 1654 15:57:14 88.902389 1.424352 BFGS: 1655 15:57:14 88.721607 1.420932 BFGS: 1656 15:57:14 88.541319 1.417519 BFGS: 1657 15:57:14 88.361522 1.414115 BFGS: 1658 15:57:14 88.182216 1.410718 BFGS: 1659 15:57:14 88.003399 1.407329 BFGS: 1660 15:57:14 87.825070 1.403947 BFGS: 1661 15:57:14 87.647228 1.400573 BFGS: 1662 15:57:14 87.469872 1.397206 BFGS: 1663 15:57:14 87.293000 1.393847 BFGS: 1664 15:57:14 87.116611 1.390495 BFGS: 1665 15:57:14 86.940704 1.387149 BFGS: 1666 15:57:14 86.765278 1.383811 BFGS: 1667 15:57:14 86.590331 1.380480 BFGS: 1668 15:57:14 86.415863 1.377156 BFGS: 1669 15:57:14 86.241872 1.373839 BFGS: 1670 15:57:14 86.068358 1.370528 BFGS: 1671 15:57:14 85.895319 1.367224 BFGS: 1672 15:57:14 85.722753 1.363927 BFGS: 1673 15:57:14 85.550661 1.360637 BFGS: 1674 15:57:14 85.379041 1.357353 BFGS: 1675 15:57:14 85.207892 1.354075 BFGS: 1676 15:57:14 85.037212 1.350804 BFGS: 1677 15:57:14 84.867001 1.347539 BFGS: 1678 15:57:14 84.697259 1.344280 BFGS: 1679 15:57:14 84.527983 1.341028 BFGS: 1680 15:57:14 84.359172 1.337782 BFGS: 1681 15:57:14 84.190827 1.334542 BFGS: 1682 15:57:14 84.022945 1.331308 BFGS: 1683 15:57:14 83.855527 1.328080 BFGS: 1684 15:57:14 83.688570 1.324858 BFGS: 1685 15:57:14 83.522074 1.321642 BFGS: 1686 15:57:14 83.356039 1.318431 BFGS: 1687 15:57:14 83.190462 1.315227 BFGS: 1688 15:57:14 83.025344 1.312029 BFGS: 1689 15:57:14 82.860683 1.308836 BFGS: 1690 15:57:14 82.696478 1.305649 BFGS: 1691 15:57:14 82.532729 1.302467 BFGS: 1692 15:57:14 82.369434 1.299291 BFGS: 1693 15:57:14 82.206593 1.296121 BFGS: 1694 15:57:14 82.044205 1.292956 BFGS: 1695 15:57:14 81.882269 1.289797 BFGS: 1696 15:57:14 81.720784 1.286643 BFGS: 1697 15:57:14 81.559749 1.283495 BFGS: 1698 15:57:14 81.399164 1.280352 BFGS: 1699 15:57:14 81.239027 1.277214 BFGS: 1700 15:57:14 81.079338 1.274082 BFGS: 1701 15:57:14 80.920096 1.270955 BFGS: 1702 15:57:14 80.761299 1.267834 BFGS: 1703 15:57:14 80.602948 1.264717 BFGS: 1704 15:57:14 80.445042 1.261606 BFGS: 1705 15:57:14 80.287579 1.258500 BFGS: 1706 15:57:14 80.130559 1.255399 BFGS: 1707 15:57:14 79.973980 1.252303 BFGS: 1708 15:57:14 79.817843 1.249212 BFGS: 1709 15:57:14 79.662147 1.246126 BFGS: 1710 15:57:14 79.506889 1.243046 BFGS: 1711 15:57:14 79.352071 1.239970 BFGS: 1712 15:57:14 79.197691 1.236899 BFGS: 1713 15:57:14 79.043748 1.233833 BFGS: 1714 15:57:14 78.890242 1.230772 BFGS: 1715 15:57:14 78.737171 1.227716 BFGS: 1716 15:57:14 78.584535 1.224665 BFGS: 1717 15:57:14 78.432334 1.221619 BFGS: 1718 15:57:14 78.280566 1.218577 BFGS: 1719 15:57:14 78.129230 1.215540 BFGS: 1720 15:57:14 77.978327 1.212509 BFGS: 1721 15:57:14 77.827855 1.209481 BFGS: 1722 15:57:14 77.677813 1.206459 BFGS: 1723 15:57:14 77.528201 1.203441 BFGS: 1724 15:57:14 77.379019 1.200428 BFGS: 1725 15:57:14 77.230264 1.197419 BFGS: 1726 15:57:14 77.081937 1.194416 BFGS: 1727 15:57:14 76.934037 1.191416 BFGS: 1728 15:57:14 76.786563 1.188422 BFGS: 1729 15:57:14 76.639514 1.185432 BFGS: 1730 15:57:14 76.492891 1.182446 BFGS: 1731 15:57:14 76.346691 1.179466 BFGS: 1732 15:57:14 76.200914 1.176489 BFGS: 1733 15:57:14 76.055560 1.173517 BFGS: 1734 15:57:15 75.910628 1.170550 BFGS: 1735 15:57:15 75.766117 1.167587 BFGS: 1736 15:57:15 75.622027 1.164629 BFGS: 1737 15:57:15 75.478356 1.161674 BFGS: 1738 15:57:15 75.335105 1.158725 BFGS: 1739 15:57:15 75.192272 1.155780 BFGS: 1740 15:57:15 75.049857 1.152839 BFGS: 1741 15:57:15 74.907859 1.149902 BFGS: 1742 15:57:15 74.766277 1.146970 BFGS: 1743 15:57:15 74.625111 1.144043 BFGS: 1744 15:57:15 74.484360 1.141119 BFGS: 1745 15:57:15 74.344023 1.138200 BFGS: 1746 15:57:15 