element(s): ['Si'] AFLOW prototype label: A_hP68_194_ef2h2kl Parameter names: ['a', 'c/a', 'z1', 'z2', 'x3', 'x4', 'x5', 'z5', 'x6', 'z6', 'x7', 'y7', 'z7'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.4152', '1.6357247', '0.31830311', '0.81966704', '0.46519346', '0.20236843', '0.54218647', '0.36473096', '0.87644393', '0.86132444', '0.33059886', '0.28059813', '0.064561489'] model name: Sim_LAMMPS_Vashishta_VashishtaKaliaRino_1990_SiO__SM_887826436433_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0.31830311] [0.33333333 0.66666667 0.31966704] [0.53480654 0.06961308 0.25 ] [0.79763157 0.59526314 0.25 ] [0.54218647 0.08437294 0.63526904] [0.87644393 0.75288786 0.13867556] [0.28059813 0.94999927 0.06456149]] spacegroup = 194 cell = [[10.4152, 0, 0], [-5.2076, 9.0198277854957, 0], [0, 0, 17.0364]] ========================================= Step Time Energy fmax BFGS: 0 14:47:04 4743.319622 76.691332 BFGS: 1 14:47:04 4731.386158 76.456656 BFGS: 2 14:47:04 4719.619800 76.225066 BFGS: 3 14:47:04 4707.980319 75.995310 BFGS: 4 14:47:04 4696.441778 75.767729 BFGS: 5 14:47:04 4684.988236 75.541767 BFGS: 6 14:47:04 4673.609625 75.317043 BFGS: 7 14:47:04 4662.297662 75.093350 BFGS: 8 14:47:05 4651.046638 74.870438 BFGS: 9 14:47:05 4639.852615 74.648524 BFGS: 10 14:47:05 4628.711814 74.427551 BFGS: 11 14:47:05 4617.621140 74.207315 BFGS: 12 14:47:05 4606.577430 73.988364 BFGS: 13 14:47:05 4595.576856 73.771096 BFGS: 14 14:47:06 4584.618414 73.554438 BFGS: 15 14:47:06 4573.700265 73.338886 BFGS: 16 14:47:06 4562.820770 73.124881 BFGS: 17 14:47:06 4551.977394 72.913306 BFGS: 18 14:47:06 4541.170436 72.702597 BFGS: 19 14:47:07 4530.398327 72.492907 BFGS: 20 14:47:07 4519.659226 72.283851 BFGS: 21 14:47:08 4508.952637 72.075304 BFGS: 22 14:47:08 4498.278289 71.867719 BFGS: 23 14:47:08 4487.635001 71.660692 BFGS: 24 14:47:08 4477.022763 71.454354 BFGS: 25 14:47:09 4466.441485 71.248786 BFGS: 26 14:47:09 4455.891059 71.044537 BFGS: 27 14:47:09 4445.372921 70.841263 BFGS: 28 14:47:09 4434.887579 70.639363 BFGS: 29 14:47:09 4424.433193 70.438301 BFGS: 30 14:47:09 4414.008572 70.237814 BFGS: 31 14:47:10 4403.613332 70.037800 BFGS: 32 14:47:10 4393.247047 69.838233 BFGS: 33 14:47:10 4382.909690 69.639107 BFGS: 34 14:47:10 4372.601222 69.440414 BFGS: 35 14:47:10 4362.321592 69.242150 BFGS: 36 14:47:11 4352.070729 69.044316 BFGS: 37 14:47:11 4341.848006 68.847038 BFGS: 38 14:47:11 4331.652869 68.650332 BFGS: 39 14:47:11 4321.485085 68.454165 BFGS: 40 14:47:11 4311.343463 68.258856 BFGS: 41 14:47:11 4301.228442 68.063832 BFGS: 42 14:47:11 4291.139543 67.869287 BFGS: 43 14:47:11 4281.076094 67.675134 BFGS: 44 14:47:11 4271.037662 67.481295 BFGS: 45 14:47:11 4261.023961 67.287769 BFGS: 46 14:47:11 4251.034711 67.094555 BFGS: 47 14:47:12 4241.069634 66.901650 BFGS: 48 14:47:12 4231.128441 66.709052 BFGS: 49 14:47:12 4221.210828 66.516755 BFGS: 50 14:47:12 4211.316467 66.324757 BFGS: 51 14:47:12 4201.445001 66.133050 BFGS: 52 14:47:12 4191.596036 65.941712 BFGS: 53 14:47:12 4181.769227 65.751242 BFGS: 54 14:47:12 4171.964898 65.561059 BFGS: 55 14:47:12 4162.182533 65.371152 BFGS: 56 14:47:12 4152.421546 65.181508 BFGS: 57 14:47:12 4142.681269 64.992113 BFGS: 58 14:47:12 4132.960955 64.802954 BFGS: 59 14:47:12 4123.259769 64.614012 BFGS: 60 14:47:13 4113.576793 64.425272 BFGS: 61 14:47:13 4103.910994 64.237550 BFGS: 62 14:47:13 4094.262613 64.050470 BFGS: 63 14:47:14 4084.631202 63.863803 BFGS: 64 14:47:14 4075.015303 63.677554 BFGS: 65 14:47:14 4065.413414 63.491494 BFGS: 66 14:47:14 4055.824081 63.305587 BFGS: 