element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 17:13:06 -3008.732234 29.512901 BFGS: 1 17:13:08 -3030.038278 29.409291 BFGS: 2 17:13:09 -3042.986248 29.325831 BFGS: 3 17:13:12 -3051.934802 29.252543 BFGS: 4 17:13:14 -3058.574441 29.185383 BFGS: 5 17:13:18 -3063.726409 29.122312 BFGS: 6 17:13:19 -3067.846853 29.062175 BFGS: 7 17:13:22 -3071.217209 29.004224 BFGS: 8 17:13:23 -3074.019435 28.947975 BFGS: 9 17:13:24 -3076.380379 28.893075 BFGS: 10 17:13:26 -3078.392693 28.839270 BFGS: 11 17:13:29 -3080.123290 28.786367 BFGS: 12 17:13:32 -3081.627251 28.734200 BFGS: 13 17:13:33 -3082.947978 28.682641 BFGS: 14 17:13:37 -3084.118688 28.631594 BFGS: 15 17:13:40 -3085.171358 28.580951 BFGS: 16 17:13:42 -3086.131947 28.530636 BFGS: 17 17:13:42 -3087.023345 28.480569 BFGS: 18 17:13:44 -3087.866370 28.430690 BFGS: 19 17:13:44 -3088.679983 28.380927 BFGS: 20 17:13:45 -3089.478729 28.331245 BFGS: 21 17:13:46 -3090.277100 28.281588 BFGS: 22 17:13:48 -3091.083725 28.231933 BFGS: 23 17:13:50 -3091.903394 28.182267 BFGS: 24 17:13:50 -3092.736226 28.132595 BFGS: 25 17:13:51 -3093.578297 28.082942 BFGS: 26 17:13:52 -3094.427748 28.033313 BFGS: 27 17:13:53 -3095.284961 27.983706 BFGS: 28 17:13:53 -3096.116249 27.934582 BFGS: 29 17:13:54 -3097.053401 27.884129 BFGS: 30 17:13:55 -3097.933200 27.834605 BFGS: 31 17:13:57 -3098.753045 27.786018 BFGS: 32 17:13:59 -3099.644798 27.736568 BFGS: 33 17:14:00 -3100.476173 27.688059 BFGS: 34 17:14:02 -3101.380354 27.638679 BFGS: 35 17:14:03 -3102.288768 27.589347 BFGS: 36 17:14:05 -3103.202055 27.540063 BFGS: 37 17:14:07 -3104.119234 27.490829 BFGS: 38 17:14:08 -3105.039954 27.441650 BFGS: 39 17:14:10 -3105.962793 27.392533 BFGS: 40 17:14:11 -3106.889465 27.343469 BFGS: 41 17:14:13 -3107.817389 27.294474 BFGS: 42 17:14:14 -3108.713599 27.245995 BFGS: 43 17:14:15 -3109.644273 27.197134 BFGS: 44 17:14:17 -3110.575314 27.148345 BFGS: 45 17:14:18 -3111.505952 27.099634 BFGS: 46 17:14:20 -3112.435973 27.051000 BFGS: 47 17:14:24 -3113.364767 27.002449 BFGS: 48 17:14:26 -3114.291877 26.953979 BFGS: 49 17:14:27 -3115.216650 26.905596 BFGS: 50 17:14:30 -3116.137226 26.857312 BFGS: 51 17:14:34 -3117.055076 26.809113 BFGS: 52 17:14:36 -3117.968744 26.761012 BFGS: 53 17:14:37 -3118.876287 26.713014 BFGS: 54 17:14:41 -3119.779000 26.665115 BFGS: 55 17:14:43 -3120.608667 26.618220 BFGS: 56 17:14:45 -3121.497921 26.570531 BFGS: 57 17:14:48 -3122.379445 26.522953 BFGS: 58 17:14:50 -3123.253104 26.475488 BFGS: 59 17:14:52 -3124.051050 26.429035 BFGS: 60 17:14:55 -3124.908399 26.381789 BFGS: 61 17:14:56 -3125.753837 26.334676 BFGS: 62 17:14:59 -3126.589769 26.287677 BFGS: 63 17:15:00 -3127.414002 26.240803 BFGS: 64 17:15:04 -3128.226308 26.194059 BFGS: 65 17:15:09 -3129.026651 26.147441 BFGS: 66 17:15:14 -3129.747513 26.101843 BFGS: 67 17:15:18 -3130.520557 26.055489 BFGS: 68 17:15:22 -3131.213347 26.010160 BFGS: 69 17:15:28 -3131.958047 25.964070 BFGS: 70 17:15:31 -3132.687052 25.918125 BFGS: 71 17:15:38 -3133.401246 25.872313 BFGS: 72 17:15:42 -3134.099508 25.826637 BFGS: 73 17:15:49 -3134.781024 25.781108 BFGS: 74 17:15:52 -3135.446129 25.735717 BFGS: 75 17:15:54 -3136.093842 25.690469 BFGS: 76 17:15:57 -3136.724015 25.645364 BFGS: 77 17:16:01 -3137.336270 25.600404 BFGS: 78 17:16:06 -3137.930526 25.555587 BFGS: 79 17:16:12 -3138.506202 25.510913 BFGS: 80 17:16:15 -3139.062220 25.466391 BFGS: 81 17:16:17 -3139.599619 25.422012 BFGS: 82 17:16:18 -3140.117906 25.377779 BFGS: 83 17:16:20 -3140.616485 25.333692 BFGS: 84 17:16:21 -3141.028984 25.290632 BFGS: 85 17:16:29 -3141.421298 25.247722 BFGS: 86 17:16:32 -3141.859177 25.204076 BFGS: 87 17:16:36 -3142.244812 25.161009 BFGS: 88 17:16:38 -3142.641843 25.117656 BFGS: 89 17:16:41 -3143.019772 25.074436 BFGS: 90 17:16:46 -3143.375525 25.031373 BFGS: 91 17:16:51 -3143.711927 24.988448 BFGS: 92 17:16:54 -3144.026656 24.945670 BFGS: 93 17:16:56 -3144.321419 24.903033 BFGS: 94 17:16:59 -3144.594742 24.860540 BFGS: 95 17:17:01 -3144.847866 24.818189 BFGS: 96 17:17:02 -3145.079542 24.775982 BFGS: 97 17:17:07 -3145.291190 24.733911 BFGS: 98 17:17:09 -3145.481423 24.691984 BFGS: 99 17:17:14 -3145.651726 24.650193 BFGS: 100 17:17:15 -3145.800712 24.608543 BFGS: 101 17:17:20 -3145.929318 24.567029 BFGS: 102 17:17:22 -3146.037918 24.525649 BFGS: 103 17:17:24 -3146.125396 24.484410 BFGS: 104 17:17:29 -3146.193409 24.443298 BFGS: 105 17:17:31 -3146.240649 24.402325 BFGS: 106 17:17:31 -3146.285198 24.361264 BFGS: 107 17:17:34 -3146.292586 24.320554 BFGS: 108 17:17:37 -3146.280670 24.279974 BFGS: 109 17:17:38 -3146.249811 24.239518 BFGS: 110 17:17:41 -3146.199351 24.199190 BFGS: 111 17:17:44 -3146.129535 24.158992 BFGS: 112 17:17:46 -3146.039933 24.118922 BFGS: 113 17:17:48 -3145.932439 24.078970 BFGS: 114 17:17:51 -3145.805723 24.039147 BFGS: 115 17:17:53 -3145.660911 23.999440 BFGS: 116 17:17:55 -3145.497403 23.959859 BFGS: 117 17:17:56 -3145.316059 23.920397 BFGS: 118 17:17:57 -3145.116145 23.881055 BFGS: 119 17:17:58 -3144.898817 23.841829 BFGS: 120 17:18:00 -3144.663787 23.802722 BFGS: 121 17:18:02 -3144.411866 23.763727 BFGS: 122 17:18:03 -3144.141996 23.724851 BFGS: 123 17:18:04 -3143.855852 23.686086 BFGS: 124 17:18:05 -3143.553200 23.647429 BFGS: 125 17:18:07 -3143.233734 23.608887 BFGS: 126 17:18:12 -3142.897988 23.570455 BFGS: 127 17:18:15 -3142.545395 23.532136 BFGS: 128 17:18:19 -3142.177775 23.493919 BFGS: 129 17:18:23 -3141.793877 23.455812 BFGS: 130 17:18:25 -3141.395271 23.417810 BFGS: 131 17:18:26 -3140.980322 23.379917 BFGS: 132 17:18:28 -3140.551466 23.342122 BFGS: 133 17:18:28 -3140.106508 23.304437 BFGS: 134 17:18:30 -3139.647976 23.266847 BFGS: 135 17:18:34 -3139.174152 23.229365 BFGS: 136 17:18:38 -3138.687031 23.191978 BFGS: 137 17:18:43 -3138.184901 23.154693 BFGS: 138 17:18:45 -3137.669452 23.117505 BFGS: 139 17:18:46 -3137.139731 23.080419 BFGS: 140 17:18:47 -3136.597360 23.043424 BFGS: 141 17:18:47 -3136.041155 23.006530 BFGS: 142 17:18:51 -3135.472009 22.969727 BFGS: 143 17:18:55 -3134.890475 22.933018 BFGS: 144 17:18:56 -3134.295005 22.896409 BFGS: 145 17:18:58 -3133.688003 22.859887 BFGS: 146 17:18:58 -3133.068246 22.823458 BFGS: 147 17:19:01 -3132.436420 22.787121 BFGS: 148 17:19:01 -3131.792634 22.750875 BFGS: 149 17:19:01 -3131.137047 22.714718 BFGS: 150 17:19:02 -3130.469250 22.678654 BFGS: 151 17:19:03 -3129.725114 22.643525 BFGS: 152 17:19:05 -3128.752398 22.611269 BFGS: 153 17:19:06 -3128.051067 22.575457 BFGS: 154 17:19:08 -3127.337560 22.539737 BFGS: 155 17:19:10 -3126.613700 22.504102 BFGS: 156 17:19:10 -3125.879383 22.468551 BFGS: 157 17:19:13 -3125.134770 22.433082 BFGS: 158 17:19:14 -3124.379683 22.397700 BFGS: 159 17:19:15 -3123.548664 22.363250 BFGS: 160 17:19:16 -3122.772531 22.328033 BFGS: 161 17:19:17 -3121.986316 22.292901 BFGS: 162 17:19:19 -3121.190941 22.257848 BFGS: 163 17:19:22 -3120.368823 22.223091 BFGS: 164 17:19:24 -3119.554210 22.188199 BFGS: 165 17:19:26 -3118.730425 22.153387 BFGS: 166 17:19:27 -3117.896939 22.118657 BFGS: 167 17:19:28 -3117.054496 22.084006 BFGS: 168 17:19:30 -3116.203241 22.049433 BFGS: 169 17:19:33 -3115.343180 22.014938 BFGS: 170 17:19:34 -3114.474316 21.980521 BFGS: 171 17:19:34 -3113.563587 21.946603 BFGS: 172 17:19:35 -3112.677889 21.912338 BFGS: 173 17:19:36 -3111.783624 21.878150 BFGS: 174 17:19:37 -3110.882087 21.844033 BFGS: 175 17:19:41 -3109.971054 21.810000 BFGS: 176 17:19:44 -3109.052463 21.776038 BFGS: 177 17:19:47 -3108.125881 21.742151 BFGS: 178 17:19:51 -3107.192050 21.708335 BFGS: 179 17:19:53 -3106.250038 21.674597 BFGS: 180 17:19:54 -3105.234277 21.641774 BFGS: 181 17:19:55 -3104.276880 21.608188 BFGS: 182 17:19:58 -3103.313739 21.574663 BFGS: 183 17:20:00 -3102.341713 21.541218 BFGS: 184 17:20:02 -3101.362965 21.507840 BFGS: 185 17:20:05 -3100.376804 21.474538 BFGS: 186 17:20:06 -3099.384781 21.441298 BFGS: 187 17:20:08 -3098.383583 21.408143 BFGS: 188 17:20:09 -3097.377355 21.375046 BFGS: 189 17:20:12 -3096.363700 21.342025 BFGS: 190 17:20:13 -3095.343286 21.309076 BFGS: 191 17:20:16 -3094.315765 21.276197 BFGS: 192 17:20:18 -3093.282637 21.243384 BFGS: 193 17:20:18 -3092.242401 21.210643 BFGS: 194 17:20:19 -3091.195712 21.177972 BFGS: 195 17:20:20 -3090.142588 21.145370 BFGS: 196 17:20:22 -3089.084037 21.112832 BFGS: 197 17:20:23 -3088.018036 21.080369 BFGS: 198 17:20:24 -3086.946674 21.047972 BFGS: 199 17:20:26 -3085.869069 21.015642 BFGS: 200 17:20:27 -3084.785787 20.983378 BFGS: 201 17:20:29 -3083.696016 20.951184 BFGS: 202 17:20:29 -3082.600987 20.919057 BFGS: 203 17:20:30 -3081.499509 20.886997 BFGS: 204 17:20:33 -3080.393114 20.855001 BFGS: 205 17:20:34 -3079.280647 20.823072 BFGS: 206 17:20:34 -3078.162520 20.791212 BFGS: 207 17:20:35 -3077.038740 20.759417 BFGS: 208 17:20:36 -3075.910200 20.727685 BFGS: 209 17:20:39 -3074.774982 20.696024 BFGS: 210 17:20:40 -3073.635690 20.664421 BFGS: 211 17:20:40 -3072.489647 20.632895 BFGS: 212 17:20:42 -3071.339479 20.601422 BFGS: 213 17:20:44 -3070.183892 20.570019 BFGS: 214 17:20:44 -3068.990432 20.539091 BFGS: 215 17:20:45 -3067.823957 20.507818 BFGS: 216 17:20:46 -3066.653449 20.476604 BFGS: 217 17:20:46 -3065.477106 20.445458 BFGS: 218 