74.204100 1.135285 BFGS: 1747 15:57:15 74.064590 1.132375 BFGS: 1748 15:57:15 73.925493 1.129468 BFGS: 1749 15:57:15 73.786807 1.126566 BFGS: 1750 15:57:15 73.648532 1.123668 BFGS: 1751 15:57:15 73.510668 1.120775 BFGS: 1752 15:57:15 73.373211 1.118027 BFGS: 1753 15:57:15 73.236147 1.115514 BFGS: 1754 15:57:15 73.099473 1.113011 BFGS: 1755 15:57:15 72.963189 1.110516 BFGS: 1756 15:57:15 72.827292 1.108099 BFGS: 1757 15:57:15 72.691773 1.105799 BFGS: 1758 15:57:15 72.556630 1.103669 BFGS: 1759 15:57:15 72.421846 1.101849 BFGS: 1760 15:57:15 72.287407 1.100276 BFGS: 1761 15:57:15 72.153308 1.098726 BFGS: 1762 15:57:15 72.019546 1.097179 BFGS: 1763 15:57:15 71.886122 1.095635 BFGS: 1764 15:57:15 71.753035 1.094094 BFGS: 1765 15:57:15 71.620283 1.092556 BFGS: 1766 15:57:15 71.487867 1.091025 BFGS: 1767 15:57:15 71.355775 1.089610 BFGS: 1768 15:57:15 71.223982 1.088195 BFGS: 1769 15:57:15 71.092488 1.086781 BFGS: 1770 15:57:15 70.961290 1.085412 BFGS: 1771 15:57:15 70.830374 1.084098 BFGS: 1772 15:57:15 70.699715 1.082918 BFGS: 1773 15:57:15 70.569276 1.081782 BFGS: 1774 15:57:15 70.439051 1.080641 BFGS: 1775 15:57:15 70.309038 1.079495 BFGS: 1776 15:57:15 70.179239 1.078345 BFGS: 1777 15:57:15 70.049652 1.077189 BFGS: 1778 15:57:15 69.920278 1.076030 BFGS: 1779 15:57:15 69.791117 1.074866 BFGS: 1780 15:57:15 69.662170 1.073697 BFGS: 1781 15:57:15 69.533435 1.072525 BFGS: 1782 15:57:15 69.404914 1.071349 BFGS: 1783 15:57:15 69.276606 1.070169 BFGS: 1784 15:57:15 69.148512 1.068986 BFGS: 1785 15:57:15 69.020631 1.067799 BFGS: 1786 15:57:15 68.892964 1.066609 BFGS: 1787 15:57:15 68.765511 1.065416 BFGS: 1788 15:57:15 68.638271 1.064220 BFGS: 1789 15:57:15 68.511246 1.063020 BFGS: 1790 15:57:15 68.384434 1.061819 BFGS: 1791 15:57:15 68.257836 1.060614 BFGS: 1792 15:57:15 68.131452 1.059407 BFGS: 1793 15:57:15 68.005282 1.058197 BFGS: 1794 15:57:15 67.879327 1.056986 BFGS: 1795 15:57:15 67.753585 1.055772 BFGS: 1796 15:57:15 67.628058 1.054555 BFGS: 1797 15:57:15 67.502746 1.053337 BFGS: 1798 15:57:15 67.377647 1.052117 BFGS: 1799 15:57:15 67.252763 1.050895 BFGS: 1800 15:57:15 67.128093 1.049672 BFGS: 1801 15:57:15 67.003638 1.048447 BFGS: 1802 15:57:15 66.879397 1.047220 BFGS: 1803 15:57:15 66.755371 1.045992 BFGS: 1804 15:57:15 66.631559 1.044762 BFGS: 1805 15:57:15 66.507961 1.043531 BFGS: 1806 15:57:15 66.384578 1.042299 BFGS: 1807 15:57:15 66.261410 1.041066 BFGS: 1808 15:57:15 66.138456 1.039832 BFGS: 1809 15:57:15 66.015716 1.038597 BFGS: 1810 15:57:15 65.893191 1.037361 BFGS: 1811 15:57:15 65.770880 1.036124 BFGS: 1812 15:57:15 65.648784 1.034886 BFGS: 1813 15:57:15 65.526902 1.033648 BFGS: 1814 15:57:16 65.405234 1.032409 BFGS: 1815 15:57:16 65.283781 1.031169 BFGS: 1816 15:57:16 65.162541 1.029929 BFGS: 1817 15:57:16 65.041516 1.028689 BFGS: 1818 15:57:16 64.920705 1.027448 BFGS: 1819 15:57:16 64.800108 1.026206 BFGS: 1820 15:57:16 64.679725 1.024965 BFGS: 1821 15:57:16 64.559555 1.023723 BFGS: 1822 15:57:16 64.439600 1.022481 BFGS: 1823 15:57:16 64.319858 1.021239 BFGS: 1824 15:57:16 64.200330 1.019996 BFGS: 1825 15:57:16 64.081015 1.018754 BFGS: 1826 15:57:16 63.961914 1.017512 BFGS: 1827 15:57:16 63.843026 1.016269 BFGS: 1828 15:57:16 63.724351 1.015027 BFGS: 1829 15:57:16 63.605889 1.013785 BFGS: 1830 15:57:16 63.487640 1.012543 BFGS: 1831 15:57:16 63.369604 1.011302 BFGS: 1832 15:57:16 63.251781 1.010060 BFGS: 1833 15:57:16 63.134171 1.008819 BFGS: 1834 15:57:16 63.016773 1.007579 BFGS: 1835 15:57:16 62.899587 1.006338 BFGS: 1836 15:57:16 62.782613 1.005098 BFGS: 1837 15:57:16 62.665852 1.003859 BFGS: 1838 15:57:16 62.549302 1.002620 BFGS: 