67 14:47:14 4046.245792 63.119798 BFGS: 68 14:47:14 4036.676982 62.934132 BFGS: 69 14:47:14 4027.115051 62.748665 BFGS: 70 14:47:15 4017.556098 62.563316 BFGS: 71 14:47:15 4007.997031 62.378018 BFGS: 72 14:47:15 3998.434940 62.192669 BFGS: 73 14:47:15 3988.868740 62.008153 BFGS: 74 14:47:15 3979.297691 61.823556 BFGS: 75 14:47:16 3969.720881 61.638771 BFGS: 76 14:47:16 3960.137647 61.453775 BFGS: 77 14:47:16 3950.547531 61.269502 BFGS: 78 14:47:16 3940.950753 61.087334 BFGS: 79 14:47:16 3931.350664 60.905033 BFGS: 80 14:47:17 3921.747152 60.722503 BFGS: 81 14:47:17 3912.138970 60.541917 BFGS: 82 14:47:17 3902.526943 60.365386 BFGS: 83 14:47:17 3892.917163 60.190313 BFGS: 84 14:47:17 3883.312551 60.015059 BFGS: 85 14:47:18 3873.712949 59.840177 BFGS: 86 14:47:18 3864.115713 59.666846 BFGS: 87 14:47:18 3854.520929 59.494498 BFGS: 88 14:47:18 3844.923636 59.321669 BFGS: 89 14:47:18 3835.325151 59.148396 BFGS: 90 14:47:18 3825.727058 58.974706 BFGS: 91 14:47:18 3816.131188 58.800625 BFGS: 92 14:47:19 3806.539494 58.626550 BFGS: 93 14:47:19 3796.952199 58.453626 BFGS: 94 14:47:19 3787.369480 58.280395 BFGS: 95 14:47:19 3777.793741 58.108066 BFGS: 96 14:47:19 3768.228521 57.936738 BFGS: 97 14:47:19 3758.676808 57.766073 BFGS: 98 14:47:19 3749.137276 57.595986 BFGS: 99 14:47:20 3739.611635 57.428309 BFGS: 100 14:47:20 3730.106711 57.261929 BFGS: 101 14:47:20 3720.627756 57.095890 BFGS: 102 14:47:20 3711.175735 56.929719 BFGS: 103 14:47:20 3701.753425 56.763341 BFGS: 104 14:47:20 3692.362744 56.598340 BFGS: 105 14:47:20 3683.006685 56.434699 BFGS: 106 14:47:20 3673.689377 56.270847 BFGS: 107 14:47:20 3664.411694 56.106771 BFGS: 108 14:47:20 3655.174342 55.944337 BFGS: 109 14:47:20 3645.982754 55.783211 BFGS: 110 14:47:20 3636.838906 55.624126 BFGS: 111 14:47:20 3627.743547 55.466229 BFGS: 112 14:47:20 3618.698573 55.310323 BFGS: 113 14:47:20 3609.708455 55.154342 BFGS: 114 14:47:21 3600.774030 54.999588 BFGS: 115 14:47:21 3591.897062 54.847535 BFGS: 116 14:47:21 3583.081107 54.695531 BFGS: 117 14:47:21 3574.326190 54.546227 BFGS: 118 14:47:21 3565.635168 54.399424 BFGS: 119 14:47:21 3557.007563 54.253208 BFGS: 120 14:47:21 3548.442955 54.107665 BFGS: 121 14:47:21 3539.937741 53.962447 BFGS: 122 14:47:21 3531.488693 53.817519 BFGS: 123 14:47:21 3523.094374 53.672713 BFGS: 124 14:47:21 3514.754561 53.528516 BFGS: 125 14:47:21 3506.467422 53.385115 BFGS: 126 14:47:21 3498.230962 53.241788 BFGS: 127 14:47:21 3490.044761 53.098549 BFGS: 128 14:47:21 3481.908289 52.955407 BFGS: 129 14:47:21 3473.820925 52.812507 BFGS: 130 14:47:21 3465.781695 52.673264 BFGS: 131 14:47:22 3457.793287 52.534126 BFGS: 132 14:47:22 3449.854730 52.395109 BFGS: 133 14:47:22 3441.964987 52.256553 BFGS: 134 14:47:22 3434.123371 52.118375 BFGS: 135 14:47:22 3426.329057 51.980342 BFGS: 136 14:47:22 3418.580419 51.842455 BFGS: 137 14:47:22 3410.875770 51.704791 BFGS: 138 14:47:22 3403.213374 51.567327 BFGS: 139 14:47:22 3395.591803 51.430026 BFGS: 140 14:47:22 3388.009823 51.293363 BFGS: 141 14:47:22 3380.464293 51.157280 BFGS: 142 14:47:22 3372.953390 51.021347 BFGS: 143 14:47:23 3365.476225 50.885888 BFGS: 144 14:47:23 3358.031438 50.751015 BFGS: 145 14:47:23 3350.617724 50.616441 BFGS: 146 14:47:23 3343.233803 50.482214 BFGS: 147 14:47:23 3335.878084 50.348653 BFGS: 148 14:47:23 3328.549423 50.215163 BFGS: 149 14:47:23 3321.247219 50.081736 BFGS: 150 14:47:23 3313.970820 49.948372 BFGS: 151 14:47:23 3306.719530 49.815291 BFGS: 152 14:47:23 3299.492039 49.682194 BFGS: 153 14:47:23 3292.287344 49.549124 BFGS: 154 14:47:23 3285.104710 