17:20:46 -3064.296521 20.414373 BFGS: 219 17:20:47 -3063.110470 20.383354 BFGS: 220 17:20:47 -3061.920493 20.352393 BFGS: 221 17:20:47 -3060.723899 20.321506 BFGS: 222 17:20:47 -3059.524652 20.290670 BFGS: 223 17:20:47 -3058.319050 20.259906 BFGS: 224 17:20:48 -3057.109872 20.229199 BFGS: 225 17:20:49 -3055.895652 20.198555 BFGS: 226 17:20:49 -3054.676995 20.167974 BFGS: 227 17:20:50 -3053.453935 20.137456 BFGS: 228 17:20:50 -3052.225475 20.107003 BFGS: 229 17:20:51 -3050.993515 20.076605 BFGS: 230 17:20:53 -3049.756889 20.046274 BFGS: 231 17:20:54 -3048.515313 20.016005 BFGS: 232 17:20:54 -3047.270942 19.985789 BFGS: 233 17:20:55 -3046.020403 19.955644 BFGS: 234 17:20:56 -3044.767094 19.925554 BFGS: 235 17:20:58 -3043.508416 19.895529 BFGS: 236 17:20:59 -3042.246312 19.865562 BFGS: 237 17:21:01 -3040.980232 19.835653 BFGS: 238 17:21:01 -3039.709157 19.805810 BFGS: 239 17:21:02 -3038.435116 19.776022 BFGS: 240 17:21:03 -3037.122944 19.746707 BFGS: 241 17:21:04 -3035.840295 19.717041 BFGS: 242 17:21:05 -3034.553740 19.687434 BFGS: 243 17:21:05 -3033.263112 19.657887 BFGS: 244 17:21:06 -3031.969479 19.628396 BFGS: 245 17:21:06 -3030.670369 19.598971 BFGS: 246 17:21:06 -3029.369241 19.569596 BFGS: 247 17:21:07 -3028.062594 19.540291 BFGS: 248 17:21:07 -3026.753111 19.511038 BFGS: 249 17:21:08 -3025.439665 19.481845 BFGS: 250 17:21:08 -3024.122606 19.452712 BFGS: 251 17:21:09 -3022.802250 19.423634 BFGS: 252 17:21:10 -3021.477176 19.394619 BFGS: 253 17:21:10 -3020.150025 19.365657 BFGS: 254 17:21:10 -3018.817576 19.336759 BFGS: 255 17:21:10 -3017.482566 19.307914 BFGS: 256 17:21:10 -3016.143691 19.279131 BFGS: 257 17:21:10 -3014.801391 19.250402 BFGS: 258 17:21:11 -3013.455617 19.221732 BFGS: 259 17:21:11 -3012.106105 19.193121 BFGS: 260 17:21:11 -3010.754125 19.164562 BFGS: 261 17:21:11 -3009.397344 19.136067 BFGS: 262 17:21:11 -3008.038457 19.107624 BFGS: 263 17:21:11 -3006.675551 19.079238 BFGS: 264 17:21:12 -3005.309420 19.050911 BFGS: 265 17:21:12 -3003.940229 19.022639 BFGS: 266 17:21:12 -3002.567072 18.994427 BFGS: 267 17:21:12 -3001.192267 18.966262 BFGS: 268 17:21:12 -2999.812287 18.938164 BFGS: 269 17:21:13 -2998.430661 18.910115 BFGS: 270 17:21:13 -2997.044774 18.882126 BFGS: 271 17:21:14 -2995.656677 18.854189 BFGS: 272 17:21:15 -2994.264504 18.826311 BFGS: 273 17:21:15 -2992.869924 18.798488 BFGS: 274 17:21:15 -2991.472270 18.770718 BFGS: 275 17:21:16 -2990.071291 18.743006 BFGS: 276 17:21:16 -2988.667541 18.715346 BFGS: 277 17:21:16 -2987.260550 18.687743 BFGS: 278 17:21:17 -2985.850820 18.660195 BFGS: 279 17:21:17 -2984.437810 18.632702 BFGS: 280 17:21:19 -2983.022243 18.605263 BFGS: 281 17:21:21 -2981.537833 18.578678 BFGS: 282 17:21:23 -2980.115765 18.551350 BFGS: 283 17:21:24 -2978.692267 18.524066 BFGS: 284 17:21:29 -2977.264713 18.496844 BFGS: 285 17:21:34 -2975.835072 18.469674 BFGS: 286 17:21:35 -2974.401980 18.442561 BFGS: 287 17:21:36 -2972.900470 18.416298 BFGS: 288 17:21:36 -2971.462382 18.389293 BFGS: 289 17:21:37 -2970.021207 18.362339 BFGS: 290 17:21:38 -2968.577626 18.335437 BFGS: 291 17:21:39 -2967.130959 18.308590 BFGS: 292 17:21:41 -2965.682114 18.281794 BFGS: 293 17:21:42 -2964.230418 18.255050 BFGS: 294 17:21:42 -2962.775789 18.228363 BFGS: 295 17:21:43 -2961.319065 18.201724 BFGS: 296 17:21:45 -2959.859537 18.175139 BFGS: 297 17:21:46 -2958.397520 18.148608 BFGS: 298 17:21:47 -2956.932606 18.122128 BFGS: 299 17:21:49 -2955.465767 18.095700 BFGS: 300 17:21:50 -2953.995456 18.069328 BFGS: 301 17:21:51 -2952.524342 18.042998 BFGS: 302 17:21:52 -2951.048925 18.016731 BFGS: 303 17:21:53 -2949.572182 17.990510 BFGS: 304 17:21:56 -2948.026462 17.965136 BFGS: 305 17:22:00 -2946.544961 17.939019 BFGS: 306 17:22:01 -2945.060907 17.912953 BFGS: 307 17:22:02 -2943.574230 17.886939 BFGS: 308 17:22:04 -2942.085485 17.860974 BFGS: 309 17:22:06 -2940.594287 17.835060 BFGS: 310 17:22:07 -2939.035055 17.809987 BFGS: 311 17:22:08 -2937.538987 17.784173 BFGS: 312 17:22:09 -2936.041008 17.758408 BFGS: 313 17:22:10 -2934.540907 17.732696 BFGS: 314 17:22:11 -2933.038031 17.707035 BFGS: 315 17:22:12 -2931.533506 17.681422 BFGS: 316 17:22:13 -2930.025908 17.655864 BFGS: 317 17:22:14 -2928.451705 17.631136 BFGS: 318 17:22:15 -2926.939658 17.605674 BFGS: 319 17:22:19 -2925.427256 17.580254 BFGS: 320 17:22:20 -2923.910879 17.554895 BFGS: 321 17:22:21 -2922.393707 17.529578 BFGS: 322 17:22:23 -2920.873408 17.504316 BFGS: 323 17:22:24 -2919.319002 17.479492 BFGS: 324 17:22:25 -2917.794858 17.454323 BFGS: 325 17:22:25 -2916.268800 17.429205 BFGS: 326 17:22:26 -2914.740635 17.404136 BFGS: 327 17:22:27 -2913.210264 17.379118 BFGS: 328 17:22:28 -2911.612483 17.354928 BFGS: 329 17:22:30 -2910.077556 17.330013 BFGS: 330 17:22:31 -2908.541204 17.305140 BFGS: 331 17:22:32 -2907.002621 17.280319 BFGS: 332 17:22:34 -2905.462478 17.255542 BFGS: 333 17:22:35 -2903.920070 17.230816 BFGS: 334 17:22:36 -2902.375881 17.206138 BFGS: 335 17:22:40 -2900.830204 17.181504 BFGS: 336 17:22:41 -2899.281790 17.156923 BFGS: 337 17:22:41 -2897.732217 17.132386 BFGS: 338 17:22:42 -2896.180259 17.107900 BFGS: 339 17:22:43 -2894.626922 17.083459 BFGS: 340 17:22:45 -2893.071478 17.059065 BFGS: 341 17:22:46 -2891.514336 17.034720 BFGS: 342 17:22:47 -2889.955435 17.010421 BFGS: 343 17:22:47 -2888.394664 16.986170 BFGS: 344 17:22:47 -2886.832522 16.961962 BFGS: 345 17:22:48 -2885.267942 16.937806 BFGS: 346 17:22:49 -2883.702789 16.913690 BFGS: 347 17:22:50 -2882.134539 16.889629 BFGS: 348 17:22:53 -2880.565599 16.865608 BFGS: 349 17:22:54 -2878.994109 16.841638 BFGS: 350 17:22:55 -2877.422029 16.817708 BFGS: 351 17:22:57 -2875.847011 16.793833 BFGS: 352 17:22:58 -2874.271633 16.769994 BFGS: 353 17:23:00 -2872.693875 16.746207 BFGS: 354 17:23:01 -2871.114841 16.722463 BFGS: 355 17:23:02 -2869.468337 16.699538 BFGS: 356 17:23:03 -2867.885660 16.675892 BFGS: 357 17:23:04 -2866.301598 16.652289 BFGS: 358 17:23:05 -2864.683308 16.629112 BFGS: 359 17:23:06 -2863.095809 16.605599 BFGS: 360 17:23:07 -2861.507409 16.582126 BFGS: 361 17:23:08 -2859.916897 16.558702 BFGS: 362 17:23:08 -2858.325541 16.535318 BFGS: 363 17:23:09 -2856.731858 16.511986 BFGS: 364 17:23:10 -2855.138110 16.488688 BFGS: 365 17:23:10 -2853.541410 16.465445 BFGS: 366 17:23:11 -2851.944562 16.442238 BFGS: 367 17:23:11 -2850.344696 16.419084 BFGS: 368 17:23:11 -2848.745084 16.395966 BFGS: 369 17:23:12 -2847.142751 16.372898 BFGS: 370 17:23:16 -2845.540179 16.349867 BFGS: 371 17:23:19 -2843.935260 16.326888 BFGS: 372 17:23:22 -2842.329946 16.303944 BFGS: 373 17:23:24 -2840.722413 16.281051 BFGS: 374 17:23:25 -2839.113729 16.258198 BFGS: 375 17:23:26 -2837.504423 16.235387 BFGS: 376 17:23:26 -2835.893092 16.212621 BFGS: 377 17:23:27 -2834.280919 16.189898 BFGS: 378 17:23:29 -2832.666342 16.167220 BFGS: 379 17:23:29 -2831.052118 16.144581 BFGS: 380 17:23:30 -2829.435725 16.121987 BFGS: 381 17:23:32 -2827.818219 16.099437 BFGS: 382 17:23:33 -2826.199334 16.076928 BFGS: 383 17:23:34 -2824.513809 16.055222 BFGS: 384 17:23:34 -2822.893403 16.032797 BFGS: 385 17:23:35 -2821.205139 16.011178 BFGS: 386 17:23:36 -2819.582638 15.988837 BFGS: 387 17:23:36 -2817.957871 15.966542 BFGS: 388 17:23:37 -2816.333243 15.944281 BFGS: 389 17:23:38 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17:53:05 -1387.764867 0.001164 BFGS: 4395 17:53:06 -1387.759474 0.001155 BFGS: 4396 17:53:06 -1387.534659 0.000803 BFGS: 4397 17:53:07 -1387.317519 0.046433 BFGS: 4398 17:53:08 -1387.538453 0.046122 BFGS: 4399 17:53:09 -1387.755645 0.001150 BFGS: 4400 17:53:09 -1387.750182 0.001141 BFGS: 4401 17:53:10 -1387.532990 0.046129 BFGS: 4402 17:53:10 -1387.744750 0.001132 BFGS: 4403 17:53:11 -1387.739494 0.001124 BFGS: 4404 17:53:12 -1387.522305 0.046144 BFGS: 4405 17:53:13 -1387.734140 0.001116 BFGS: 4406 17:53:13 -1387.728970 0.001108 BFGS: 4407 17:53:15 -1387.511787 0.046159 BFGS: 4408 17:53:16 -1387.723699 0.001099 BFGS: 4409 17:53:16 -1387.718587 0.001091 BFGS: 4410 17:53:17 -1387.501414 0.046174 BFGS: 4411 17:53:17 -1387.713399 0.001083 BFGS: 4412 17:53:18 -1387.708354 0.001075 BFGS: 4413 17:53:19 -1387.491191 0.046188 BFGS: 4414 17:53:19 -1387.703239 0.001067 BFGS: 4415 17:53:20 -1387.698283 0.001060 BFGS: 4416 17:53:20 -1387.481119 0.046202 BFGS: 4417 17:53:21 -1387.693234 0.001052 BFGS: 4418 17:53:21 -1387.688343 0.001044 BFGS: 4419 17:53:21 -1387.471191 0.046216 BFGS: 4420 17:53:23 -1387.683376 0.001036 BFGS: 4421 17:53:23 -1387.678560 0.001029 BFGS: 4422 17:53:23 -1387.461409 0.046230 BFGS: 4423 17:53:24 -1387.673662 0.001021 BFGS: 4424 17:53:24 -1387.668915 0.001014 BFGS: 4425 17:53:25 -1387.451768 0.046244 BFGS: 4426 17:53:26 -1387.664089 0.001006 BFGS: 4427 17:53:28 -1387.659402 0.000999 BFGS: 4428 17:53:31 -1387.442264 0.046257 BFGS: 4429 17:53:32 -1387.654652 0.000991 BFGS: 4430 17:53:33 -1387.650037 0.000984 BFGS: 4431 17:53:34 -1387.432909 0.046270 BFGS: 4432 17:53:36 -1387.645349 0.000977 BFGS: 4433 17:53:37 -1387.640800 0.000970 BFGS: 4434 17:53:37 -1387.423675 0.046283 BFGS: 4435 17:53:38 -1387.636191 0.000962 BFGS: 4436 17:53:41 -1387.631704 0.000955 BFGS: 4437 17:53:42 -1387.414583 0.046296 BFGS: 4438 17:53:42 -1387.627157 