1839 15:57:16 62.432964 1.001381 BFGS: 1840 15:57:16 62.316838 1.000143 BFGS: 1841 15:57:16 62.200923 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6.834523 0.219387 BFGS: 2943 15:57:30 6.815521 0.219005 BFGS: 2944 15:57:30 6.796551 0.218622 BFGS: 2945 15:57:30 6.777614 0.218240 BFGS: 2946 15:57:30 6.758709 0.217859 BFGS: 2947 15:57:30 6.739836 0.217477 BFGS: 2948 15:57:30 6.720996 0.217096 BFGS: 2949 15:57:30 6.702188 0.216716 BFGS: 2950 15:57:30 6.683412 0.216335 BFGS: 2951 15:57:30 6.664669 0.215955 BFGS: 2952 15:57:30 6.645957 0.215576 BFGS: 2953 15:57:30 6.627278 0.215197 BFGS: 2954 15:57:30 6.608631 0.214818 BFGS: 2955 15:57:30 6.590016 0.214439 BFGS: 2956 15:57:30 6.571433 0.214061 BFGS: 2957 15:57:30 6.552882 0.213683 BFGS: 2958 15:57:30 6.534363 0.213306 BFGS: 2959 15:57:30 6.515877 0.212929 BFGS: 2960 15:57:30 6.497422 0.212552 BFGS: 2961 15:57:30 6.478999 0.212176 BFGS: 2962 15:57:30 6.460608 0.211800 BFGS: 2963 15:57:30 6.442249 0.211424 BFGS: 2964 15:57:30 6.423922 0.211048 BFGS: 2965 15:57:30 6.405626 0.210673 BFGS: 2966 15:57:30 6.387363 0.210299 BFGS: 2967 15:57:30 6.369131 0.209924 BFGS: 2968 15:57:30 6.350931 0.209550 BFGS: 2969 15:57:30 6.332762 0.209177 BFGS: 2970 15:57:30 6.314625 0.208804 BFGS: 2971 15:57:30 6.296520 0.208431 BFGS: 2972 15:57:30 6.278447 0.208058 BFGS: 2973 15:57:30 6.260405 0.207686 BFGS: 2974 15:57:30 6.242395 0.207314 BFGS: 2975 15:57:30 6.224416 0.206942 BFGS: 2976 15:57:30 6.206469 0.206571 BFGS: 2977 15:57:30 6.188553 0.206200 BFGS: 2978 15:57:30 6.170669 0.205830 BFGS: 2979 15:57:30 6.152816 0.205460 BFGS: 2980 15:57:30 6.134995 0.205090 BFGS: 2981 15:57:30 6.117205 0.204720 BFGS: 2982 15:57:30 6.099446 0.204351 BFGS: 2983 15:57:30 6.081719 0.203982 BFGS: 2984 15:57:30 6.064023 0.203614 BFGS: 2985 15:57:31 6.046358 0.203246 BFGS: 2986 15:57:31 6.028725 0.202878 BFGS: 2987 15:57:31 6.011122 0.202510 BFGS: 2988 15:57:31 5.993551 0.202143 BFGS: 2989 15:57:31 5.976011 0.201777 BFGS: 2990 15:57:31 5.958502 0.201410 BFGS: 2991 15:57:31 5.941025 0.201044 BFGS: 2992 15:57:31 5.923578 0.200678 BFGS: 2993 15:57:31 5.906163 0.200313 BFGS: 2994 15:57:31 5.888778 0.199948 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5.011095 0.181072 BFGS: 3048 15:57:32 4.995346 0.180725 BFGS: 3049 15:57:32 4.979627 0.180378 BFGS: 3050 15:57:32 4.963938 0.180031 BFGS: 3051 15:57:32 4.948278 0.179684 BFGS: 3052 15:57:32 4.932648 0.179338 BFGS: 3053 15:57:32 4.917047 0.178993 BFGS: 3054 15:57:32 4.901475 0.178647 BFGS: 3055 15:57:32 4.885933 0.178302 BFGS: 3056 15:57:32 4.870420 0.177957 BFGS: 3057 15:57:32 4.854937 0.177613 BFGS: 3058 15:57:32 4.839483 0.177268 BFGS: 3059 15:57:32 4.824058 0.176924 BFGS: 3060 15:57:32 4.808663 0.176581 BFGS: 3061 15:57:32 4.793297 0.176238 BFGS: 3062 15:57:32 4.777960 0.175895 BFGS: 3063 15:57:32 4.762653 0.175552 BFGS: 3064 15:57:32 4.747374 0.175210 BFGS: 3065 15:57:32 4.732125 0.174868 BFGS: 3066 15:57:32 4.716905 0.174526 BFGS: 3067 15:57:32 4.701714 0.174185 BFGS: 3068 15:57:32 4.686552 0.173843 BFGS: 3069 15:57:32 4.671419 0.173503 BFGS: 3070 15:57:32 4.656315 0.173162 BFGS: 3071 15:57:32 4.641241 0.172822 BFGS: 3072 15:57:32 4.626195 0.172482 BFGS: 3073 15:57:32 4.611178 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BFGS: 3100 15:57:33 4.216588 0.163092 BFGS: 3101 15:57:33 4.202372 0.162761 BFGS: 3102 15:57:33 4.188185 0.162430 BFGS: 3103 15:57:33 4.174026 0.162100 BFGS: 3104 15:57:33 4.159895 0.161770 BFGS: 3105 15:57:33 4.145793 0.161440 BFGS: 3106 15:57:33 4.131718 0.161111 BFGS: 3107 15:57:33 4.117672 0.160781 BFGS: 3108 15:57:33 4.103654 0.160453 BFGS: 3109 