49.416644 BFGS: 155 14:47:23 3277.944038 49.284130 BFGS: 156 14:47:23 3270.804470 49.151571 BFGS: 157 14:47:23 3263.685180 49.018956 BFGS: 158 14:47:23 3256.585369 48.886271 BFGS: 159 14:47:23 3249.504259 48.753519 BFGS: 160 14:47:23 3242.441020 48.620798 BFGS: 161 14:47:23 3235.394045 48.487953 BFGS: 162 14:47:23 3228.362593 48.355003 BFGS: 163 14:47:24 3221.345979 48.222136 BFGS: 164 14:47:24 3214.343647 48.089136 BFGS: 165 14:47:24 3207.354902 47.955986 BFGS: 166 14:47:24 3200.377919 47.822649 BFGS: 167 14:47:24 3193.411246 47.689412 BFGS: 168 14:47:24 3186.453924 47.556443 BFGS: 169 14:47:24 3179.503039 47.423191 BFGS: 170 14:47:24 3172.557658 47.289626 BFGS: 171 14:47:24 3165.616958 47.155916 BFGS: 172 14:47:24 3158.680159 47.030652 BFGS: 173 14:47:24 3151.746519 46.905485 BFGS: 174 14:47:24 3144.815215 46.780336 BFGS: 175 14:47:24 3137.885493 46.655104 BFGS: 176 14:47:24 3130.956661 46.529830 BFGS: 177 14:47:24 3124.042162 46.404736 BFGS: 178 14:47:24 3117.145125 46.279856 BFGS: 179 14:47:24 3110.265518 46.155186 BFGS: 180 14:47:24 3103.403353 46.030724 BFGS: 181 14:47:24 3096.558682 45.906467 BFGS: 182 14:47:24 3089.731602 45.782413 BFGS: 183 14:47:24 3082.922245 45.658558 BFGS: 184 14:47:24 3076.130772 45.535117 BFGS: 185 14:47:24 3069.357328 45.412823 BFGS: 186 14:47:24 3062.602196 45.291495 BFGS: 187 14:47:24 3055.865143 45.172270 BFGS: 188 14:47:24 3049.146780 45.053244 BFGS: 189 14:47:25 3042.447145 44.934414 BFGS: 190 14:47:25 3035.766335 44.815777 BFGS: 191 14:47:25 3029.104471 44.697518 BFGS: 192 14:47:25 3022.461409 44.580652 BFGS: 193 14:47:25 3015.837992 44.464452 BFGS: 194 14:47:25 3009.234252 44.348555 BFGS: 195 14:47:25 3002.650111 44.232783 BFGS: 196 14:47:25 2996.085418 44.117832 BFGS: 197 14:47:25 2989.540427 44.004025 BFGS: 198 14:47:25 2983.015927 43.890316 BFGS: 199 14:47:25 2976.511518 43.776694 BFGS: 200 14:47:25 2970.026255 43.663665 BFGS: 201 14:47:25 2963.555518 43.551222 BFGS: 202 14:47:25 2957.096096 43.439180 BFGS: 203 14:47:25 2950.647231 43.327910 BFGS: 204 14:47:25 2944.208758 43.216647 BFGS: 205 14:47:25 2937.780345 43.105368 BFGS: 206 14:47:25 2931.361453 42.994660 BFGS: 207 14:47:25 2924.949265 42.884219 BFGS: 208 14:47:25 2918.542347 42.774589 BFGS: 209 14:47:25 2912.138573 42.664952 BFGS: 210 14:47:25 2905.735035 42.555453 BFGS: 211 14:47:25 2899.330724 42.446861 BFGS: 212 14:47:25 2892.924579 42.338039 BFGS: 213 14:47:25 2886.516187 42.228955 BFGS: 214 14:47:25 2880.105033 42.119907 BFGS: 215 14:47:25 2873.690031 42.011544 BFGS: 216 14:47:25 2867.271050 41.903548 BFGS: 217 14:47:25 2860.848404 41.795253 BFGS: 218 14:47:26 2854.421757 41.686545 BFGS: 219 14:47:26 2847.990753 41.577581 BFGS: 220 14:47:26 2841.554761 41.468524 BFGS: 221 14:47:26 2835.113527 41.359226 BFGS: 222 14:47:26 2828.666912 41.249486 BFGS: 223 14:47:26 2822.214294 41.140540 BFGS: 224 14:47:26 2815.755957 41.031967 BFGS: 225 14:47:26 2809.292614 40.922913 BFGS: 226 14:47:26 2802.824128 40.813367 BFGS: 227 14:47:26 2796.350719 40.703408 BFGS: 228 14:47:26 2789.872746 40.593008 BFGS: 229 14:47:26 2783.390699 40.482128 BFGS: 230 14:47:26 2776.905219 40.370776 BFGS: 231 14:47:26 2770.417030 40.258965 BFGS: 232 14:47:26 2763.926949 40.146729 BFGS: 233 14:47:26 2757.435838 40.034383 BFGS: 234 14:47:26 2750.944829 39.921607 BFGS: 235 14:47:26 2744.454682 39.808778 BFGS: 236 14:47:26 2737.964791 39.696403 BFGS: 237 14:47:26 2731.474777 39.583761 BFGS: 238 14:47:26 2724.986012 39.472196 BFGS: 239 14:47:26 2718.499462 39.361651 BFGS: 240 14:47:26 2712.017054 39.251398 BFGS: 241 14:47:26 