0.000948 BFGS: 4439 17:53:43 -1387.622736 0.000941 BFGS: 4440 17:53:43 -1387.405617 0.046309 BFGS: 4441 17:53:44 -1387.618264 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17:54:36 -1387.702560 0.001066 BFGS: 4490 17:54:36 -1387.697601 0.001059 BFGS: 4491 17:54:37 -1387.480445 0.046203 BFGS: 4492 17:54:38 -1387.692559 0.001051 BFGS: 4493 17:54:38 -1387.687673 0.001043 BFGS: 4494 17:54:39 -1387.470528 0.046217 BFGS: 4495 17:54:39 -1387.682715 0.001035 BFGS: 4496 17:54:40 -1387.677898 0.001028 BFGS: 4497 17:54:41 -1387.460751 0.046231 BFGS: 4498 17:54:42 -1387.673010 0.001020 BFGS: 4499 17:54:42 -1387.668258 0.001013 BFGS: 4500 17:54:43 -1387.451115 0.046244 BFGS: 4501 17:54:44 -1387.663445 0.001005 BFGS: 4502 17:54:45 -1387.658761 0.000998 BFGS: 4503 17:54:46 -1387.441622 0.046258 BFGS: 4504 17:54:46 -1387.654014 0.000990 BFGS: 4505 17:54:47 -1387.649398 0.000983 BFGS: 4506 17:54:47 -1387.432277 0.046271 BFGS: 4507 17:54:48 -1387.644730 0.000976 BFGS: 4508 17:54:48 -1387.640173 0.000969 BFGS: 4509 17:54:49 -1387.423051 0.046284 BFGS: 4510 17:54:49 -1387.635569 0.000961 BFGS: 4511 17:54:50 -1387.631089 0.000954 BFGS: 4512 17:54:50 -1387.413972 0.046297 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17:55:39 -1387.645479 0.000977 BFGS: 4585 17:55:39 -1387.640929 0.000970 BFGS: 4586 17:55:40 -1387.423797 0.046283 BFGS: 4587 17:55:41 -1387.636306 0.000963 BFGS: 4588 17:55:42 -1387.631825 0.000956 BFGS: 4589 17:55:42 -1387.407079 0.000603 BFGS: 4590 17:55:43 -1387.189941 0.046611 BFGS: 4591 17:55:44 -1387.411826 0.046300 BFGS: 4592 17:55:44 -1387.628948 0.000951 BFGS: 4593 17:55:45 -1387.624425 0.000944 BFGS: 4594 17:55:45 -1387.407312 0.046306 BFGS: 4595 17:55:46 -1387.619926 0.000937 BFGS: 4596 17:55:46 -1387.615564 0.000930 BFGS: 4597 17:55:47 -1387.398449 0.046319 BFGS: 4598 17:55:47 -1387.611140 0.000923 BFGS: 4599 17:55:47 -1387.606829 0.000916 BFGS: 4600 17:55:48 -1387.389709 0.046331 BFGS: 4601 17:55:48 -1387.602472 0.000910 BFGS: 4602 17:55:49 -1387.598229 0.000903 BFGS: 4603 17:55:49 -1387.381114 0.046343 BFGS: 4604 17:55:50 -1387.593933 0.000896 BFGS: 4605 17:55:50 -1387.589751 0.000890 BFGS: 4606 17:55:51 -1387.372626 0.046355 BFGS: 4607 17:55:52 -1387.585516 0.000883 BFGS: 4608 17:55:53 -1387.581394 0.000877 BFGS: 4609 17:55:54 -1387.364273 0.046367 BFGS: 4610 17:55:55 -1387.577225 0.000870 BFGS: 4611 17:55:56 -1387.573155 0.000864 BFGS: 4612 17:55:56 -1387.356036 0.046378 BFGS: 4613 17:55:57 -1387.569046 0.000857 BFGS: 4614 17:55:58 -1387.572663 0.046073 BFGS: 4615 17:56:00 -1387.568980 0.000857 BFGS: 4616 17:56:01 -1387.568907 0.000857 BFGS: 4617 17:56:01 -1387.351790 0.046384 BFGS: 4618 17:56:02 -1387.572449 0.046074 BFGS: 4619 17:56:03 -1387.789657 0.001203 BFGS: 4620 17:56:03 -1387.783939 0.001194 BFGS: 4621 17:56:04 -1387.566708 0.046082 BFGS: 4622 17:56:05 -1387.778260 0.001185 BFGS: 4623 17:56:05 -1387.772762 0.001176 BFGS: 4624 17:56:05 -1387.555554 0.046098 BFGS: 4625 17:56:06 -1387.767170 0.001168 BFGS: 4626 17:56:06 -1387.761750 0.001159 BFGS: 4627 17:56:06 -1387.544556 0.046113 BFGS: 4628 17:56:07 -1387.756234 0.001150 BFGS: 4629 17:56:08 -1387.750895 0.001142 BFGS: 4630 17:56:09 -1387.533707 0.046128 BFGS: 4631 17:56:09 -1387.745473 0.001134 BFGS: 4632 17:56:10 -1387.740202 0.001125 BFGS: 4633 17:56:10 -1387.523020 0.046143 BFGS: 4634 17:56:11 -1387.734842 0.001117 BFGS: 4635 17:56:11 -1387.729666 0.001109 BFGS: 4636 17:56:11 -1387.512482 0.046158 BFGS: 4637 17:56:12 -1387.724387 0.001101 BFGS: 4638 17:56:13 -1387.719267 0.001093 BFGS: 4639 17:56:13 -1387.502099 0.046173 BFGS: 4640 17:56:13 -1387.714079 0.001084 BFGS: 4641 17:56:14 -1387.709036 0.001076 BFGS: 4642 17:56:14 -1387.491874 0.046187 BFGS: 4643 17:56:15 -1387.703917 0.001068 BFGS: 4644 17:56:15 -1387.698944 0.001061 BFGS: 4645 17:56:15 -1387.474168 0.000709 BFGS: 4646 17:56:16 -1387.257032 0.046517 BFGS: 4647 17:56:16 -1387.478418 0.046206 BFGS: 4648 17:56:16 -1387.695571 0.001055 BFGS: 4649 17:56:16 -1387.690552 0.001048 BFGS: 4650 17:56:17 -1387.473393 0.046213 BFGS: 4651 17:56:17 -1387.685567 0.001040 BFGS: 4652 17:56:17 -1387.680738 0.001032 BFGS: 4653 17:56:17 -1387.463587 0.046227 BFGS: 4654 17:56:17 -1387.675824 0.001024 BFGS: 4655 17:56:17 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18:00:06 -1387.600126 0.000906 BFGS: 5060 18:00:07 -1387.595907 0.000899 BFGS: 5061 18:00:08 -1387.378784 0.046346 BFGS: 5062 18:00:08 -1387.591618 0.000893 BFGS: 5063 18:00:10 -1387.587457 0.000886 BFGS: 5064 18:00:11 -1387.370333 0.046358 BFGS: 5065 18:00:11 -1387.583243 0.000879 BFGS: 5066 18:00:12 -1387.579130 0.000873 BFGS: 5067 18:00:13 -1387.362015 0.046370 BFGS: 5068 18:00:14 -1387.574986 0.000866 BFGS: 5069 18:00:15 -1387.570934 0.000860 BFGS: 5070 18:00:17 -1387.353808 0.046381 BFGS: 5071 18:00:19 -1387.566841 0.000854 BFGS: 5072 18:00:20 -1387.570474 0.046076 BFGS: 5073 18:00:21 -1387.566766 0.000854 BFGS: 5074 18:00:22 -1387.566694 0.000854 BFGS: 5075 18:00:23 -1387.341948 0.000502 BFGS: 5076 18:00:23 -1387.124866 0.046703 BFGS: 5077 18:00:24 -1387.347186 0.046391 BFGS: 5078 18:00:25 -1387.571924 0.046074 BFGS: 5079 18:00:26 -1387.789138 0.001202 BFGS: 5080 18:00:28 -1387.783415 0.001193 BFGS: 5081 18:00:28 -1387.566210 0.046082 BFGS: 5082 18:00:30 -1387.777746 0.001184 BFGS: 5083 18:00:31 -1387.772255 0.001176 BFGS: 5084 18:00:31 -1387.547434 0.000824 BFGS: 5085 18:00:32 -1387.330309 0.046414 BFGS: 5086 18:00:32 -1387.543509 0.000817 BFGS: 5087 18:00:33 -1387.547309 0.046109 BFGS: 5088 18:00:33 -1387.551063 0.046104 BFGS: 5089 18:00:34 -1387.768268 0.001169 BFGS: 5090 18:00:35 -1387.762706 0.001161 BFGS: 5091 18:00:36 -1387.545500 0.046111 BFGS: 5092 18:00:36 -1387.757184 0.001152 BFGS: 5093 18:00:37 -1387.751841 0.001144 BFGS: 5094 18:00:37 -1387.534642 0.046127 BFGS: 5095 18:00:38 -1387.746397 0.001135 BFGS: 5096 18:00:38 -1387.741126 0.001127 BFGS: 5097 18:00:39 -1387.523939 0.046142 BFGS: 5098 18:00:40 -1387.735768 0.001118 BFGS: 5099 18:00:40 -1387.730575 0.001110 BFGS: 5100 18:00:41 -1387.513393 0.046157 BFGS: 5101 18:00:42 -1387.725292 0.001102 BFGS: 5102 18:00:42 -1387.720174 0.001094 BFGS: 5103 18:00:43 -1387.502999 0.046171 BFGS: 5104 18:00:44 -1387.714967 0.001086 BFGS: 5105 18:00:44 -1387.709920 0.001078 BFGS: 5106 18:00:45 -1387.492757 0.046186 BFGS: 5107 18:00:46 -1387.704796 0.001070 BFGS: 5108 18:00:46 -1387.699821 0.001062 BFGS: 5109 18:00:47 -1387.482662 0.046200 BFGS: 5110 18:00:47 -1387.694771 0.001054 BFGS: 5111 18:00:48 -1387.689866 0.001046 BFGS: 5112 18:00:49 -1387.472704 0.046214 BFGS: 5113 18:00:49 -1387.684884 0.001039 BFGS: 5114 18:00:50 -1387.680058 0.001031 BFGS: 5115 18:00:50 -1387.462905 0.046228 BFGS: 5116 18:00:51 -1387.675149 0.001023 BFGS: 5117 18:00:51 -1387.670386 0.001016 BFGS: 5118 18:00:52 -1387.453240 0.046241 BFGS: 5119 18:00:52 -1387.665553 0.001008 BFGS: 5120 18:00:53 -1387.660855 0.001001 BFGS: 5121 18:00:53 -1387.443721 0.046255 BFGS: 5122 18:00:54 -1387.656096 0.000994 BFGS: 5123 18:00:55 -1387.651472 0.000986 BFGS: 5124 18:00:55 -1387.434333 0.046268 BFGS: 5125 18:00:56 -1387.646773 0.000979 BFGS: 5126 18:00:56 -1387.642211 0.000972 BFGS: 5127 18:00:57 -1387.425086 0.046281 BFGS: 5128 18:00:58 -1387.637588 0.000965 BFGS: 5129 18:00:58 -1387.633096 0.000958 BFGS: 5130 18:00:59 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18:01:15 -1387.568688 0.000857 BFGS: 5155 18:01:16 -1387.568614 0.000857 BFGS: 5156 18:01:17 -1387.351497 0.046385 BFGS: 5157 18:01:17 -1387.572158 0.046074 BFGS: 5158 18:01:18 -1387.789365 0.001202 BFGS: 5159 18:01:18 -1387.783651 0.001193 BFGS: 5160 18:01:19 -1387.566440 0.046082 BFGS: 5161 18:01:19 -1387.777977 0.001185 BFGS: 5162 18:01:20 -1387.772476 0.001176 BFGS: 5163 18:01:21 -1387.555281 0.046098 BFGS: 5164 18:01:21 -1387.766888 0.001167 BFGS: 5165 18:01:22 -1387.761473 0.001159 BFGS: 5166 18:01:22 -1387.544273 0.046113 BFGS: 5167 18:01:23 -1387.755967 0.001150 BFGS: 5168 18:01:23 -1387.750624 0.001142 BFGS: 5169 18:01:24 -1387.533436 0.046128 BFGS: 5170 18:01:24 -1387.745195 0.001133 BFGS: 5171 18:01:25 -1387.739934 0.001125 BFGS: 5172 18:01:26 -1387.522741 0.046143 BFGS: 5173 18:01:26 -1387.734578 0.001117 BFGS: 5174 18:01:26 -1387.729398 0.001108 BFGS: 5175 18:01:27 -1387.512218 0.046158 BFGS: 5176 18:01:28 -1387.724117 0.001100 BFGS: 5177 18:01:28 -1387.719014 0.001092 BFGS: 5178 18:01:29 -1387.501835 0.046173 BFGS: 5179 18:01:30 -1387.713813 0.001084 BFGS: 5180 18:01:30 -1387.708780 0.001076 BFGS: 5181 18:01:31 -1387.491612 0.046187 BFGS: 5182 18:01:33 -1387.703659 0.001068 BFGS: 5183 18:01:33 -1387.698697 0.001060 BFGS: 5184 18:01:35 -1387.481527 0.046202 BFGS: 5185 18:01:40 -1387.693646 0.001052 BFGS: 5186 18:01:42 -1387.688751 0.001045 BFGS: 5187 18:01:44 -1387.471600 0.046216 BFGS: 5188 18:01:47 -1387.683779 0.001037 BFGS: 5189 18:01:48 -1387.678960 0.001029 BFGS: 5190 18:01:50 -1387.461817 0.046229 BFGS: 5191 18:01:51 -1387.674066 0.001022 BFGS: 5192 18:01:52 -1387.669304 0.001014 BFGS: 5193 18:01:53 -1387.452162 0.046243 BFGS: 5194 18:01:54 -1387.664480 0.001007 BFGS: 5195 18:01:54 -1387.659793 0.000999 BFGS: 5196 18:01:55 -1387.442656 