15:57:33 4.089664 0.160124 BFGS: 3110 15:57:33 4.075702 0.159796 BFGS: 3111 15:57:33 4.061768 0.159468 BFGS: 3112 15:57:33 4.047862 0.159140 BFGS: 3113 15:57:33 4.033984 0.158813 BFGS: 3114 15:57:33 4.020134 0.158486 BFGS: 3115 15:57:33 4.006312 0.158159 BFGS: 3116 15:57:33 3.992518 0.157833 BFGS: 3117 15:57:33 3.978752 0.157506 BFGS: 3118 15:57:33 3.965013 0.157181 BFGS: 3119 15:57:33 3.951303 0.156855 BFGS: 3120 15:57:33 3.937620 0.156530 BFGS: 3121 15:57:33 3.923965 0.156205 BFGS: 3122 15:57:33 3.910338 0.155880 BFGS: 3123 15:57:33 3.896739 0.155556 BFGS: 3124 15:57:33 3.883167 0.155231 BFGS: 3125 15:57:33 3.869624 0.154908 BFGS: 3126 15:57:33 3.856108 0.154584 BFGS: 3127 15:57:33 3.842619 0.154261 BFGS: 3128 15:57:33 3.829158 0.153938 BFGS: 3129 15:57:33 3.815725 0.153615 BFGS: 3130 15:57:33 3.802319 0.153293 BFGS: 3131 15:57:33 3.788941 0.152971 BFGS: 3132 15:57:33 3.775591 0.152649 BFGS: 3133 15:57:33 3.762268 0.152328 BFGS: 3134 15:57:33 3.748973 0.152007 BFGS: 3135 15:57:33 3.735705 0.151686 BFGS: 3136 15:57:33 3.722464 0.151365 BFGS: 3137 15:57:33 3.709251 0.151045 BFGS: 3138 15:57:33 3.696065 0.150725 BFGS: 3139 15:57:33 3.682907 0.150405 BFGS: 3140 15:57:33 3.669776 0.150086 BFGS: 3141 15:57:33 3.656672 0.149767 BFGS: 3142 15:57:33 3.643596 0.149448 BFGS: 3143 15:57:33 3.630547 0.149129 BFGS: 3144 15:57:33 3.617526 0.148811 BFGS: 3145 15:57:33 3.604531 0.148493 BFGS: 3146 15:57:33 3.591564 0.148175 BFGS: 3147 15:57:33 3.578624 0.147858 BFGS: 3148 15:57:33 3.565711 0.147541 BFGS: 3149 15:57:33 3.552825 0.147224 BFGS: 3150 15:57:33 3.539967 0.146907 BFGS: 3151 15:57:33 3.527135 0.146591 BFGS: 3152 15:57:33 3.514331 0.146275 BFGS: 3153 15:57:33 3.501554 0.145959 BFGS: 3154 15:57:33 3.488803 0.145644 BFGS: 3155 15:57:33 3.476080 0.145329 BFGS: 3156 15:57:33 3.463384 0.145014 BFGS: 3157 15:57:33 3.450715 0.144699 BFGS: 3158 15:57:33 3.438072 0.144385 BFGS: 3159 15:57:33 3.425457 0.144071 BFGS: 3160 15:57:33 3.412868 0.143757 BFGS: 3161 15:57:33 3.400307 0.143444 BFGS: 3162 15:57:33 3.387772 0.143131 BFGS: 3163 15:57:33 3.375264 0.142818 BFGS: 3164 15:57:33 3.362783 0.142506 BFGS: 3165 15:57:33 3.350329 0.142193 BFGS: 3166 15:57:33 3.337901 0.141881 BFGS: 3167 15:57:33 3.325500 0.141570 BFGS: 3168 15:57:33 3.313126 0.141258 BFGS: 3169 15:57:33 3.300779 0.140947 BFGS: 3170 15:57:33 3.288458 0.140636 BFGS: 3171 15:57:33 3.276164 0.140326 BFGS: 3172 15:57:33 3.263897 0.140015 BFGS: 3173 15:57:33 3.251656 0.139705 BFGS: 3174 15:57:33 3.239442 0.139395 BFGS: 3175 15:57:33 3.227254 0.139086 BFGS: 3176 15:57:33 3.215093 0.138777 BFGS: 3177 15:57:33 3.202958 0.138468 BFGS: 3178 15:57:33 3.190850 0.138159 BFGS: 3179 15:57:33 3.178769 0.137851 BFGS: 3180 15:57:33 3.166713 0.137543 BFGS: 3181 15:57:33 3.154685 0.137235 BFGS: 3182 15:57:33 3.142682 0.136927 BFGS: 3183 15:57:33 3.130707 0.136620 BFGS: 3184 15:57:33 3.118757 0.136313 BFGS: 3185 15:57:33 3.106834 0.136007 BFGS: 3186 15:57:33 3.094937 0.135700 BFGS: 3187 15:57:33 3.083066 0.135394 BFGS: 3188 15:57:33 3.071222 0.135088 BFGS: 3189 15:57:33 3.059404 0.134783 BFGS: 3190 15:57:33 3.047612 0.134477 BFGS: 3191 15:57:33 3.035847 0.134172 BFGS: 3192 15:57:33 3.024107 0.133867 BFGS: 3193 15:57:33 3.012394 0.133563 BFGS: 3194 15:57:33 3.000707 0.133259 BFGS: 3195 15:57:34 2.989046 0.132955 BFGS: 3196 15:57:34 2.977411 0.132651 BFGS: 3197 15:57:34 2.965802 0.132348 BFGS: 3198 15:57:34 2.954219 0.132045 BFGS: 3199 15:57:34 2.942663 0.131742 BFGS: 3200 15:57:34 2.931132 0.131439 BFGS: 3201 15:57:34 2.919627 0.131137 BFGS: 3202 15:57:34 2.908149 0.130835 BFGS: 3203 15:57:34 2.896696 0.130533 BFGS: 