2705.540527 39.141142 BFGS: 242 14:47:26 2699.071391 39.030967 BFGS: 243 14:47:26 2692.610813 38.920779 BFGS: 244 14:47:26 2686.160669 38.811944 BFGS: 245 14:47:26 2679.723994 38.704127 BFGS: 246 14:47:26 2673.303331 38.596258 BFGS: 247 14:47:26 2666.899968 38.488700 BFGS: 248 14:47:26 2660.515233 38.381433 BFGS: 249 14:47:27 2654.150451 38.274270 BFGS: 250 14:47:27 2647.806720 38.168589 BFGS: 251 14:47:27 2641.485287 38.063348 BFGS: 252 14:47:27 2635.187356 37.958288 BFGS: 253 14:47:27 2628.913994 37.853442 BFGS: 254 14:47:27 2622.666610 37.749380 BFGS: 255 14:47:27 2616.450304 37.647174 BFGS: 256 14:47:27 2610.272400 37.545628 BFGS: 257 14:47:27 2604.132297 37.445401 BFGS: 258 14:47:27 2598.027959 37.345909 BFGS: 259 14:47:27 2591.958208 37.246833 BFGS: 260 14:47:27 2585.922199 37.148164 BFGS: 261 14:47:27 2579.919039 37.050371 BFGS: 262 14:47:27 2573.947800 36.957815 BFGS: 263 14:47:27 2568.007510 36.864892 BFGS: 264 14:47:27 2562.096872 36.771590 BFGS: 265 14:47:27 2556.214699 36.677877 BFGS: 266 14:47:27 2550.359526 36.584175 BFGS: 267 14:47:27 2544.529263 36.490830 BFGS: 268 14:47:27 2538.723681 36.397380 BFGS: 269 14:47:27 2532.942414 36.303498 BFGS: 270 14:47:27 2527.184734 36.209196 BFGS: 271 14:47:28 2521.449917 36.114491 BFGS: 272 14:47:28 2515.737251 36.019397 BFGS: 273 14:47:28 2510.046040 35.924006 BFGS: 274 14:47:28 2504.375856 35.829152 BFGS: 275 14:47:28 2498.726636 35.734287 BFGS: 276 14:47:28 2493.097249 35.639064 BFGS: 277 14:47:28 2487.487012 35.545614 BFGS: 278 14:47:28 2481.895273 35.454387 BFGS: 279 14:47:28 2476.321356 35.363620 BFGS: 280 14:47:28 2470.764997 35.273038 BFGS: 281 14:47:28 2465.225739 35.182766 BFGS: 282 14:47:28 2459.705318 35.093377 BFGS: 283 14:47:28 2454.211176 35.004217 BFGS: 284 14:47:28 2448.742855 34.915280 BFGS: 285 14:47:28 2443.299977 34.826561 BFGS: 286 14:47:28 2437.882210 34.738054 BFGS: 287 14:47:28 2432.489255 34.649754 BFGS: 288 14:47:28 2427.120833 34.561654 BFGS: 289 14:47:28 2421.776672 34.473749 BFGS: 290 14:47:28 2416.456497 34.386419 BFGS: 291 14:47:28 2411.160069 34.299749 BFGS: 292 14:47:28 2405.885944 34.213270 BFGS: 293 14:47:29 2400.633949 34.127490 BFGS: 294 14:47:29 2395.403570 34.042919 BFGS: 295 14:47:29 2390.194101 33.958522 BFGS: 296 14:47:29 2385.005212 33.874259 BFGS: 297 14:47:29 2379.836637 33.790203 BFGS: 298 14:47:29 2374.688089 33.706625 BFGS: 299 14:47:29 2369.559536 33.623171 BFGS: 300 14:47:29 2364.450415 33.540259 BFGS: 301 14:47:29 2359.359367 33.457517 BFGS: 302 14:47:29 2354.285902 33.374867 BFGS: 303 14:47:29 2349.229630 33.292302 BFGS: 304 14:47:29 2344.190130 33.209819 BFGS: 305 14:47:29 2339.166719 33.127410 BFGS: 306 14:47:29 2334.158428 33.045187 BFGS: 307 14:47:29 2329.164650 32.964526 BFGS: 308 14:47:29 2324.185371 32.884075 BFGS: 309 14:47:29 2319.220059 32.803686 BFGS: 310 14:47:29 2314.268089 32.723346 BFGS: 311 14:47:29 2309.328775 32.643589 BFGS: 312 14:47:29 2304.401572 32.563869 BFGS: 313 14:47:29 2299.485777 32.484155 BFGS: 314 14:47:29 2294.580651 32.404989 BFGS: 315 14:47:29 2289.685756 32.325836 BFGS: 316 14:47:29 2284.800230 32.246832 BFGS: 317 14:47:30 2279.922262 32.167840 BFGS: 318 14:47:30 2275.050915 32.088785 BFGS: 319 14:47:30 2270.185523 32.009653 BFGS: 320 14:47:30 2265.325416 31.930426 BFGS: 321 14:47:30 2260.469923 31.851090 BFGS: 322 14:47:30 2255.618374 31.771629 BFGS: 323 14:47:30 2250.770104 31.692026 BFGS: 324 14:47:30 2245.924462 31.612279 BFGS: 325 14:47:30 2241.080818 31.532452 BFGS: 326 14:47:30 2236.238597 31.452435 BFGS: 327 14:47:30 2231.397204 31.372212 BFGS: 328 14:47:30 