0.046256 BFGS: 5197 18:01:56 -1387.655035 0.000992 BFGS: 5198 18:01:57 -1387.650416 0.000985 BFGS: 5199 18:01:58 -1387.433289 0.046270 BFGS: 5200 18:01:58 -1387.645738 0.000977 BFGS: 5201 18:02:00 -1387.641181 0.000970 BFGS: 5202 18:02:00 -1387.416427 0.000618 BFGS: 5203 18:02:01 -1387.199304 0.046598 BFGS: 5204 18:02:02 -1387.421114 0.046287 BFGS: 5205 18:02:02 -1387.638233 0.000966 BFGS: 5206 18:02:03 -1387.633639 0.000958 BFGS: 5207 18:02:03 -1387.416524 0.046293 BFGS: 5208 18:02:04 -1387.629082 0.000951 BFGS: 5209 18:02:05 -1387.624649 0.000944 BFGS: 5210 18:02:05 -1387.407534 0.046306 BFGS: 5211 18:02:06 -1387.620154 0.000937 BFGS: 5212 18:02:07 -1387.615781 0.000930 BFGS: 5213 18:02:08 -1387.398665 0.046318 BFGS: 5214 18:02:08 -1387.611355 0.000924 BFGS: 5215 18:02:09 -1387.607050 0.000917 BFGS: 5216 18:02:10 -1387.389931 0.046331 BFGS: 5217 18:02:11 -1387.602688 0.000910 BFGS: 5218 18:02:11 -1387.598437 0.000903 BFGS: 5219 18:02:12 -1387.381321 0.046343 BFGS: 5220 18:02:14 -1387.594138 0.000897 BFGS: 5221 18:02:14 -1387.589954 0.000890 BFGS: 5222 18:02:15 -1387.372838 0.046355 BFGS: 5223 18:02:15 -1387.585724 0.000883 BFGS: 5224 18:02:17 -1387.581599 0.000877 BFGS: 5225 18:02:17 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18:02:29 -1387.523202 0.046143 BFGS: 5250 18:02:30 -1387.735030 0.001117 BFGS: 5251 18:02:31 -1387.729845 0.001109 BFGS: 5252 18:02:31 -1387.512659 0.046158 BFGS: 5253 18:02:32 -1387.724566 0.001101 BFGS: 5254 18:02:32 -1387.719451 0.001093 BFGS: 5255 18:02:33 -1387.502278 0.046172 BFGS: 5256 18:02:34 -1387.714254 0.001085 BFGS: 5257 18:02:34 -1387.709212 0.001077 BFGS: 5258 18:02:35 -1387.492043 0.046187 BFGS: 5259 18:02:35 -1387.704088 0.001069 BFGS: 5260 18:02:36 -1387.699120 0.001061 BFGS: 5261 18:02:36 -1387.481961 0.046201 BFGS: 5262 18:02:37 -1387.694073 0.001053 BFGS: 5263 18:02:38 -1387.689180 0.001045 BFGS: 5264 18:02:38 -1387.472021 0.046215 BFGS: 5265 18:02:40 -1387.684201 0.001038 BFGS: 5266 18:02:41 -1387.679375 0.001030 BFGS: 5267 18:02:43 -1387.462226 0.046229 BFGS: 5268 18:02:45 -1387.674474 0.001022 BFGS: 5269 18:02:45 -1387.669722 0.001015 BFGS: 5270 18:02:46 -1387.452576 0.046242 BFGS: 5271 18:02:47 -1387.664888 0.001007 BFGS: 5272 18:02:48 -1387.660193 0.001000 BFGS: 5273 18:02:50 -1387.443061 0.046256 BFGS: 5274 18:02:51 -1387.655440 0.000993 BFGS: 5275 18:02:52 -1387.650811 0.000985 BFGS: 5276 18:02:53 -1387.433680 0.046269 BFGS: 5277 18:02:54 -1387.646128 0.000978 BFGS: 5278 18:02:55 -1387.641569 0.000971 BFGS: 5279 18:02:55 -1387.424443 0.046282 BFGS: 5280 18:02:55 -1387.636955 0.000964 BFGS: 5281 18:02:55 -1387.632461 0.000957 BFGS: 5282 18:02:55 -1387.415342 0.046295 BFGS: 5283 18:02:55 -1387.627912 0.000949 BFGS: 5284 18:02:55 -1387.623480 0.000943 BFGS: 5285 18:02:55 -1387.406373 0.046307 BFGS: 5286 18:02:56 -1387.619004 0.000935 BFGS: 5287 18:02:56 -1387.614637 0.000929 BFGS: 5288 18:02:56 -1387.397522 0.046320 BFGS: 5289 18:02:56 -1387.610219 0.000922 BFGS: 5290 18:02:56 -1387.605924 0.000915 BFGS: 5291 18:02:57 -1387.388800 0.046332 BFGS: 5292 18:02:57 -1387.601563 0.000908 BFGS: 5293 18:02:58 -1387.597330 0.000902 BFGS: 5294 18:02:58 -1387.380211 0.046344 BFGS: 5295 18:02:59 -1387.593042 0.000895 BFGS: 5296 18:03:00 -1387.588860 0.000888 BFGS: 5297 18:03:02 -1387.371741 0.046356 BFGS: 5298 18:03:02 -1387.584634 0.000882 BFGS: 5299 18:03:03 -1387.580518 0.000875 BFGS: 5300 18:03:03 -1387.363396 0.046368 BFGS: 5301 18:03:04 -1387.576353 0.000869 BFGS: 5302 18:03:05 -1387.572303 0.000862 BFGS: 5303 18:03:05 -1387.355174 0.046379 BFGS: 5304 18:03:06 -1387.568190 0.000856 BFGS: 5305 18:03:07 -1387.571816 0.046074 BFGS: 5306 18:03:08 -1387.568122 0.000856 BFGS: 5307 18:03:08 -1387.568053 0.000856 BFGS: 5308 18:03:09 -1387.350932 0.046385 BFGS: 5309 18:03:10 -1387.571595 0.046075 BFGS: 5310 18:03:11 -1387.788810 0.001201 BFGS: 5311 18:03:11 -1387.783092 0.001193 BFGS: 5312 18:03:12 -1387.565887 0.046082 BFGS: 5313 18:03:13 -1387.777422 0.001184 BFGS: 5314 18:03:13 -1387.771929 0.001175 BFGS: 5315 18:03:14 -1387.554730 0.046098 BFGS: 5316 18:03:14 -1387.766344 0.001166 BFGS: 5317 18:03:15 -1387.760934 0.001158 BFGS: 5318 18:03:16 -1387.543734 0.046114 BFGS: 5319 18:03:16 -1387.755428 0.001149 BFGS: 5320 18:03:16 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18:07:07 -1387.678554 0.001029 BFGS: 5725 18:07:07 -1387.461403 0.046230 BFGS: 5726 18:07:08 -1387.673660 0.001021 BFGS: 5727 18:07:08 -1387.668905 0.001014 BFGS: 5728 18:07:09 -1387.451760 0.046244 BFGS: 5729 18:07:09 -1387.664085 0.001006 BFGS: 5730 18:07:10 -1387.659393 0.000999 BFGS: 5731 18:07:10 -1387.442260 0.046257 BFGS: 5732 18:07:11 -1387.654644 0.000991 BFGS: 5733 18:07:11 -1387.650029 0.000984 BFGS: 5734 18:07:12 -1387.432894 0.046270 BFGS: 5735 18:07:13 -1387.645340 0.000977 BFGS: 5736 18:07:14 -1387.640791 0.000970 BFGS: 5737 18:07:14 -1387.423666 0.046283 BFGS: 5738 18:07:16 -1387.636182 0.000962 BFGS: 5739 18:07:17 -1387.631695 0.000955 BFGS: 5740 18:07:18 -1387.414571 0.046296 BFGS: 5741 18:07:18 -1387.627148 0.000948 BFGS: 5742 18:07:18 -1387.622727 0.000941 BFGS: 5743 18:07:19 -1387.405614 0.046309 BFGS: 5744 18:07:19 -1387.618255 0.000934 BFGS: 5745 18:07:19 -1387.613890 0.000927 BFGS: 5746 18:07:19 -1387.396778 0.046321 BFGS: 5747 18:07:20 -1387.609484 0.000921 BFGS: 5748 18:07:20 -1387.605191 0.000914 BFGS: 5749 18:07:21 -1387.388072 0.046333 BFGS: 5750 18:07:21 -1387.600837 0.000907 BFGS: 5751 18:07:22 -1387.596603 0.000900 BFGS: 5752 18:07:22 -1387.379485 0.046345 BFGS: 5753 18:07:23 -1387.592321 0.000894 BFGS: 5754 18:07:24 -1387.588145 0.000887 BFGS: 5755 18:07:25 -1387.371026 0.046357 BFGS: 5756 18:07:26 -1387.583934 0.000881 BFGS: 5757 18:07:27 -1387.579818 0.000874 BFGS: 5758 18:07:28 -1387.362694 0.046369 BFGS: 5759 18:07:28 -1387.575659 0.000868 BFGS: 5760 18:07:29 -1387.571608 0.000861 BFGS: 5761 18:07:30 -1387.354487 0.046380 BFGS: 5762 18:07:30 -1387.567506 0.000855 BFGS: 5763 18:07:30 -1387.571132 0.046075 BFGS: 5764 18:07:31 -1387.567435 0.000855 BFGS: 5765 18:07:31 -1387.567362 0.000855 BFGS: 5766 18:07:32 -1387.350249 0.046386 BFGS: 5767 18:07:32 -1387.570918 0.046076 BFGS: 5768 18:07:33 -1387.788130 0.001200 BFGS: 5769 18:07:34 -1387.782416 0.001191 BFGS: 5770 18:07:35 -1387.565195 0.046083 BFGS: 5771 18:07:36 -1387.776745 0.001183 BFGS: 5772 18:07:36 -1387.771269 0.001174 BFGS: 5773 18:07:38 -1387.546437 0.000822 BFGS: 5774 18:07:38 -1387.329336 0.046415 BFGS: 5775 18:07:39 -1387.550167 0.046104 BFGS: 5776 18:07:39 -1387.767374 0.001168 BFGS: 5777 18:07:40 -1387.761818 0.001159 BFGS: 5778 18:07:41 -1387.544619 0.046113 BFGS: 5779 18:07:42 -1387.756308 0.001151 BFGS: 5780 18:07:42 -1387.750971 0.001142 BFGS: 5781 18:07:43 -1387.533778 0.046128 BFGS: 5782 18:07:44 -1387.745535 0.001134 BFGS: 5783 18:07:44 -1387.740269 0.001125 BFGS: 5784 18:07:45 -1387.515471 0.000773 BFGS: 5785 18:07:46 -1387.298327 0.046460 BFGS: 5786 18:07:46 -1387.519414 0.046148 BFGS: 5787 18:07:47 -1387.736591 0.001120 BFGS: 5788 18:07:47 -1387.731270 0.001111 BFGS: 5789 18:07:47 -1387.514085 0.046156 BFGS: 5790 18:07:48 -1387.725975 0.001103 BFGS: 5791 18:07:49 -1387.720855 0.001095 BFGS: 5792 18:07:49 -1387.503684 0.046170 BFGS: 5793 18:07:49 -1387.715646 0.001087 BFGS: 5794 18:07:50 -1387.710593 0.001079 BFGS: 5795 18:07:50 -1387.493426 0.046185 BFGS: 5796 18:07:51 -1387.705463 0.001071 BFGS: 5797 18:07:51 -1387.700480 0.001063 BFGS: 5798 18:07:52 -1387.483314 0.046199 BFGS: 5799 18:07:52 -1387.695424 0.001055 BFGS: 5800 18:07:53 -1387.690515 0.001048 BFGS: 5801 18:07:53 -1387.473360 0.046213 BFGS: 5802 18:07:54 -1387.685536 0.001040 BFGS: 5803 18:07:55 -1387.680696 0.001032 BFGS: 5804 18:07:55 -1387.463549 0.046227 BFGS: 5805 18:07:55 -1387.675790 0.001024 BFGS: 5806 18:07:56 -1387.671017 0.001017 BFGS: 5807 18:07:56 -1387.453878 0.046241 BFGS: 5808 18:07:57 -1387.666181 0.001009 BFGS: 5809 18:07:57 -1387.661487 0.001002 BFGS: 5810 18:07:58 -1387.444342 0.046254 BFGS: 5811 18:07:59 -1387.656709 0.000995 BFGS: 5812 18:08:00 -1387.652086 0.000987 BFGS: 5813 18:08:01 -1387.434950 0.046267 BFGS: 5814 18:08:02 -1387.647383 0.000980 BFGS: 5815 18:08:03 -1387.642815 0.000973 BFGS: 5816 18:08:03 -1387.425693 0.046280 BFGS: 5817 18:08:04 -1387.638191 0.000966 BFGS: 5818 18:08:04 -1387.633697 0.000958 BFGS: 5819 18:08:05 -1387.416565 0.046293 BFGS: 5820 18:08:05 -1387.629138 0.000951 BFGS: 5821 18:08:06 -1387.624695 0.000944 BFGS: 5822 18:08:06 -1387.407574 0.046306 BFGS: 5823 18:08:07 -1387.620198 0.000937 BFGS: 5824 18:08:07 -1387.615833 0.000930 BFGS: 5825 18:08:08 -1387.398716 0.046318 BFGS: 5826 18:08:09 -1387.611406 0.000924 BFGS: 5827 18:08:09 -1387.607101 0.000917 BFGS: 5828 18:08:09 -1387.389978 0.046330 BFGS: 5829 18:08:11 -1387.602738 0.000910 BFGS: 5830 18:08:11 -1387.598488 0.000903 BFGS: 5831 18:08:12 -1387.381372 0.046343 BFGS: 5832 18:08:12 -1387.594188 0.000897 BFGS: 5833 18:08:13 -1387.590001 0.000890 BFGS: 5834 18:08:13 -1387.372884 0.046354 BFGS: 5835 18:08:14 -1387.585773 0.000883 BFGS: 5836 18:08:15 -1387.581649 0.000877 BFGS: 5837 18:08:16 -1387.364524 0.046366 BFGS: 5838 18:08:17 -1387.577472 