3204 15:57:34 2.885269 0.130232 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15:57:34 2.586466 0.122193 BFGS: 3232 15:57:34 2.575757 0.121899 BFGS: 3233 15:57:34 2.565073 0.121606 BFGS: 3234 15:57:34 2.554414 0.121312 BFGS: 3235 15:57:34 2.543780 0.121019 BFGS: 3236 15:57:34 2.533171 0.120726 BFGS: 3237 15:57:34 2.522588 0.120434 BFGS: 3238 15:57:34 2.512030 0.120141 BFGS: 3239 15:57:34 2.501497 0.119849 BFGS: 3240 15:57:34 2.490989 0.119557 BFGS: 3241 15:57:34 2.480507 0.119265 BFGS: 3242 15:57:34 2.470049 0.118974 BFGS: 3243 15:57:34 2.459617 0.118683 BFGS: 3244 15:57:34 2.449210 0.118392 BFGS: 3245 15:57:34 2.438828 0.118102 BFGS: 3246 15:57:34 2.428470 0.117811 BFGS: 3247 15:57:34 2.418138 0.117521 BFGS: 3248 15:57:34 2.407831 0.117231 BFGS: 3249 15:57:34 2.397549 0.116942 BFGS: 3250 15:57:34 2.387292 0.116653 BFGS: 3251 15:57:34 2.377059 0.116364 BFGS: 3252 15:57:34 2.366852 0.116075 BFGS: 3253 15:57:34 2.356670 0.115786 BFGS: 3254 15:57:34 2.346512 0.115498 BFGS: 3255 15:57:34 2.336379 0.115210 BFGS: 3256 15:57:34 2.326271 0.114922 BFGS: 3257 15:57:34 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0.107250 BFGS: 3284 15:57:34 2.053247 0.106970 BFGS: 3285 15:57:34 2.043850 0.106689 BFGS: 3286 15:57:34 2.034478 0.106409 BFGS: 3287 15:57:34 2.025129 0.106129 BFGS: 3288 15:57:34 2.015805 0.105850 BFGS: 3289 15:57:35 2.006505 0.105571 BFGS: 3290 15:57:35 1.997229 0.105291 BFGS: 3291 15:57:35 1.987978 0.105013 BFGS: 3292 15:57:35 1.978750 0.104734 BFGS: 3293 15:57:35 1.969547 0.104456 BFGS: 3294 15:57:35 1.960367 0.104177 BFGS: 3295 15:57:35 1.951212 0.103900 BFGS: 3296 15:57:35 1.942080 0.103622 BFGS: 3297 15:57:35 1.932973 0.103345 BFGS: 3298 15:57:35 1.923890 0.103068 BFGS: 3299 15:57:35 1.914830 0.102791 BFGS: 3300 15:57:35 1.905795 0.102514 BFGS: 3301 15:57:35 1.896783 0.102238 BFGS: 3302 15:57:35 1.887796 0.101961 BFGS: 3303 15:57:35 1.878832 0.101686 BFGS: 3304 15:57:35 1.869892 0.101410 BFGS: 3305 15:57:35 1.860976 0.101135 BFGS: 3306 15:57:35 1.852084 0.100859 BFGS: 3307 15:57:35 1.843215 0.100585 BFGS: 3308 15:57:35 1.834371 0.100310 BFGS: 3309 15:57:35 1.825550 0.100035 BFGS: 3310 15:57:35 1.816753 0.099761 BFGS: 3311 15:57:35 1.807979 0.099487 BFGS: 3312 15:57:35 1.799230 0.099214 BFGS: 3313 15:57:35 1.790504 0.098940 BFGS: 3314 15:57:35 1.781801 0.098667 BFGS: 3315 15:57:35 1.773123 0.098394 BFGS: 3316 15:57:35 1.764468 0.098121 BFGS: 3317 15:57:35 1.755836 0.097849 BFGS: 3318 15:57:35 1.747229 0.097577 BFGS: 3319 15:57:35 1.738644 0.097305 BFGS: 3320 15:57:35 1.730084 0.097033 BFGS: 3321 15:57:35 1.721547 0.096761 BFGS: 3322 15:57:35 1.713033 0.096490 BFGS: 3323 15:57:35 1.704543 0.096219 BFGS: 3324 15:57:35 1.696076 0.095948 BFGS: 3325 15:57:35 1.687633 0.095678 BFGS: 3326 15:57:35 1.679213 0.095408 BFGS: 3327 15:57:35 1.670817 0.095137 BFGS: 3328 15:57:35 1.662444 0.094868 BFGS: 3329 15:57:35 1.654095 0.094598 BFGS: 3330 15:57:35 1.645768 0.094329 BFGS: 3331 15:57:35 1.637466 0.094060 BFGS: 3332 15:57:35 1.629186 0.093791 BFGS: 3333 15:57:35 1.620930 0.093522 BFGS: 3334 15:57:35 1.612697 0.093254 BFGS: 3335 15:57:35 1.604487 0.092986 BFGS: 3336 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1.391555 0.085835 BFGS: 3363 15:57:35 1.383989 0.085574 BFGS: 3364 15:57:35 1.376446 0.085312 BFGS: 3365 15:57:35 1.368926 0.085051 BFGS: 3366 15:57:35 1.361428 0.084790 BFGS: 3367 15:57:35 1.353953 0.084530 BFGS: 3368 15:57:35 1.346501 0.084269 BFGS: 3369 15:57:35 1.339071 0.084009 BFGS: 3370 15:57:35 1.331664 0.083749 BFGS: 3371 15:57:35 1.324280 0.083490 BFGS: 3372 15:57:35 1.316918 0.083230 BFGS: 3373 15:57:35 1.309579 