2226.556082 31.291771 BFGS: 329 14:47:30 2221.714715 31.211229 BFGS: 330 14:47:30 2216.872416 31.131244 BFGS: 331 14:47:30 2212.028375 31.051014 BFGS: 332 14:47:30 2207.182305 30.971032 BFGS: 333 14:47:30 2202.333662 30.892039 BFGS: 334 14:47:30 2197.481538 30.812922 BFGS: 335 14:47:31 2192.625558 30.733507 BFGS: 336 14:47:31 2187.765598 30.653789 BFGS: 337 14:47:31 2182.901582 30.573765 BFGS: 338 14:47:31 2178.033467 30.493432 BFGS: 339 14:47:31 2173.161240 30.412788 BFGS: 340 14:47:31 2168.284914 30.331834 BFGS: 341 14:47:31 2163.404531 30.250569 BFGS: 342 14:47:31 2158.519988 30.170130 BFGS: 343 14:47:31 2153.631691 30.090878 BFGS: 344 14:47:31 2148.739404 30.011610 BFGS: 345 14:47:31 2143.843255 29.932051 BFGS: 346 14:47:31 2138.943476 29.852201 BFGS: 347 14:47:31 2134.040324 29.772063 BFGS: 348 14:47:31 2129.134087 29.691752 BFGS: 349 14:47:31 2124.225011 29.612177 BFGS: 350 14:47:31 2119.313724 29.532604 BFGS: 351 14:47:31 2114.400756 29.452775 BFGS: 352 14:47:32 2109.486555 29.372694 BFGS: 353 14:47:32 2104.571623 29.292368 BFGS: 354 14:47:32 2099.656520 29.211804 BFGS: 355 14:47:32 2094.741857 29.131086 BFGS: 356 14:47:32 2089.828175 29.050575 BFGS: 357 14:47:32 2084.916089 28.969955 BFGS: 358 14:47:32 2080.006205 28.890938 BFGS: 359 14:47:32 2075.099721 28.812713 BFGS: 360 14:47:32 2070.197769 28.734329 BFGS: 361 14:47:32 2065.301065 28.655916 BFGS: 362 14:47:32 2060.410384 28.577642 BFGS: 363 14:47:32 2055.526267 28.500251 BFGS: 364 14:47:32 2050.650373 28.424559 BFGS: 365 14:47:32 2045.783640 28.348714 BFGS: 366 14:47:32 2040.927027 28.272558 BFGS: 367 14:47:32 2036.081630 28.196081 BFGS: 368 14:47:32 2031.248577 28.119952 BFGS: 369 14:47:32 2026.428457 28.045395 BFGS: 370 14:47:33 2021.622100 27.970456 BFGS: 371 14:47:33 2016.830397 27.897140 BFGS: 372 14:47:33 2012.058430 27.825811 BFGS: 373 14:47:33 2007.310542 27.757289 BFGS: 374 14:47:33 2002.589215 27.688535 BFGS: 375 14:47:33 1997.895335 27.619652 BFGS: 376 14:47:33 1993.229282 27.550848 BFGS: 377 14:47:33 1988.591305 27.482437 BFGS: 378 14:47:33 1983.981426 27.416137 BFGS: 379 14:47:33 1979.400955 27.349619 BFGS: 380 14:47:33 1974.850560 27.282782 BFGS: 381 14:47:33 1970.330631 27.217725 BFGS: 382 14:47:33 1965.840955 27.153730 BFGS: 383 14:47:33 1961.382382 27.089960 BFGS: 384 14:47:33 1956.955860 27.027041 BFGS: 385 14:47:33 1952.560606 26.965016 BFGS: 386 14:47:33 1948.196567 26.902690 BFGS: 387 14:47:33 1943.864200 26.840062 BFGS: 388 14:47:33 1939.563827 26.777566 BFGS: 389 14:47:34 1935.295825 26.715199 BFGS: 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8.394559 0.257225 BFGS: 2927 14:50:23 8.356665 0.256544 BFGS: 2928 14:50:23 8.318877 0.255862 BFGS: 2929 14:50:24 8.281198 0.255182 BFGS: 2930 14:50:24 8.243625 0.254501 BFGS: 2931 14:50:24 8.206160 0.253821 BFGS: 2932 14:50:24 8.168802 0.253141 BFGS: 2933 14:50:24 8.131550 0.252462 BFGS: 2934 14:50:24 8.094405 0.251783 BFGS: 2935 14:50:24 8.057368 0.251105 BFGS: 2936 14:50:24 8.020436 0.250427 BFGS: 2937 14:50:24 7.983611 0.249750 BFGS: 2938 14:50:24 7.946892 0.249073 BFGS: 2939 14:50:24 7.910280 0.248396 BFGS: 2940 14:50:25 7.873773 0.247720 BFGS: 2941 14:50:25 7.837372 0.247045 BFGS: 2942 14:50:25 7.801078 0.246370 BFGS: 2943 14:50:25 7.764888 0.245695 BFGS: 2944 14:50:25 7.728805 0.245021 BFGS: 2945 14:50:25 7.692827 0.244347 BFGS: 2946 14:50:25 7.656954 0.243674 BFGS: 2947 14:50:25 7.621187 0.243001 BFGS: 2948 14:50:25 7.585525 0.242329 BFGS: 2949 14:50:25 7.549968 0.241658 BFGS: 2950 14:50:26 7.514515 0.240986 BFGS: 2951 14:50:26 7.479168 0.240316 BFGS: 