0.000870 BFGS: 5839 18:08:17 -1387.573406 0.000864 BFGS: 5840 18:08:18 -1387.356288 0.046378 BFGS: 5841 18:08:18 -1387.569293 0.000858 BFGS: 5842 18:08:19 -1387.572913 0.046073 BFGS: 5843 18:08:20 -1387.569222 0.000858 BFGS: 5844 18:08:20 -1387.569153 0.000857 BFGS: 5845 18:08:20 -1387.352030 0.046384 BFGS: 5846 18:08:21 -1387.572691 0.046073 BFGS: 5847 18:08:21 -1387.789901 0.001203 BFGS: 5848 18:08:22 -1387.784179 0.001194 BFGS: 5849 18:08:22 -1387.566958 0.046080 BFGS: 5850 18:08:23 -1387.778490 0.001185 BFGS: 5851 18:08:24 -1387.772993 0.001177 BFGS: 5852 18:08:24 -1387.555791 0.046096 BFGS: 5853 18:08:25 -1387.767402 0.001168 BFGS: 5854 18:08:25 -1387.761981 0.001159 BFGS: 5855 18:08:26 -1387.544778 0.046112 BFGS: 5856 18:08:26 -1387.756472 0.001151 BFGS: 5857 18:08:27 -1387.751128 0.001142 BFGS: 5858 18:08:27 -1387.533935 0.046128 BFGS: 5859 18:08:28 -1387.745695 0.001134 BFGS: 5860 18:08:29 -1387.740431 0.001126 BFGS: 5861 18:08:30 -1387.523244 0.046143 BFGS: 5862 18:08:31 -1387.735076 0.001117 BFGS: 5863 18:08:32 -1387.729884 0.001109 BFGS: 5864 18:08:32 -1387.512710 0.046158 BFGS: 5865 18:08:33 -1387.724605 0.001101 BFGS: 5866 18:08:34 -1387.719495 0.001093 BFGS: 5867 18:08:35 -1387.502318 0.046172 BFGS: 5868 18:08:36 -1387.714295 0.001085 BFGS: 5869 18:08:37 -1387.709253 0.001077 BFGS: 5870 18:08:37 -1387.492090 0.046187 BFGS: 5871 18:08:38 -1387.704132 0.001069 BFGS: 5872 18:08:38 -1387.699160 0.001061 BFGS: 5873 18:08:39 -1387.481999 0.046201 BFGS: 5874 18:08:40 -1387.694120 0.001053 BFGS: 5875 18:08:40 -1387.689219 0.001045 BFGS: 5876 18:08:41 -1387.472057 0.046215 BFGS: 5877 18:08:41 -1387.684243 0.001038 BFGS: 5878 18:08:42 -1387.679408 0.001030 BFGS: 5879 18:08:42 -1387.462267 0.046229 BFGS: 5880 18:08:43 -1387.674509 0.001022 BFGS: 5881 18:08:43 -1387.669754 0.001015 BFGS: 5882 18:08:44 -1387.452610 0.046242 BFGS: 5883 18:08:44 -1387.664926 0.001007 BFGS: 5884 18:08:44 -1387.660240 0.001000 BFGS: 5885 18:08:44 -1387.443095 0.046256 BFGS: 5886 18:08:44 -1387.655479 0.000993 BFGS: 5887 18:08:45 -1387.650856 0.000985 BFGS: 5888 18:08:45 -1387.433722 0.046269 BFGS: 5889 18:08:45 -1387.646162 0.000978 BFGS: 5890 18:08:46 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18:09:00 -1387.572329 0.000862 BFGS: 5915 18:09:01 -1387.355205 0.046379 BFGS: 5916 18:09:02 -1387.568231 0.000856 BFGS: 5917 18:09:02 -1387.571844 0.046074 BFGS: 5918 18:09:03 -1387.568156 0.000856 BFGS: 5919 18:09:03 -1387.568080 0.000856 BFGS: 5920 18:09:04 -1387.350956 0.046385 BFGS: 5921 18:09:04 -1387.571630 0.046075 BFGS: 5922 18:09:04 -1387.788835 0.001202 BFGS: 5923 18:09:05 -1387.783116 0.001193 BFGS: 5924 18:09:06 -1387.565940 0.046084 BFGS: 5925 18:09:06 -1387.777425 0.001184 BFGS: 5926 18:09:07 -1387.771929 0.001175 BFGS: 5927 18:09:07 -1387.554762 0.046100 BFGS: 5928 18:09:08 -1387.766349 0.001166 BFGS: 5929 18:09:08 -1387.760939 0.001158 BFGS: 5930 18:09:10 -1387.543763 0.046115 BFGS: 5931 18:09:10 -1387.755436 0.001149 BFGS: 5932 18:09:11 -1387.750115 0.001141 BFGS: 5933 18:09:12 -1387.525311 0.000788 BFGS: 5934 18:09:12 -1387.308159 0.046446 BFGS: 5935 18:09:13 -1387.529190 0.046135 BFGS: 5936 18:09:14 -1387.746377 0.001135 BFGS: 5937 18:09:15 -1387.740970 0.001127 BFGS: 5938 18:09:15 -1387.523787 0.046142 BFGS: 5939 18:09:16 -1387.735616 0.001118 BFGS: 5940 18:09:17 -1387.730422 0.001110 BFGS: 5941 18:09:18 -1387.513236 0.046157 BFGS: 5942 18:09:19 -1387.725139 0.001102 BFGS: 5943 18:09:19 -1387.720025 0.001094 BFGS: 5944 18:09:19 -1387.502841 0.046171 BFGS: 5945 18:09:20 -1387.714821 0.001086 BFGS: 5946 18:09:20 -1387.709772 0.001078 BFGS: 5947 18:09:20 -1387.492606 0.046186 BFGS: 5948 18:09:21 -1387.704650 0.001070 BFGS: 5949 18:09:22 -1387.699677 0.001062 BFGS: 5950 18:09:22 -1387.482509 0.046200 BFGS: 5951 18:09:23 -1387.694619 0.001054 BFGS: 5952 18:09:23 -1387.689723 0.001046 BFGS: 5953 18:09:24 -1387.472561 0.046214 BFGS: 5954 18:09:24 -1387.684745 0.001038 BFGS: 5955 18:09:25 -1387.679909 0.001031 BFGS: 5956 18:09:27 -1387.462767 0.046228 BFGS: 5957 18:09:29 -1387.675011 0.001023 BFGS: 5958 18:09:29 -1387.670241 0.001016 BFGS: 5959 18:09:30 -1387.453106 0.046242 BFGS: 5960 18:09:30 -1387.665407 0.001008 BFGS: 5961 18:09:31 -1387.660716 0.001001 BFGS: 5962 18:09:32 -1387.443580 0.046255 BFGS: 5963 18:09:33 -1387.655963 0.000993 BFGS: 5964 18:09:33 -1387.651334 0.000986 BFGS: 5965 18:09:34 -1387.434198 0.046268 BFGS: 5966 18:09:35 -1387.646637 0.000979 BFGS: 5967 18:09:35 -1387.642076 0.000972 BFGS: 5968 18:09:36 -1387.424948 0.046281 BFGS: 5969 18:09:36 -1387.637460 0.000964 BFGS: 5970 18:09:37 -1387.632964 0.000957 BFGS: 5971 18:09:37 -1387.415840 0.046294 BFGS: 5972 18:09:38 -1387.628404 0.000950 BFGS: 5973 18:09:39 -1387.623979 0.000943 BFGS: 5974 18:09:39 -1387.406864 0.046307 BFGS: 5975 18:09:40 -1387.619489 0.000936 BFGS: 5976 18:09:40 -1387.615121 0.000929 BFGS: 5977 18:09:41 -1387.398011 0.046319 BFGS: 5978 18:09:41 -1387.610699 0.000922 BFGS: 5979 18:09:42 -1387.606402 0.000916 BFGS: 5980 18:09:43 -1387.389278 0.046331 BFGS: 5981 18:09:43 -1387.602046 0.000909 BFGS: 5982 18:09:44 -1387.597802 0.000902 BFGS: 5983 18:09:44 -1387.380681 0.046344 BFGS: 5984 18:09:45 -1387.593508 0.000896 BFGS: 5985 18:09:46 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18:09:56 -1387.750517 0.001141 BFGS: 6010 18:09:56 -1387.533318 0.046128 BFGS: 6011 18:09:57 -1387.745083 0.001133 BFGS: 6012 18:09:57 -1387.739817 0.001125 BFGS: 6013 18:09:58 -1387.522634 0.046144 BFGS: 6014 18:09:59 -1387.734470 0.001116 BFGS: 6015 18:09:59 -1387.729289 0.001108 BFGS: 6016 18:10:00 -1387.512113 0.046159 BFGS: 6017 18:10:00 -1387.724014 0.001100 BFGS: 6018 18:10:01 -1387.718904 0.001092 BFGS: 6019 18:10:01 -1387.501735 0.046173 BFGS: 6020 18:10:02 -1387.713711 0.001084 BFGS: 6021 18:10:02 -1387.708672 0.001076 BFGS: 6022 18:10:03 -1387.491503 0.046188 BFGS: 6023 18:10:04 -1387.703551 0.001068 BFGS: 6024 18:10:04 -1387.698588 0.001060 BFGS: 6025 18:10:05 -1387.481428 0.046202 BFGS: 6026 18:10:07 -1387.693542 0.001052 BFGS: 6027 18:10:09 -1387.688647 0.001045 BFGS: 6028 18:10:10 -1387.471492 0.046216 BFGS: 6029 18:10:10 -1387.683682 0.001037 BFGS: 6030 18:10:10 -1387.678854 0.001029 BFGS: 6031 18:10:11 -1387.461709 0.046230 BFGS: 6032 18:10:12 -1387.673965 0.001022 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18:14:05 -1387.532178 0.046130 BFGS: 6390 18:14:06 -1387.743950 0.001131 BFGS: 6391 18:14:06 -1387.738697 0.001123 BFGS: 6392 18:14:07 -1387.521509 0.046145 BFGS: 6393 18:14:08 -1387.733350 0.001115 BFGS: 6394 18:14:09 -1387.728174 0.001106 BFGS: 6395 18:14:09 -1387.510997 0.046160 BFGS: 6396 18:14:10 -1387.722917 0.001098 BFGS: 6397 18:14:10 -1387.717815 0.001090 BFGS: 6398 18:14:11 -1387.500636 0.046175 BFGS: 6399 18:14:12 -1387.712624 0.001082 BFGS: 6400 18:14:13 -1387.707594 0.001074 BFGS: 6401 18:14:14 -1387.490429 0.046189 BFGS: 6402 18:14:15 -1387.702479 0.001066 BFGS: 6403 18:14:15 -1387.697522 0.001058 BFGS: 6404 18:14:16 -1387.480370 0.046203 BFGS: 6405 18:14:17 -1387.692493 0.001051 BFGS: 6406 18:14:18 -1387.687608 0.001043 BFGS: 6407 18:14:19 -1387.470449 0.046217 BFGS: 6408 18:14:19 -1387.682646 0.001035 BFGS: 6409 18:14:21 -1387.677823 0.001028 BFGS: 6410 18:14:22 -1387.460680 0.046231 BFGS: 6411 18:14:23 -1387.672937 0.001020 BFGS: 6412 18:14:23 -1387.668191 0.001012 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18:15:08 -1387.677377 0.001027 BFGS: 6485 18:15:09 -1387.460231 0.046232 BFGS: 6486 18:15:09 -1387.672490 0.001019 BFGS: 6487 18:15:10 -1387.667754 0.001012 BFGS: 6488 18:15:11 -1387.450611 0.046245 BFGS: 6489 18:15:11 -1387.662934 0.001004 BFGS: 6490 18:15:12 -1387.658260 0.000997 BFGS: 6491 18:15:13 -1387.441117 0.046258 BFGS: 6492 18:15:14 -1387.653516 0.000990 BFGS: 6493 18:15:15 -1387.648902 0.000982 BFGS: 6494 18:15:15 -1387.431779 0.046272 BFGS: 6495 18:15:16 -1387.644225 0.000975 BFGS: 6496 18:15:17 -1387.639687 0.000968 BFGS: 6497 18:15:18 -1387.422566 0.046285 BFGS: 6498 18:15:20 -1387.635087 0.000961 BFGS: 6499 18:15:21 -1387.630605 0.000954 BFGS: 6500 18:15:22 -1387.413487 0.046297 BFGS: 6501 18:15:23 -1387.626074 0.000947 BFGS: 6502 18:15:24 -1387.621656 0.000940 BFGS: 6503 18:15:25 -1387.404540 0.046310 BFGS: 6504 18:15:25 -1387.617182 0.000933 BFGS: 6505 18:15:26 -1387.612840 0.000926 BFGS: 6506 18:15:27 -1387.395719 0.046322 BFGS: 6507 18:15:29 -1387.608431 0.000919 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18:16:06 -1387.616896 0.000932 BFGS: 6580 18:16:07 -1387.612549 0.000925 BFGS: 6581 18:16:08 -1387.395436 0.046323 BFGS: 6582 18:16:08 -1387.608148 0.000918 BFGS: 6583 18:16:09 -1387.603862 0.000912 BFGS: 6584 18:16:10 -1387.386751 0.046335 BFGS: 6585 18:16:11 -1387.599524 0.000905 BFGS: 6586 18:16:12 -1387.595301 0.000898 BFGS: 6587 18:16:14 -1387.378186 0.046347 BFGS: 6588 18:16:14 -1387.591023 0.000892 BFGS: 6589 18:16:15 -1387.586865 0.000885 BFGS: 6590 18:16:16 -1387.369742 0.046359 BFGS: 6591 18:16:17 -1387.582652 0.000879 BFGS: 6592 18:16:18 -1387.578546 0.000872 BFGS: 6593 18:16:19 -1387.361430 0.046371 BFGS: 6594 18:16:19 -1387.574404 0.000866 BFGS: 6595 18:16:20 -1387.570365 