0.082971 BFGS: 3374 15:57:35 1.302262 0.082712 BFGS: 3375 15:57:35 1.294968 0.082453 BFGS: 3376 15:57:35 1.287696 0.082195 BFGS: 3377 15:57:35 1.280447 0.081936 BFGS: 3378 15:57:35 1.273220 0.081678 BFGS: 3379 15:57:35 1.266016 0.081420 BFGS: 3380 15:57:35 1.258834 0.081163 BFGS: 3381 15:57:35 1.251675 0.080905 BFGS: 3382 15:57:35 1.244538 0.080648 BFGS: 3383 15:57:35 1.237423 0.080391 BFGS: 3384 15:57:35 1.230331 0.080134 BFGS: 3385 15:57:36 1.223261 0.079878 BFGS: 3386 15:57:36 1.216213 0.079622 BFGS: 3387 15:57:36 1.209188 0.079366 BFGS: 3388 15:57:36 1.202185 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15:57:36 0.862456 0.065870 BFGS: 3442 15:57:36 0.856630 0.065626 BFGS: 3443 15:57:36 0.850826 0.065382 BFGS: 3444 15:57:36 0.845043 0.065139 BFGS: 3445 15:57:36 0.839281 0.064895 BFGS: 3446 15:57:36 0.833541 0.064652 BFGS: 3447 15:57:36 0.827821 0.064409 BFGS: 3448 15:57:36 0.822124 0.064167 BFGS: 3449 15:57:36 0.816447 0.063924 BFGS: 3450 15:57:36 0.810791 0.063682 BFGS: 3451 15:57:36 0.805157 0.063440 BFGS: 3452 15:57:36 0.799544 0.063198 BFGS: 3453 15:57:36 0.793952 0.062957 BFGS: 3454 15:57:36 0.788381 0.062715 BFGS: 3455 15:57:36 0.782832 0.062474 BFGS: 3456 15:57:36 0.777303 0.062233 BFGS: 3457 15:57:36 0.771795 0.061993 BFGS: 3458 15:57:36 0.766309 0.061752 BFGS: 3459 15:57:36 0.760844 0.061512 BFGS: 3460 15:57:36 0.755399 0.061272 BFGS: 3461 15:57:36 0.749976 0.061032 BFGS: 3462 15:57:36 0.744574 0.060792 BFGS: 3463 15:57:36 0.739192 0.060553 BFGS: 3464 15:57:36 0.733832 0.060314 BFGS: 3465 15:57:36 0.728493 0.060075 BFGS: 3466 15:57:36 0.723174 0.059836 BFGS: 3467 15:57:36 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0.030082 BFGS: 3599 15:57:38 0.195933 0.029869 BFGS: 3600 15:57:38 0.193276 0.029657 BFGS: 3601 15:57:38 0.190637 0.029445 BFGS: 3602 15:57:38 0.188018 0.029233 BFGS: 3603 15:57:38 0.185417 0.029021 BFGS: 3604 15:57:38 0.182836 0.028809 BFGS: 3605 15:57:38 0.180272 0.028598 BFGS: 3606 15:57:38 0.177728 0.028386 BFGS: 3607 15:57:38 0.175203 0.028175 BFGS: 3608 15:57:38 0.172696 0.027964 BFGS: 3609 15:57:38 0.170208 0.027754 BFGS: 3610 15:57:38 0.167738 0.027543 BFGS: 3611 15:57:38 0.165287 0.027333 BFGS: 3612 15:57:38 0.162855 0.027123 BFGS: 3613 15:57:38 0.160442 0.026913 BFGS: 3614 15:57:38 0.158047 0.026703 BFGS: 3615 15:57:38 0.155671 0.026493 BFGS: 3616 15:57:38 0.153313 0.026284 BFGS: 3617 15:57:38 0.150974 0.026074 BFGS: 3618 15:57:38 0.148654 0.025865 BFGS: 3619 15:57:38 0.146352 0.025656 BFGS: 3620 15:57:38 0.144069 0.025448 BFGS: 3621 15:57:38 0.141804 0.025239 BFGS: 3622 15:57:38 0.139558 0.025031 BFGS: 3623 15:57:38 0.137330 0.024823 BFGS: 3624 15:57:38 0.135121 0.024615 BFGS: 3625 15:57:38 0.132930 0.024407 BFGS: 3626 15:57:38 0.130758 0.024199 BFGS: 3627 15:57:38 0.128604 0.023992 BFGS: 3628 15:57:38 0.126469 0.023784 BFGS: 3629 15:57:38 0.124352 0.023577 BFGS: 3630 15:57:38 0.122254 0.023370 BFGS: 3631 15:57:38 0.120173 0.023164 BFGS: 3632 15:57:38 0.118112 0.022957 BFGS: 3633 15:57:38 0.116068 0.022751 BFGS: 3634 15:57:38 0.114043 0.022545 BFGS: 3635 15:57:38 0.112037 0.022339 BFGS: 3636 15:57:38 0.110048 0.022133 BFGS: 3637 15:57:38 0.108078 0.021927 BFGS: 3638 15:57:38 0.106127 0.021722 BFGS: 3639 15:57:38 0.104193 0.021516 BFGS: 3640 15:57:38 0.102278 0.021311 BFGS: 3641 15:57:38 0.100381 0.021106 BFGS: 3642 15:57:38 0.098502 0.020901 BFGS: 3643 15:57:38 0.096642 0.020697 BFGS: 3644 15:57:38 0.094800 0.020492 BFGS: 3645 15:57:38 0.092976 0.020288 BFGS: 3646 15:57:38 0.091170 0.020084 BFGS: 3647 15:57:38 0.089382 0.019880 BFGS: 3648 15:57:38 0.087613 0.019676 BFGS: 3649 15:57:38 