2952 14:50:26 7.443925 0.239646 BFGS: 2953 14:50:26 7.408787 0.238976 BFGS: 2954 14:50:26 7.373754 0.238307 BFGS: 2955 14:50:26 7.338825 0.237638 BFGS: 2956 14:50:26 7.304001 0.236970 BFGS: 2957 14:50:26 7.269281 0.236303 BFGS: 2958 14:50:26 7.234665 0.235636 BFGS: 2959 14:50:26 7.200154 0.234969 BFGS: 2960 14:50:26 7.165747 0.234304 BFGS: 2961 14:50:26 7.131444 0.233639 BFGS: 2962 14:50:26 7.097246 0.232974 BFGS: 2963 14:50:27 7.063151 0.232310 BFGS: 2964 14:50:27 7.029160 0.231647 BFGS: 2965 14:50:27 6.995272 0.230984 BFGS: 2966 14:50:27 6.961489 0.230321 BFGS: 2967 14:50:27 6.927809 0.229660 BFGS: 2968 14:50:27 6.894232 0.228999 BFGS: 2969 14:50:27 6.860759 0.228338 BFGS: 2970 14:50:27 6.827389 0.227678 BFGS: 2971 14:50:27 6.794123 0.227019 BFGS: 2972 14:50:27 6.760959 0.226360 BFGS: 2973 14:50:27 6.727899 0.225702 BFGS: 2974 14:50:27 6.694941 0.225044 BFGS: 2975 14:50:27 6.662086 0.224387 BFGS: 2976 14:50:27 6.629334 0.223730 BFGS: 2977 14:50:27 6.596685 0.223074 BFGS: 2978 14:50:27 6.564138 0.222419 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4.981400 0.189714 BFGS: 3032 14:50:30 4.954149 0.189113 BFGS: 3033 14:50:30 4.926992 0.188512 BFGS: 3034 14:50:31 4.899931 0.187911 BFGS: 3035 14:50:31 4.872965 0.187317 BFGS: 3036 14:50:31 4.846094 0.186726 BFGS: 3037 14:50:31 4.819318 0.186134 BFGS: 3038 14:50:31 4.792636 0.185543 BFGS: 3039 14:50:31 4.766050 0.184953 BFGS: 3040 14:50:31 4.739558 0.184362 BFGS: 3041 14:50:31 4.713161 0.183772 BFGS: 3042 14:50:31 4.686859 0.183181 BFGS: 3043 14:50:31 4.660651 0.182592 BFGS: 3044 14:50:31 4.634537 0.182002 BFGS: 3045 14:50:31 4.608518 0.181412 BFGS: 3046 14:50:31 4.582592 0.180823 BFGS: 3047 14:50:31 4.556761 0.180234 BFGS: 3048 14:50:31 4.531024 0.179646 BFGS: 3049 14:50:31 4.505381 0.179057 BFGS: 3050 14:50:31 4.479831 0.178469 BFGS: 3051 14:50:31 4.454375 0.177881 BFGS: 3052 14:50:31 4.429013 0.177293 BFGS: 3053 14:50:31 4.403745 0.176706 BFGS: 3054 14:50:32 4.378570 0.176119 BFGS: 3055 14:50:32 4.353488 0.175532 BFGS: 3056 14:50:32 4.328500 0.174946 BFGS: 3057 14:50:32 4.303605 0.174360 BFGS: 3058 14:50:32 4.278803 0.173774 BFGS: 3059 14:50:32 4.254095 0.173188 BFGS: 3060 14:50:32 4.229479 0.172603 BFGS: 3061 14:50:32 4.204957 0.172018 BFGS: 3062 14:50:32 4.180527 0.171433 BFGS: 3063 14:50:32 4.156191 0.170849 BFGS: 3064 14:50:32 4.131947 0.170264 BFGS: 3065 14:50:32 4.107796 0.169681 BFGS: 3066 14:50:32 4.083737 0.169097 BFGS: 3067 14:50:32 4.059771 0.168514 BFGS: 3068 14:50:32 4.035898 0.167931 BFGS: 3069 14:50:32 4.012117 0.167348 BFGS: 3070 14:50:32 3.988429 0.166766 BFGS: 3071 14:50:33 3.964833 0.166184 BFGS: 3072 14:50:33 3.941329 0.165602 BFGS: 3073 14:50:33 3.917918 0.165021 BFGS: 3074 14:50:33 3.894599 0.164440 BFGS: 3075 14:50:33 3.871372 0.163859 BFGS: 3076 14:50:33 3.848237 0.163279 BFGS: 3077 14:50:33 3.825193 0.162698 BFGS: 3078 14:50:33 3.802242 0.162119 BFGS: 3079 14:50:33 3.779383 0.161539 BFGS: 3080 14:50:33 3.756616 0.160960 BFGS: 3081 14:50:33 3.733940 0.160381 BFGS: 3082 14:50:33 3.711356 0.159802 BFGS: 3083 14:50:33 3.688864 0.159224 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14:50:34 3.116016 0.143733 BFGS: 3111 14:50:35 3.096068 0.143164 BFGS: 3112 14:50:35 3.076210 0.142595 BFGS: 3113 14:50:35 3.056442 0.142026 BFGS: 3114 14:50:35 3.036764 0.141468 BFGS: 3115 14:50:35 3.017173 0.140915 BFGS: 3116 14:50:35 2.997671 0.140362 BFGS: 3117 14:50:35 2.978256 0.139809 BFGS: 3118 14:50:35 2.958930 0.139256 BFGS: 3119 14:50:35 2.939691 0.138704 BFGS: 3120 14:50:35 2.920540 0.138151 BFGS: 3121 14:50:35 2.901475 