0.000859 BFGS: 6596 18:16:20 -1387.353240 0.046382 BFGS: 6597 18:16:21 -1387.566269 0.000853 BFGS: 6598 18:16:21 -1387.569903 0.046077 BFGS: 6599 18:16:21 -1387.573811 0.046072 BFGS: 6600 18:16:21 -1387.791027 0.001205 BFGS: 6601 18:16:22 -1387.785294 0.001196 BFGS: 6602 18:16:23 -1387.568087 0.046080 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18:21:48 -1387.565360 0.046083 BFGS: 7055 18:21:48 -1387.776907 0.001183 BFGS: 7056 18:21:48 -1387.771420 0.001174 BFGS: 7057 18:21:49 -1387.554201 0.046099 BFGS: 7058 18:21:50 -1387.765830 0.001165 BFGS: 7059 18:21:51 -1387.760426 0.001157 BFGS: 7060 18:21:52 -1387.543217 0.046114 BFGS: 7061 18:21:53 -1387.754924 0.001148 BFGS: 7062 18:21:53 -1387.749599 0.001140 BFGS: 7063 18:21:54 -1387.532396 0.046129 BFGS: 7064 18:21:55 -1387.744177 0.001132 BFGS: 7065 18:21:55 -1387.738925 0.001123 BFGS: 7066 18:21:56 -1387.521734 0.046145 BFGS: 7067 18:21:56 -1387.733578 0.001115 BFGS: 7068 18:21:57 -1387.728400 0.001107 BFGS: 7069 18:21:57 -1387.511223 0.046160 BFGS: 7070 18:21:59 -1387.723136 0.001099 BFGS: 7071 18:22:00 -1387.718028 0.001091 BFGS: 7072 18:22:00 -1387.500865 0.046175 BFGS: 7073 18:22:01 -1387.712843 0.001082 BFGS: 7074 18:22:01 -1387.707807 0.001075 BFGS: 7075 18:22:02 -1387.490647 0.046189 BFGS: 7076 18:22:02 -1387.702692 0.001067 BFGS: 7077 18:22:03 -1387.697738 0.001059 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18:22:27 -1387.707279 0.001074 BFGS: 7150 18:22:27 -1387.490113 0.046190 BFGS: 7151 18:22:27 -1387.702172 0.001066 BFGS: 7152 18:22:28 -1387.697213 0.001058 BFGS: 7153 18:22:28 -1387.480052 0.046204 BFGS: 7154 18:22:28 -1387.692185 0.001050 BFGS: 7155 18:22:28 -1387.687298 0.001042 BFGS: 7156 18:22:29 -1387.470144 0.046218 BFGS: 7157 18:22:29 -1387.682341 0.001035 BFGS: 7158 18:22:29 -1387.677528 0.001027 BFGS: 7159 18:22:29 -1387.460379 0.046231 BFGS: 7160 18:22:29 -1387.672641 0.001019 BFGS: 7161 18:22:29 -1387.667891 0.001012 BFGS: 7162 18:22:30 -1387.450757 0.046245 BFGS: 7163 18:22:30 -1387.663082 0.001004 BFGS: 7164 18:22:30 -1387.658399 0.000997 BFGS: 7165 18:22:30 -1387.441261 0.046258 BFGS: 7166 18:22:30 -1387.653653 0.000990 BFGS: 7167 18:22:30 -1387.649051 0.000982 BFGS: 7168 18:22:30 -1387.431917 0.046271 BFGS: 7169 18:22:31 -1387.644375 0.000975 BFGS: 7170 18:22:31 -1387.639831 0.000968 BFGS: 7171 18:22:31 -1387.422701 0.046284 BFGS: 7172 18:22:31 -1387.635220 0.000961 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18:23:15 -1387.644032 0.000975 BFGS: 7245 18:23:15 -1387.639487 0.000968 BFGS: 7246 18:23:16 -1387.422364 0.046285 BFGS: 7247 18:23:17 -1387.634883 0.000960 BFGS: 7248 18:23:17 -1387.630411 0.000953 BFGS: 7249 18:23:18 -1387.413292 0.046298 BFGS: 7250 18:23:18 -1387.625872 0.000946 BFGS: 7251 18:23:19 -1387.621464 0.000939 BFGS: 7252 18:23:20 -1387.404347 0.046310 BFGS: 7253 18:23:21 -1387.616996 0.000932 BFGS: 7254 18:23:21 -1387.612643 0.000926 BFGS: 7255 18:23:22 -1387.395526 0.046323 BFGS: 7256 18:23:23 -1387.608241 0.000919 BFGS: 7257 18:23:24 -1387.603956 0.000912 BFGS: 7258 18:23:25 -1387.386835 0.046335 BFGS: 7259 18:23:26 -1387.599622 0.000905 BFGS: 7260 18:23:28 -1387.595395 0.000898 BFGS: 7261 18:23:29 -1387.378275 0.046347 BFGS: 7262 18:23:30 -1387.591116 0.000892 BFGS: 7263 18:23:31 -1387.586955 0.000885 BFGS: 7264 18:23:32 -1387.369834 0.046359 BFGS: 7265 18:23:33 -1387.582746 0.000879 BFGS: 7266 18:23:34 -1387.578637 0.000872 BFGS: 7267 18:23:34 -1387.361518 0.046370 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-1387.566236 0.000853 BFGS: 9691 18:53:37 -1387.566235 0.000853 BFGS: 9692 18:53:38 -1387.566235 0.000853 BFGS: 9693 18:53:39 -1387.566235 0.000853 BFGS: 9694 18:53:39 -1387.566235 0.000853 BFGS: 9695 18:53:40 -1387.566235 0.000853 BFGS: 9696 18:53:41 -1387.566235 0.000853 BFGS: 9697 18:53:41 -1387.566235 0.000853 BFGS: 9698 18:53:42 -1387.566235 0.000853 BFGS: 9699 18:53:42 -1387.566235 0.000853 BFGS: 9700 18:53:43 -1387.566235 0.000853 BFGS: 9701 18:53:44 -1387.566235 0.000853 BFGS: 9702 18:53:45 -1387.566235 0.000853 BFGS: 9703 18:53:45 -1387.566235 0.000853 BFGS: 9704 18:53:46 -1387.566234 0.000853 BFGS: 9705 18:53:46 -1387.566234 0.000853 BFGS: 9706 18:53:47 -1387.566234 0.000853 BFGS: 9707 18:53:47 -1387.566234 0.000853 BFGS: 9708 18:53:48 -1387.566234 0.000853 BFGS: 9709 18:53:49 -1387.566234 0.000853 BFGS: 9710 18:53:49 -1387.566234 0.000853 BFGS: 9711 18:53:50 -1387.566234 0.000853 BFGS: 9712 18:53:50 -1387.566234 0.000853 BFGS: 9713 18:53:51 -1387.566234 0.000853 BFGS: 9714 18:53:52 -1387.566234 0.000853 BFGS: 9715 18:53:52 -1387.566234 0.000853 BFGS: 9716 18:53:52 -1387.566234 0.000853 BFGS: 9717 18:53:53 -1387.566233 0.000853 BFGS: 9718 18:53:53 -1387.566233 0.000853 BFGS: 9719 18:53:54 -1387.566233 0.000853 BFGS: 9720 18:53:54 -1387.566233 0.000853 BFGS: 9721 18:53:55 -1387.566233 0.000853 BFGS: 9722 18:53:55 -1387.566233 0.000853 BFGS: 9723 18:53:55 -1387.566233 0.000853 BFGS: 9724 18:53:56 -1387.566233 0.000853 BFGS: 9725 18:53:56 -1387.566233 0.000853 BFGS: 9726 18:53:57 -1387.566233 0.000853 BFGS: 9727 18:53:57 -1387.566233 0.000853 BFGS: 9728 18:53:58 -1387.566233 0.000853 BFGS: 9729 18:53:58 -1387.566233 0.000853 BFGS: 9730 18:53:59 -1387.566233 0.000853 BFGS: 9731 18:53:59 -1387.566232 0.000853 BFGS: 9732 18:53:59 -1387.566232 0.000853 BFGS: 9733 18:54:00 -1387.566232 0.000853 BFGS: 9734 18:54:00 -1387.566232 0.000853 BFGS: 9735 18:54:00 -1387.566232 0.000853 BFGS: 9736 18:54:00 -1387.566232 0.000853 BFGS: 9737 18:54:01 -1387.573849 0.046072 BFGS: 9738 18:54:01 -1387.566241 0.000853 BFGS: 9739 18:54:01 -1387.566232 0.000853 BFGS: 9740 18:54:02 -1387.566233 0.000853 BFGS: 9741 18:54:02 -1387.566236 0.000853 BFGS: 9742 18:54:03 -1387.566236 0.000853 BFGS: 9743 18:54:03 -1387.566235 0.000853 BFGS: 9744 18:54:03 -1387.566236 0.000853 BFGS: 9745 18:54:04 -1387.566236 0.000853 BFGS: 9746 18:54:04 -1387.566236 0.000853 BFGS: 9747 18:54:05 -1387.566234 0.000853 BFGS: 9748 18:54:05 -1387.566236 0.000853 BFGS: 9749 18:54:06 -1387.566236 0.000853 BFGS: 9750 18:54:07 -1387.566235 0.000853 BFGS: 9751 18:54:07 -1387.566235 0.000853 BFGS: 9752 18:54:07 -1387.566234 0.000853 BFGS: 9753 18:54:07 -1387.566235 0.000853 BFGS: 9754 18:54:07 -1387.566235 0.000853 BFGS: 9755 18:54:07 -1387.566235 0.000853 BFGS: 9756 18:54:08 -1387.566235 0.000853 BFGS: 9757 18:54:08 -1387.566235 0.000853 BFGS: 9758 18:54:08 -1387.566235 0.000853 BFGS: 9759 18:54:08 -1387.566235 0.000853 BFGS: 9760 18:54:08 -1387.566235 0.000853 BFGS: 9761 18:54:08 -1387.566234 0.000853 BFGS: 9762 18:54:09 -1387.566234 0.000853 BFGS: 9763 18:54:09 -1387.566234 0.000853 BFGS: 9764 18:54:09 -1387.566234 0.000853 BFGS: 9765 18:54:09 -1387.566234 0.000853 BFGS: 9766 18:54:09 -1387.566234 0.000853 BFGS: 9767 18:54:10 -1387.566234 0.000853 BFGS: 9768 18:54:10 -1387.566234 0.000853 BFGS: 9769 18:54:10 -1387.566234 0.000853 BFGS: 9770 18:54:10 -1387.566234 0.000853 BFGS: 9771 18:54:10 -1387.566234 0.000853 BFGS: 9772 18:54:10 -1387.566234 0.000853 BFGS: 9773 18:54:10 -1387.566233 0.000853 BFGS: 9774 18:54:10 -1387.566233 0.000853 BFGS: 9775 18:54:10 -1387.566233 0.000853 BFGS: 9776 18:54:11 -1387.566233 0.000853 BFGS: 9777 18:54:11 -1387.566233 0.000853 BFGS: 9778 18:54:11 -1387.566233 0.000853 BFGS: 9779 18:54:11 -1387.566233 0.000853 BFGS: 9780 18:54:11 -1387.566233 0.000853 BFGS: 9781 18:54:12 -1387.566233 0.000853 BFGS: 9782 18:54:12 -1387.566233 0.000853 BFGS: 9783 18:54:13 -1387.566233 0.000853 BFGS: 9784 18:54:13 -1387.566232 0.000853 BFGS: 9785 18:54:13 -1387.566232 0.000853 BFGS: 9786 18:54:14 -1387.566232 0.000853 BFGS: 9787 18:54:14 -1387.566232 0.000853 BFGS: 9788 18:54:14 -1387.566232 0.000853 BFGS: 9789 18:54:15 -1387.573849 0.046072 BFGS: 9790 18:54:15 -1387.566232 0.000853 BFGS: 9791 18:54:15 -1387.566233 0.000853 BFGS: 9792 18:54:16 -1387.566228 0.000853 BFGS: 9793 18:54:16 -1387.566238 0.000853 BFGS: 9794 18:54:17 -1387.566238 0.000853 BFGS: 9795 18:54:18 -1387.566234 0.000853 BFGS: 9796 18:54:18 -1387.566237 0.000853 BFGS: 9797 18:54:18 -1387.566237 0.000853 BFGS: 9798 18:54:19 -1387.566237 0.000853 BFGS: 9799 18:54:20 -1387.566233 0.000853 BFGS: 9800 18:54:20 -1387.566237 0.000853 BFGS: 9801 18:54:20 -1387.566237 0.000853 BFGS: 9802 18:54:20 -1387.566237 0.000853 BFGS: 9803 18:54:20 -1387.566233 0.000853 BFGS: 9804 18:54:20 -1387.566236 0.000853 BFGS: 9805 18:54:20 -1387.566236 0.000853 BFGS: 9806 18:54:21 -1387.566236 0.000853 BFGS: 9807 18:54:21 -1387.566236 0.000853 BFGS: 9808 18:54:21 -1387.566232 0.000853 BFGS: 9809 18:54:21 -1387.566236 0.000853 BFGS: 9810 18:54:22 -1387.566236 0.000853 BFGS: 9811 18:54:22 -1387.566236 0.000853 BFGS: 9812 18:54:22 -1387.566236 0.000853 BFGS: 9813 18:54:23 -1387.566232 0.000853 BFGS: 9814 18:54:23 -1387.566235 0.000853 BFGS: 9815 18:54:24 -1387.566235 0.000853 BFGS: 9816 18:54:24 -1387.566235 0.000853 BFGS: 9817 18:54:24 -1387.566235 0.000853 BFGS: 9818 18:54:25 -1387.566235 0.000853 BFGS: 9819 18:54:25 -1387.566235 0.000853 BFGS: 9820 18:54:26 -1387.566231 0.000853 BFGS: 9821 18:54:26 -1387.566235 0.000853 BFGS: 9822 18:54:27 -1387.566235 0.000853 BFGS: 9823 18:54:27 -1387.566234 