0.085861 0.019473 BFGS: 3650 15:57:38 0.084128 0.019270 BFGS: 3651 15:57:38 0.082413 0.019066 BFGS: 3652 15:57:38 0.080716 0.018863 BFGS: 3653 15:57:38 0.079037 0.018661 BFGS: 3654 15:57:38 0.077376 0.018458 BFGS: 3655 15:57:38 0.075733 0.018255 BFGS: 3656 15:57:38 0.074108 0.018053 BFGS: 3657 15:57:38 0.072501 0.017851 BFGS: 3658 15:57:38 0.070913 0.017649 BFGS: 3659 15:57:38 0.069342 0.017447 BFGS: 3660 15:57:38 0.067789 0.017246 BFGS: 3661 15:57:38 0.066254 0.017044 BFGS: 3662 15:57:38 0.064738 0.016843 BFGS: 3663 15:57:38 0.063239 0.016642 BFGS: 3664 15:57:38 0.061758 0.016441 BFGS: 3665 15:57:38 0.060295 0.016240 BFGS: 3666 15:57:38 0.058850 0.016040 BFGS: 3667 15:57:38 0.057423 0.015839 BFGS: 3668 15:57:38 0.056013 0.015639 BFGS: 3669 15:57:39 0.054622 0.015439 BFGS: 3670 15:57:39 0.053248 0.015239 BFGS: 3671 15:57:39 0.051892 0.015039 BFGS: 3672 15:57:39 0.050555 0.014840 BFGS: 3673 15:57:39 0.049234 0.014641 BFGS: 3674 15:57:39 0.047932 0.014441 BFGS: 3675 15:57:39 0.046648 0.014242 BFGS: 3676 15:57:39 0.045381 0.014044 BFGS: 3677 15:57:39 0.044132 0.013845 BFGS: 3678 15:57:39 0.042900 0.013646 BFGS: 3679 15:57:39 0.041687 0.013448 BFGS: 3680 15:57:39 0.040491 0.013250 BFGS: 3681 15:57:39 0.039313 0.013052 BFGS: 3682 15:57:39 0.038153 0.012854 BFGS: 3683 15:57:39 0.037010 0.012657 BFGS: 3684 15:57:39 0.035885 0.012459 BFGS: 3685 15:57:39 0.034777 0.012262 BFGS: 3686 15:57:39 0.033687 0.012065 BFGS: 3687 15:57:39 0.032615 0.011868 BFGS: 3688 15:57:39 0.031561 0.011671 BFGS: 3689 15:57:39 0.030524 0.011474 BFGS: 3690 15:57:39 0.029504 0.011278 BFGS: 3691 15:57:39 0.028502 0.011081 BFGS: 3692 15:57:39 0.027518 0.010885 BFGS: 3693 15:57:39 0.026551 0.010689 BFGS: 3694 15:57:39 0.025602 0.010494 BFGS: 3695 15:57:39 0.024670 0.010298 BFGS: 3696 15:57:39 0.023756 0.010103 BFGS: 3697 15:57:39 0.022859 0.009907 BFGS: 3698 15:57:39 0.021980 0.009712 BFGS: 3699 15:57:39 0.021118 0.009517 BFGS: 3700 15:57:39 0.020274 0.009323 BFGS: 3701 15:57:39 0.019447 0.009128 BFGS: 3702 15:57:39 0.018638 0.008933 BFGS: 3703 15:57:39 0.017846 0.008739 BFGS: 3704 15:57:39 0.017071 0.008545 BFGS: 3705 15:57:39 0.016314 0.008351 BFGS: 3706 15:57:39 0.015574 0.008157 BFGS: 3707 15:57:39 0.014851 0.007964 BFGS: 3708 15:57:39 0.014146 0.007770 BFGS: 3709 15:57:39 0.013458 0.007577 BFGS: 3710 15:57:39 0.012787 0.007384 BFGS: 3711 15:57:39 0.012134 0.007191 BFGS: 3712 15:57:39 0.011498 0.006998 BFGS: 3713 15:57:39 0.010879 0.006806 BFGS: 3714 15:57:39 0.010278 0.006613 BFGS: 3715 15:57:39 0.009693 0.006421 BFGS: 3716 15:57:39 0.009127 0.006229 BFGS: 3717 15:57:39 0.008577 0.006037 BFGS: 3718 15:57:39 0.008044 0.005845 BFGS: 3719 15:57:39 0.007529 0.005653 BFGS: 3720 15:57:39 0.007031 0.005462 BFGS: 3721 15:57:39 0.006550 0.005271 BFGS: 3722 15:57:39 0.006086 0.005079 BFGS: 3723 15:57:39 0.005639 0.004888 BFGS: 3724 15:57:39 0.005210 0.004698 BFGS: 3725 15:57:39 0.004797 0.004507 BFGS: 3726 15:57:39 0.004402 0.004316 BFGS: 3727 15:57:39 0.004023 0.004126 BFGS: 3728 15:57:39 0.003662 0.003936 BFGS: 3729 15:57:39 0.003318 0.003746 BFGS: 3730 15:57:39 0.002991 0.003556 BFGS: 3731 15:57:39 0.002681 0.003366 BFGS: 3732 15:57:39 0.002388 0.003177 BFGS: 3733 15:57:39 0.002112 0.002987 BFGS: 3734 15:57:39 0.001853 0.002798 BFGS: 3735 15:57:39 0.001611 0.002609 BFGS: 3736 15:57:39 0.001386 0.002420 BFGS: 3737 15:57:39 0.001178 0.002231 BFGS: 3738 15:57:39 0.000987 0.002043 BFGS: 3739 15:57:39 0.000813 0.001854 BFGS: 3740 15:57:39 0.000656 0.001666 BFGS: 3741 15:57:39 0.000516 0.001478 BFGS: 3742 15:57:39 0.000392 0.001290 BFGS: 3743 15:57:39 0.000286 0.001102 BFGS: 3744 15:57:39 