0.137599 BFGS: 3122 14:50:35 2.882498 0.137047 BFGS: 3123 14:50:35 2.863608 0.136496 BFGS: 3124 14:50:35 2.844805 0.135944 BFGS: 3125 14:50:35 2.826088 0.135393 BFGS: 3126 14:50:35 2.807458 0.134842 BFGS: 3127 14:50:35 2.788914 0.134291 BFGS: 3128 14:50:35 2.770457 0.133740 BFGS: 3129 14:50:35 2.752085 0.133190 BFGS: 3130 14:50:35 2.733800 0.132640 BFGS: 3131 14:50:35 2.715600 0.132089 BFGS: 3132 14:50:36 2.697487 0.131540 BFGS: 3133 14:50:36 2.679459 0.130990 BFGS: 3134 14:50:36 2.661516 0.130441 BFGS: 3135 14:50:36 2.643659 0.129891 BFGS: 3136 14:50:36 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14:50:39 1.481651 0.087973 BFGS: 3216 14:50:39 1.470204 0.087499 BFGS: 3217 14:50:39 1.458823 0.087027 BFGS: 3218 14:50:39 1.447508 0.086555 BFGS: 3219 14:50:39 1.436259 0.086084 BFGS: 3220 14:50:40 1.425076 0.085614 BFGS: 3221 14:50:40 1.413957 0.085145 BFGS: 3222 14:50:40 1.402904 0.084677 BFGS: 3223 14:50:40 1.391916 0.084209 BFGS: 3224 14:50:40 1.380992 0.083743 BFGS: 3225 14:50:40 1.370132 0.083277 BFGS: 3226 14:50:40 1.359336 0.082812 BFGS: 3227 14:50:40 1.348603 0.082348 BFGS: 3228 14:50:40 1.337934 0.081885 BFGS: 3229 14:50:40 1.327327 0.081422 BFGS: 3230 14:50:40 1.316784 0.080960 BFGS: 3231 14:50:40 1.306302 0.080500 BFGS: 3232 14:50:40 1.295883 0.080040 BFGS: 3233 14:50:40 1.285526 0.079580 BFGS: 3234 14:50:40 1.275230 0.079122 BFGS: 3235 14:50:40 1.264996 0.078665 BFGS: 3236 14:50:40 1.254823 0.078208 BFGS: 3237 14:50:40 1.244711 0.077755 BFGS: 3238 14:50:40 1.234659 0.077304 BFGS: 3239 14:50:40 1.224667 0.076854 BFGS: 3240 14:50:40 1.214735 0.076405 BFGS: 3241 14:50:41 1.204862 0.075956 BFGS: 3242 14:50:41 1.195049 0.075509 BFGS: 3243 14:50:41 1.185295 0.075062 BFGS: 3244 14:50:41 1.175600 0.074617 BFGS: 3245 14:50:41 1.165964 0.074172 BFGS: 3246 14:50:41 1.156385 0.073728 BFGS: 3247 14:50:41 1.146865 0.073285 BFGS: 3248 14:50:41 1.137403 0.072842 BFGS: 3249 14:50:41 1.127998 0.072401 BFGS: 3250 14:50:41 1.118651 0.071960 BFGS: 3251 14:50:41 1.109360 0.071549 BFGS: 3252 14:50:41 1.100123 0.071170 BFGS: 3253 14:50:41 1.090938 0.070791 BFGS: 3254 14:50:41 1.081807 0.070413 BFGS: 3255 14:50:41 1.072728 0.070036 BFGS: 3256 14:50:41 1.063701 0.069659 BFGS: 3257 14:50:41 1.054727 0.069282 BFGS: 3258 14:50:41 1.045805 0.068906 BFGS: 3259 14:50:41 1.036934 0.068531 BFGS: 3260 14:50:41 1.028116 0.068156 BFGS: 3261 14:50:41 1.019348 0.067975 BFGS: 3262 14:50:41 1.010633 0.068070 BFGS: 3263 14:50:41 1.001968 0.068163 BFGS: 3264 14:50:41 0.993354 0.068253 BFGS: 3265 14:50:41 0.984792 0.068342 BFGS: 3266 14:50:42 0.976280 0.068429 BFGS: 3267 14:50:42 0.967818 0.068515 BFGS: 3268 14:50:42 0.959407 0.068598 BFGS: 3269 14:50:42 0.951047 0.068680 BFGS: 3270 14:50:42 0.942736 0.068760 BFGS: 3271 14:50:42 0.934475 0.068838 BFGS: 3272 14:50:42 0.926265 0.068916 BFGS: 3273 14:50:42 0.918103 0.068991 BFGS: 3274 14:50:42 0.909992 0.069066 BFGS: 3275 14:50:42 0.901930 0.069138 BFGS: 3276 14:50:42 0.893917 0.069210 BFGS: 3277 14:50:42 0.885953 0.069281 BFGS: 3278 14:50:42 0.878038 0.069350 BFGS: 3279 14:50:42 0.870172 0.069418 BFGS: 3280 14:50:42 0.862355 0.069485 BFGS: 3281 14:50:43 0.854586 0.069552 BFGS: 3282 14:50:43 0.846866 0.069617 BFGS: 3283 14:50:43 0.839193 0.069377 BFGS: 3284 14:50:43 0.831564 0.069179 BFGS: 3285 14:50:43 0.823977 0.069739 BFGS: 3286 14:50:43 0.816433 0.070290 BFGS: 3287 14:50:43 0.808933 0.070831 BFGS: 3288 14:50:43 0.801474 0.071363 BFGS: 3289 14:50:43 0.794059 0.071885 BFGS: 3290 14:50:43 0.786686 0.072399 BFGS: 3291 14:50:43 0.779355 0.072904 BFGS: 3292 14:50:43 0.772066 