0.000853 BFGS: 9824 18:54:28 -1387.566234 0.000853 BFGS: 9825 18:54:28 -1387.566234 0.000853 BFGS: 9826 18:54:29 -1387.566234 0.000853 BFGS: 9827 18:54:29 -1387.566234 0.000853 BFGS: 9828 18:54:30 -1387.566234 0.000853 BFGS: 9829 18:54:30 -1387.566234 0.000853 BFGS: 9830 18:54:31 -1387.566234 0.000853 BFGS: 9831 18:54:31 -1387.566234 0.000853 BFGS: 9832 18:54:32 -1387.566234 0.000853 BFGS: 9833 18:54:32 -1387.566233 0.000853 BFGS: 9834 18:54:33 -1387.566233 0.000853 BFGS: 9835 18:54:33 -1387.566233 0.000853 BFGS: 9836 18:54:34 -1387.566233 0.000853 BFGS: 9837 18:54:34 -1387.566233 0.000853 BFGS: 9838 18:54:35 -1387.566233 0.000853 BFGS: 9839 18:54:35 -1387.566233 0.000853 BFGS: 9840 18:54:36 -1387.566233 0.000853 BFGS: 9841 18:54:36 -1387.566233 0.000853 BFGS: 9842 18:54:37 -1387.573849 0.046072 BFGS: 9843 18:54:37 -1387.566232 0.000853 BFGS: 9844 18:54:37 -1387.566231 0.000853 BFGS: 9845 18:54:38 -1387.566239 0.000853 BFGS: 9846 18:54:38 -1387.566239 0.000853 BFGS: 9847 18:54:38 -1387.566234 0.000853 BFGS: 9848 18:54:39 -1387.566238 0.000853 BFGS: 9849 18:54:39 -1387.566233 0.000853 BFGS: 9850 18:54:40 -1387.566238 0.000853 BFGS: 9851 18:54:41 -1387.566233 0.000853 BFGS: 9852 18:54:41 -1387.566238 0.000853 BFGS: 9853 18:54:42 -1387.566233 0.000853 BFGS: 9854 18:54:42 -1387.566237 0.000853 BFGS: 9855 18:54:43 -1387.566232 0.000853 BFGS: 9856 18:54:44 -1387.566237 0.000853 BFGS: 9857 18:54:44 -1387.566232 0.000853 BFGS: 9858 18:54:46 -1387.566237 0.000853 BFGS: 9859 18:54:47 -1387.566232 0.000853 BFGS: 9860 18:54:48 -1387.566237 0.000853 BFGS: 9861 18:54:48 -1387.566232 0.000853 BFGS: 9862 18:54:49 -1387.566236 0.000853 BFGS: 9863 18:54:49 -1387.566232 0.000853 BFGS: 9864 18:54:50 -1387.566236 0.000853 BFGS: 9865 18:54:50 -1387.566231 0.000853 BFGS: 9866 18:54:51 -1387.566236 0.000853 BFGS: 9867 18:54:51 -1387.566231 0.000853 BFGS: 9868 18:54:52 -1387.566236 0.000853 BFGS: 9869 18:54:52 -1387.566231 0.000853 BFGS: 9870 18:54:53 -1387.566236 0.000853 BFGS: 9871 18:54:53 -1387.566231 0.000853 BFGS: 9872 18:54:53 -1387.566235 0.000853 BFGS: 9873 18:54:54 -1387.566230 0.000853 BFGS: 9874 18:54:54 -1387.566235 0.000853 BFGS: 9875 18:54:55 -1387.566230 0.000853 BFGS: 9876 18:54:55 -1387.566235 0.000853 BFGS: 9877 18:54:56 -1387.566230 0.000853 BFGS: 9878 18:54:56 -1387.566235 0.000853 BFGS: 9879 18:54:56 -1387.566230 0.000853 BFGS: 9880 18:54:57 -1387.566234 0.000853 BFGS: 9881 18:54:57 -1387.566229 0.000853 BFGS: 9882 18:54:58 -1387.566234 0.000853 BFGS: 9883 18:54:58 -1387.566229 0.000853 BFGS: 9884 18:54:58 -1387.566234 0.000853 BFGS: 9885 18:54:59 -1387.566229 0.000853 BFGS: 9886 18:54:59 -1387.566234 0.000853 BFGS: 9887 18:55:00 -1387.566230 0.000853 BFGS: 9888 18:55:00 -1387.566233 0.000853 BFGS: 9889 18:55:01 -1387.566228 0.000853 BFGS: 9890 18:55:02 -1387.566233 0.000853 BFGS: 9891 18:55:02 -1387.566229 0.000853 BFGS: 9892 18:55:03 -1387.566233 0.000853 BFGS: 9893 18:55:03 -1387.566229 0.000853 BFGS: 9894 18:55:04 -1387.573849 0.046072 BFGS: 9895 18:55:05 -1387.566234 0.000853 BFGS: 9896 18:55:05 -1387.566235 0.000853 BFGS: 9897 18:55:06 -1387.566240 0.000853 BFGS: 9898 18:55:06 -1387.566236 0.000853 BFGS: 9899 18:55:07 -1387.566235 0.000853 BFGS: 9900 18:55:07 -1387.566239 0.000853 BFGS: 9901 18:55:08 -1387.566234 0.000853 BFGS: 9902 18:55:09 -1387.566236 0.000853 BFGS: 9903 18:55:10 -1387.566234 0.000853 BFGS: 9904 18:55:10 -1387.566239 0.000853 BFGS: 9905 18:55:11 -1387.566234 0.000853 BFGS: 9906 18:55:11 -1387.566235 0.000853 BFGS: 9907 18:55:12 -1387.566233 0.000853 BFGS: 9908 18:55:12 -1387.566238 0.000853 BFGS: 9909 18:55:13 -1387.566233 0.000853 BFGS: 9910 18:55:13 -1387.566234 0.000853 BFGS: 9911 18:55:13 -1387.566233 0.000853 BFGS: 9912 18:55:13 -1387.566238 0.000853 BFGS: 9913 18:55:14 -1387.566233 0.000853 BFGS: 9914 18:55:14 -1387.566234 0.000853 BFGS: 9915 18:55:14 -1387.566232 0.000853 BFGS: 9916 18:55:14 -1387.566237 0.000853 BFGS: 9917 18:55:15 -1387.566232 0.000853 BFGS: 9918 18:55:15 -1387.566233 0.000853 BFGS: 9919 18:55:16 -1387.566232 0.000853 BFGS: 9920 18:55:17 -1387.566237 0.000853 BFGS: 9921 18:55:18 -1387.566232 0.000853 BFGS: 9922 18:55:18 -1387.566233 0.000853 BFGS: 9923 18:55:19 -1387.566231 0.000853 BFGS: 9924 18:55:20 -1387.566236 0.000853 BFGS: 9925 18:55:21 -1387.566232 0.000853 BFGS: 9926 18:55:22 -1387.566232 0.000853 BFGS: 9927 18:55:22 -1387.566232 0.000853 BFGS: 9928 18:55:23 -1387.566231 0.000853 BFGS: 9929 18:55:24 -1387.566235 0.000853 BFGS: 9930 18:55:24 -1387.566231 0.000853 BFGS: 9931 18:55:25 -1387.566235 0.000853 BFGS: 9932 18:55:26 -1387.566231 0.000853 BFGS: 9933 18:55:26 -1387.566231 0.000853 BFGS: 9934 18:55:27 -1387.566231 0.000853 BFGS: 9935 18:55:27 -1387.566233 0.000853 BFGS: 9936 18:55:27 -1387.566231 0.000853 BFGS: 9937 18:55:27 -1387.566229 0.000853 BFGS: 9938 18:55:27 -1387.566234 0.000853 BFGS: 9939 18:55:28 -1387.566230 0.000853 BFGS: 9940 18:55:28 -1387.566234 0.000853 BFGS: 9941 18:55:29 -1387.566230 0.000853 BFGS: 9942 18:55:30 -1387.566233 0.000853 BFGS: 9943 18:55:31 -1387.566230 0.000853 BFGS: 9944 18:55:31 -1387.566233 0.000853 BFGS: 9945 18:55:32 -1387.566229 0.000853 BFGS: 9946 18:55:32 -1387.566233 0.000853 BFGS: 9947 18:55:32 -1387.573846 0.046072 BFGS: 9948 18:55:33 -1387.566239 0.000853 BFGS: 9949 18:55:33 -1387.566235 0.000853 BFGS: 9950 18:55:34 -1387.566240 0.000853 BFGS: 9951 18:55:34 -1387.566236 0.000853 BFGS: 9952 18:55:35 -1387.566236 0.000853 BFGS: 9953 18:55:35 -1387.566236 0.000853 BFGS: 9954 18:55:36 -1387.566235 0.000853 BFGS: 9955 18:55:36 -1387.566235 0.000853 BFGS: 9956 18:55:36 -1387.566235 0.000853 BFGS: 9957 18:55:37 -1387.566235 0.000853 BFGS: 9958 18:55:37 -1387.566235 0.000853 BFGS: 9959 18:55:37 -1387.566235 0.000853 BFGS: 9960 18:55:38 -1387.566234 0.000853 BFGS: 9961 18:55:38 -1387.566234 0.000853 BFGS: 9962 18:55:39 -1387.566234 0.000853 BFGS: 9963 18:55:40 -1387.566234 0.000853 BFGS: 9964 18:55:41 -1387.566234 0.000853 BFGS: 9965 18:55:41 -1387.566234 0.000853 BFGS: 9966 18:55:42 -1387.566234 0.000853 BFGS: 9967 18:55:42 -1387.566233 0.000853 BFGS: 9968 18:55:43 -1387.566233 0.000853 BFGS: 9969 18:55:43 -1387.566233 0.000853 BFGS: 9970 18:55:44 -1387.566233 0.000853 BFGS: 9971 18:55:45 -1387.566233 0.000853 BFGS: 9972 18:55:45 -1387.566233 0.000853 BFGS: 9973 18:55:46 -1387.566233 0.000853 BFGS: 9974 18:55:46 -1387.566232 0.000853 BFGS: 9975 18:55:46 -1387.566232 0.000853 BFGS: 9976 18:55:47 -1387.566232 0.000853 BFGS: 9977 18:55:47 -1387.566232 0.000853 BFGS: 9978 18:55:48 -1387.566233 0.000853 BFGS: 9979 18:55:48 -1387.566233 0.000853 BFGS: 9980 18:55:49 -1387.566232 0.000853 BFGS: 9981 18:55:49 -1387.566232 0.000853 BFGS: 9982 18:55:50 -1387.566232 0.000853 BFGS: 9983 18:55:51 -1387.566231 0.000853 BFGS: 9984 18:55:51 -1387.566232 0.000853 BFGS: 9985 18:55:52 -1387.566232 0.000853 BFGS: 9986 18:55:52 -1387.566231 0.000853 BFGS: 9987 18:55:53 -1387.566231 0.000853 BFGS: 9988 18:55:53 -1387.566231 0.000853 BFGS: 9989 18:55:54 -1387.566231 0.000853 BFGS: 9990 18:55:54 -1387.566231 0.000853 BFGS: 9991 18:55:55 -1387.566231 0.000853 BFGS: 9992 18:55:55 -1387.566232 0.000853 BFGS: 9993 18:55:56 -1387.566230 0.000853 BFGS: 9994 18:55:57 -1387.566231 0.000853 BFGS: 9995 18:55:57 -1387.566230 0.000853 BFGS: 9996 18:55:57 -1387.566231 0.000853 BFGS: 9997 18:55:57 -1387.566230 0.000853 BFGS: 9998 18:55:58 -1387.566231 0.000853 BFGS: 9999 18:55:58 -1387.566229 0.000853 BFGS: 10000 18:55:59 -1387.573847 0.046072 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 6.446062092503813e-05 eV/Angstrom Maximum stress component: 0.00036321071316922527 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0. 0. 0. ] [0. 0.5 0.5 ] [0.5 0.5 0. ] [0.5 0. 0.5 ] [0.75 0.25 0.75 ] [0.25 0.25 0.25 ] [0.25 0.75 0.75 ] [0.75 0.75 0.25 ] [0.91635786 0.91635786 0.91635786] [0.08364214 0.58364214 0.41635786] [0.58364214 0.41635786 0.08364214] [0.41635786 0.08364214 0.58364214] [0.66635786 0.16635786 0.83364214] [0.33364214 0.33364214 0.33364214] [0.16635786 0.83364214 0.66635786] [0.83364214 0.66635786 0.16635786] [0.16635786 0.66635786 0.83364214] [0.66635786 0.83364214 0.16635786] [0.83364214 0.16635786 0.66635786] [0.58364214 0.08364214 0.41635786] [0.08364214 0.41635786 0.58364214] [0.41635786 0.58364214 0.08364214] [0.91635786 0.41635786 0.41635786] [0.08364214 0.08364214 0.91635786] [0.58364214 0.91635786 0.58364214] [0.66635786 0.66635786 0.33364214] [0.33364214 0.83364214 0.83364214] [0.16635786 0.33364214 0.16635786] [0.16635786 0.16635786 0.33364214] [0.66635786 0.33364214 0.66635786] [0.58364214 0.58364214 0.91635786] [0.08364214 0.91635786 0.08364214] [0.41635786 0.91635786 0.41635786] [0.91635786 0.08364214 0.08364214] [0.83364214 0.33364214 0.83364214] [0.33364214 0.66635786 0.66635786] [0.33364214 0.16635786 0.16635786] [0.91635786 0.58364214 0.58364214] [0.41635786 0.41635786 0.91635786] [0.83364214 0.83364214 0.33364214] [0.44932995 0.44932995 0.30485964] [0.55067005 0.05067005 0.80485964] [0.05067005 0.94932995 0.69514036] [0.94932995 0.55067005 0.19514036] [0.30485964 0.44932995 0.44932995] [0.80485964 0.55067005 0.05067005] [0.69514036 0.05067005 