0.000196 0.000914 BFGS: 3745 15:57:39 0.000123 0.000726 BFGS: 3746 15:57:39 0.000067 0.000642 BFGS: 3747 15:57:39 0.000028 0.000580 BFGS: 3748 15:57:39 0.000006 0.000516 BFGS: 3749 15:57:39 0.000000 0.000298 BFGS: 3750 15:57:39 0.000000 0.000197 BFGS: 3751 15:57:39 0.000000 0.000047 BFGS: 3752 15:57:39 0.000000 0.000011 BFGS: 3753 15:57:39 0.000000 0.000004 BFGS: 3754 15:57:39 0.000000 0.000000 Minimization converged after 3754 steps. Maximum force component: 3.04794738202749e-12 eV/Angstrom Maximum stress component: 5.6814784494614065e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 0.00000000e+00 5.15470458e-01] [0.00000000e+00 1.01663372e-16 4.84529542e-01] [6.66666667e-01 3.33333333e-01 8.48803791e-01] [6.66666667e-01 3.33333333e-01 8.17862876e-01] [3.33333333e-01 6.66666667e-01 1.82137124e-01] [3.33333333e-01 6.66666667e-01 1.51196209e-01] [0.00000000e+00 0.00000000e+00 6.75005945e-01] [0.00000000e+00 0.00000000e+00 3.24994055e-01] [6.66666667e-01 3.33333333e-01 8.33927789e-03] [6.66666667e-01 3.33333333e-01 6.58327389e-01] [3.33333333e-01 6.66666667e-01 3.41672611e-01] [3.33333333e-01 6.66666667e-01 9.91660722e-01] [0.00000000e+00 0.00000000e+00 7.05945330e-01] [0.00000000e+00 0.00000000e+00 2.94054670e-01] [6.66666667e-01 3.33333333e-01 3.92786633e-02] [6.66666667e-01 3.33333333e-01 6.27388003e-01] [3.33333333e-01 6.66666667e-01 3.72611997e-01] [3.33333333e-01 6.66666667e-01 9.60721337e-01] [0.00000000e+00 0.00000000e+00 7.70245030e-01] [0.00000000e+00 0.00000000e+00 2.29754970e-01] [6.66666667e-01 3.33333333e-01 1.03578363e-01] [6.66666667e-01 3.33333333e-01 5.63088304e-01] [3.33333333e-01 6.66666667e-01 4.36911696e-01] [3.33333333e-01 6.66666667e-01 8.96421637e-01] [0.00000000e+00 0.00000000e+00 8.01184215e-01] [0.00000000e+00 0.00000000e+00 1.98815785e-01] [6.66666667e-01 3.33333333e-01 1.34517548e-01] [6.66666667e-01 3.33333333e-01 5.32149119e-01] [3.33333333e-01 6.66666667e-01 4.67850881e-01] [3.33333333e-01 6.66666667e-01 8.65482452e-01] [0.00000000e+00 0.00000000e+00 9.13100438e-01] [0.00000000e+00 0.00000000e+00 8.68995621e-02] [6.66666667e-01 3.33333333e-01 2.46433771e-01] [6.66666667e-01 3.33333333e-01 4.20232895e-01] [3.33333333e-01 6.66666667e-01 5.79767105e-01] [3.33333333e-01 6.66666667e-01 7.53566229e-01] [0.00000000e+00 0.00000000e+00 9.44042553e-01] [0.00000000e+00 0.00000000e+00 5.59574474e-02] [6.66666667e-01 3.33333333e-01 2.77375886e-01] [6.66666667e-01 3.33333333e-01 3.89290781e-01] [3.33333333e-01 6.66666667e-01 6.10709219e-01] [3.33333333e-01 6.66666667e-01 7.22624114e-01]] cellpar = Cell([[10.723530195103582, 2.3394327715665264e-16, 9.799132132622636e-15], [-5.361765097551791, 9.286849567209204, -9.713648712116572e-15], [1.274125715341027e-13, -7.48535261960939e-14, 237.56281820439838]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.63471210e-27 9.60375916e-28 -3.04794738e-12] [ 1.63471210e-27 -9.60375916e-28 3.04794738e-12] [-1.63471210e-27 9.60375916e-28 -3.04794738e-12] [ 1.63471210e-27 -9.60375916e-28 3.04794738e-12] [-1.63471210e-27 9.60375916e-28 -3.04794738e-12] [ 1.63471210e-27 -9.60375916e-28 3.04794738e-12] [ 1.63471210e-27 -9.60375916e-28 3.04794738e-12] [-1.63471210e-27 9.60375916e-28 -3.04794738e-12] [ 1.63471210e-27 -9.60375916e-28 3.04794738e-12] [-1.63471210e-27 9.60375916e-28 -3.04794738e-12] [ 1.63471210e-27 -9.60375916e-28 3.04794738e-12] [-1.63471210e-27 9.60375916e-28 -3.04794738e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-2.61814373e-44 -2.49859042e-44 -5.68147845e-15 -1.76498888e-30 3.14763107e-30 9.77832424e-46] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0