0.94932995] [0.19514036 0.94932995 0.55067005] [0.44932995 0.30485964 0.44932995] [0.05067005 0.80485964 0.55067005] [0.94932995 0.69514036 0.05067005] [0.55067005 0.19514036 0.94932995] [0.19932995 0.69932995 0.44514036] [0.80067005 0.80067005 0.94514036] [0.69932995 0.30067005 0.05485964] [0.30067005 0.19932995 0.55485964] [0.19932995 0.55485964 0.30067005] [0.30067005 0.05485964 0.69932995] [0.80067005 0.94514036 0.80067005] [0.69932995 0.44514036 0.19932995] [0.05485964 0.69932995 0.30067005] [0.55485964 0.30067005 0.19932995] [0.44514036 0.19932995 0.69932995] [0.94514036 0.80067005 0.80067005] [0.69932995 0.19932995 0.44514036] [0.19932995 0.30067005 0.55485964] [0.30067005 0.69932995 0.05485964] [0.44514036 0.69932995 0.19932995] [0.55485964 0.19932995 0.30067005] [0.05485964 0.30067005 0.69932995] [0.19932995 0.44514036 0.69932995] [0.30067005 0.55485964 0.19932995] [0.69932995 0.05485964 0.30067005] [0.05067005 0.55067005 0.80485964] [0.55067005 0.94932995 0.19514036] [0.94932995 0.05067005 0.69514036] [0.05067005 0.69514036 0.94932995] [0.94932995 0.19514036 0.55067005] [0.55067005 0.80485964 0.05067005] [0.19514036 0.55067005 0.94932995] [0.69514036 0.94932995 0.05067005] [0.80485964 0.05067005 0.55067005] [0.44932995 0.94932995 0.80485964] [0.55067005 0.55067005 0.30485964] [0.05067005 0.44932995 0.19514036] [0.30485964 0.94932995 0.94932995] [0.69514036 0.55067005 0.44932995] [0.19514036 0.44932995 0.05067005] [0.44932995 0.80485964 0.94932995] [0.05067005 0.30485964 0.05067005] [0.55067005 0.69514036 0.44932995] [0.19932995 0.19932995 0.94514036] [0.80067005 0.30067005 0.44514036] [0.69932995 0.80067005 0.55485964] [0.19932995 0.05485964 0.80067005] [0.80067005 0.44514036 0.30067005] [0.69932995 0.94514036 0.69932995] [0.05485964 0.19932995 0.80067005] [0.55485964 0.80067005 0.69932995] [0.94514036 0.30067005 0.30067005] [0.69932995 0.69932995 0.94514036] [0.19932995 0.80067005 0.05485964] [0.55485964 0.69932995 0.80067005] [0.05485964 0.80067005 0.19932995] [0.19932995 0.94514036 0.19932995] [0.69932995 0.55485964 0.80067005] [0.05067005 0.05067005 0.30485964] [0.55067005 0.44932995 0.69514036] [0.05067005 0.19514036 0.44932995] [0.55067005 0.30485964 0.55067005] [0.19514036 0.05067005 0.44932995] [0.69514036 0.44932995 0.55067005] [0.94932995 0.44932995 0.80485964] [0.44932995 0.55067005 0.69514036] [0.80485964 0.44932995 0.94932995] [0.30485964 0.55067005 0.55067005] [0.94932995 0.30485964 0.94932995] [0.44932995 0.69514036 0.55067005] [0.30067005 0.80067005 0.44514036] [0.80067005 0.19932995 0.05485964] [0.80067005 0.05485964 0.19932995] [0.30067005 0.94514036 0.30067005] [0.94514036 0.19932995 0.19932995] [0.44514036 0.80067005 0.30067005] [0.80067005 0.69932995 0.55485964] [0.94514036 0.69932995 0.69932995] [0.80067005 0.55485964 0.69932995] [0.44932995 0.05067005 0.19514036] [0.44932995 0.19514036 0.05067005] [0.30485964 0.05067005 0.05067005] [0.94932995 0.94932995 0.30485964] [0.80485964 0.94932995 0.44932995] [0.94932995 0.80485964 0.44932995] [0.30067005 0.30067005 0.94514036] [0.30067005 0.44514036 0.80067005] [0.44514036 0.30067005 0.80067005]] cellpar = Cell([[34.21476914477718, 2.354840795771388e-31, 7.794979307139038e-32], [-1.3243753326793436e-31, 34.21476914477718, 5.371747858632281e-18], [-7.631559040693683e-32, 5.371747858632077e-18, 34.21476914477718]]) forces = [[-2.88181886e-30 -2.38980101e-30 2.81153060e-31] [ 3.23326019e-30 -1.75720662e-31 -2.75882935e-50] [-3.37383672e-30 2.14379208e-30 1.54634183e-30] [ 3.23326019e-30 4.49844896e-30 2.81153060e-31] [-1.79235076e-30 -2.21408035e-30 1.19490050e-30] [ 8.43459180e-31 2.46008927e-31 -3.51441325e-31] [-1.19490050e-30 2.38980101e-30 9.84035710e-31] [ 1.72206249e-30 -4.28758416e-30 -4.56873722e-31] [ 5.26002740e-05 5.26002740e-05 5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 5.26002740e-05] [-5.26002740e-05 5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 5.26002740e-05 -5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 5.26002740e-05] [-5.26002740e-05 5.26002740e-05 5.26002740e-05] [ 5.26002740e-05 5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 5.26002740e-05] [-5.26002740e-05 5.26002740e-05 5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 5.26002740e-05] [-5.26002740e-05 5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 5.26002740e-05 5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 5.26002740e-05] [-5.26002740e-05 5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 5.26002740e-05 -5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 5.26002740e-05] [ 5.26002740e-05 5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 5.26002740e-05] [-5.26002740e-05 5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 5.26002740e-05 5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [-5.26002740e-05 5.26002740e-05 5.26002740e-05] [-5.26002740e-05 5.26002740e-05 5.26002740e-05] [ 5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [ 5.26002740e-05 5.26002740e-05 5.26002740e-05] [-5.26002740e-05 -5.26002740e-05 -5.26002740e-05] [ 6.44606209e-05 6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 6.44606209e-05 1.09814875e-05] [ 6.44606209e-05 -6.44606209e-05 1.09814875e-05] [-1.09814875e-05 6.44606209e-05 6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 -6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 -1.09814875e-05 6.44606209e-05] [-6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [ 6.44606209e-05 1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 1.09814875e-05 6.44606209e-05] [ 6.44606209e-05 6.44606209e-05 1.09814875e-05] [-6.44606209e-05 -6.44606209e-05 1.09814875e-05] [ 6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 6.44606209e-05 -1.09814875e-05] [ 6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 -1.09814875e-05 6.44606209e-05] [-6.44606209e-05 1.09814875e-05 -6.44606209e-05] [ 6.44606209e-05 1.09814875e-05 6.44606209e-05] [-1.09814875e-05 6.44606209e-05 -6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 6.44606209e-05 1.09814875e-05] [ 6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 6.44606209e-05 -1.09814875e-05] [ 1.09814875e-05 6.44606209e-05 6.44606209e-05] [-1.09814875e-05 6.44606209e-05 -6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 6.44606209e-05 1.09814875e-05 6.44606209e-05] [-6.44606209e-05 -1.09814875e-05 6.44606209e-05] [ 6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 6.44606209e-05 1.09814875e-05] [ 6.44606209e-05 -6.44606209e-05 1.09814875e-05] [-6.44606209e-05 1.09814875e-05 6.44606209e-05] [ 6.44606209e-05 1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 6.44606209e-05 -6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 6.44606209e-05 1.09814875e-05] [-1.09814875e-05 6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 -1.09814875e-05 6.44606209e-05] [-6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 1.09814875e-05 6.44606209e-05] [ 6.44606209e-05 6.44606209e-05 1.09814875e-05] [-6.44606209e-05 -6.44606209e-05 1.09814875e-05] [ 6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [ 6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 1.09814875e-05 -6.44606209e-05] [ 6.44606209e-05 1.09814875e-05 6.44606209e-05] [-1.09814875e-05 6.44606209e-05 -6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 6.44606209e-05 1.09814875e-05] [ 6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [-1.09814875e-05 6.44606209e-05 -6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 6.44606209e-05 1.09814875e-05 6.44606209e-05] [ 6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 -6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 6.44606209e-05 1.09814875e-05] [-6.44606209e-05 1.09814875e-05 6.44606209e-05] [-6.44606209e-05 -1.09814875e-05 -6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 6.44606209e-05 -1.09814875e-05] [ 6.44606209e-05 -6.44606209e-05 1.09814875e-05] [-1.09814875e-05 6.44606209e-05 6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 -1.09814875e-05 6.44606209e-05] [ 6.44606209e-05 1.09814875e-05 -6.44606209e-05] [-6.44606209e-05 -6.44606209e-05 1.09814875e-05] [-6.44606209e-05 6.44606209e-05 -1.09814875e-05] [-6.44606209e-05 -1.09814875e-05 6.44606209e-05] [-6.44606209e-05 1.09814875e-05 -6.44606209e-05] [ 1.09814875e-05 6.44606209e-05 6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 -6.44606209e-05] [-6.44606209e-05 6.44606209e-05 -1.09814875e-05] [ 1.09814875e-05 6.44606209e-05 6.44606209e-05] [-6.44606209e-05 -1.09814875e-05 6.44606209e-05] [ 6.44606209e-05 -6.44606209e-05 1.09814875e-05] [ 6.44606209e-05 1.09814875e-05 -6.44606209e-05] [-1.09814875e-05 -6.44606209e-05 -6.44606209e-05] [ 6.44606209e-05 6.44606209e-05 -1.09814875e-05] [-1.09814875e-05 6.44606209e-05 6.44606209e-05] [ 6.44606209e-05 -1.09814875e-05 6.44606209e-05] [-6.44606209e-05 -6.44606209e-05 1.09814875e-05] [-6.44606209e-05 1.09814875e-05 -6.44606209e-05] [ 1.09814875e-05 -6.44606209e-05 -6.44606209e-05]] stress = [ 3.63210713e-04 3.63210713e-04 3.63210713e-04 -1.21482326e-21 1.40388640e-35 1.98908397e-52] energy per atom = -10.202748875306105 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0