0.073400 BFGS: 3293 14:50:43 0.764819 0.073887 BFGS: 3294 14:50:43 0.757614 0.074366 BFGS: 3295 14:50:43 0.750451 0.074837 BFGS: 3296 14:50:44 0.743330 0.075301 BFGS: 3297 14:50:44 0.736250 0.075756 BFGS: 3298 14:50:44 0.729212 0.076203 BFGS: 3299 14:50:44 0.722215 0.076643 BFGS: 3300 14:50:44 0.715260 0.077075 BFGS: 3301 14:50:44 0.708346 0.077500 BFGS: 3302 14:50:44 0.701473 0.077918 BFGS: 3303 14:50:44 0.694641 0.078328 BFGS: 3304 14:50:44 0.687850 0.078731 BFGS: 3305 14:50:44 0.681101 0.079128 BFGS: 3306 14:50:44 0.674392 0.079517 BFGS: 3307 14:50:44 0.667724 0.079899 BFGS: 3308 14:50:45 0.661097 0.080275 BFGS: 3309 14:50:45 0.654510 0.080644 BFGS: 3310 14:50:45 0.647964 0.081006 BFGS: 3311 14:50:45 0.641459 0.081362 BFGS: 3312 14:50:45 0.634994 0.081711 BFGS: 3313 14:50:45 0.628570 0.082054 BFGS: 3314 14:50:45 0.622187 0.082391 BFGS: 3315 14:50:45 0.615843 0.082721 BFGS: 3316 14:50:45 0.609540 0.083045 BFGS: 3317 14:50:45 0.603277 0.083362 BFGS: 3318 14:50:45 0.597055 0.083674 BFGS: 3319 14:50:45 0.590873 0.083979 BFGS: 3320 14:50:45 0.584730 0.084278 BFGS: 3321 14:50:45 0.578625 0.084567 BFGS: 3322 14:50:45 0.572558 0.084842 BFGS: 3323 14:50:46 0.566528 0.085103 BFGS: 3324 14:50:46 0.560536 0.085351 BFGS: 3325 14:50:46 0.554580 0.085586 BFGS: 3326 14:50:46 0.548661 0.085808 BFGS: 3327 14:50:46 0.542779 0.086016 BFGS: 3328 14:50:46 0.536933 0.086212 BFGS: 3329 14:50:46 0.531123 0.086395 BFGS: 3330 14:50:46 0.525349 0.086566 BFGS: 3331 14:50:46 0.519611 0.086724 BFGS: 3332 14:50:47 0.513909 0.086870 BFGS: 3333 14:50:47 0.508242 0.087005 BFGS: 3334 14:50:47 0.502611 0.087127 BFGS: 3335 14:50:47 0.497015 0.087238 BFGS: 3336 14:50:47 0.491454 0.087338 BFGS: 3337 14:50:47 0.485929 0.087426 BFGS: 3338 14:50:47 0.480438 0.087503 BFGS: 3339 14:50:47 0.474982 0.087568 BFGS: 3340 14:50:47 0.469560 0.087623 BFGS: 3341 14:50:47 0.464174 0.087668 BFGS: 3342 14:50:47 0.458821 0.087701 BFGS: 3343 14:50:47 0.453503 0.087724 BFGS: 3344 14:50:47 0.448220 0.087737 BFGS: 3345 14:50:47 0.442970 0.087739 BFGS: 3346 14:50:47 0.437755 0.087731 BFGS: 3347 14:50:47 0.432573 0.087714 BFGS: 3348 14:50:47 0.427425 0.087686 BFGS: 3349 14:50:47 0.422312 0.087649 BFGS: 3350 14:50:47 0.417232 0.087602 BFGS: 3351 14:50:47 0.412185 0.087546 BFGS: 3352 14:50:47 0.407172 0.087480 BFGS: 3353 14:50:48 0.402193 0.087405 BFGS: 3354 14:50:48 0.397247 0.087321 BFGS: 3355 14:50:48 0.392334 0.087228 BFGS: 3356 14:50:48 0.387455 0.087126 BFGS: 3357 14:50:48 0.382609 0.087015 BFGS: 3358 14:50:48 0.377796 0.086896 BFGS: 3359 14:50:48 0.373016 0.086768 BFGS: 3360 14:50:48 0.368269 0.086632 BFGS: 3361 14:50:48 0.363555 0.086487 BFGS: 3362 14:50:48 0.358874 0.086334 BFGS: 3363 14:50:48 0.354225 0.086172 BFGS: 3364 14:50:48 0.349610 0.086003 BFGS: 3365 14:50:48 0.345027 0.085826 BFGS: 3366 14:50:48 0.340477 0.085641 BFGS: 3367 14:50:48 0.335959 0.085448 BFGS: 3368 14:50:48 0.331474 0.085247 BFGS: 3369 14:50:48 0.327021 0.085039 BFGS: 3370 14:50:48 0.322601 0.084823 BFGS: 3371 14:50:48 0.318213 0.084600 BFGS: 3372 14:50:48 0.313857 0.084370 BFGS: 3373 14:50:49 0.309534 0.084132 BFGS: 3374 14:50:49 0.305243 0.083887 BFGS: 3375 14:50:49 0.300984 0.083635 BFGS: 3376 14:50:49 0.296757 0.083377 BFGS: 3377 14:50:49 0.292563 0.083111 BFGS: 3378 14:50:49 0.288400 0.082838 BFGS: 3379 14:50:49 0.284269 0.082559 BFGS: 3380 14:50:49 0.280170 0.082273 BFGS: 3381 14:50:49 0.276103 0.081980 BFGS: 3382 14:50:50 0.272068 0.081681 BFGS: 3383 14:50:50 0.268065 0.081376 BFGS: 3384 14:50:50 0.264093 0.081064 BFGS: 3385 14:50:50 0.260153 0.080746 BFGS: 3386 14:50:50 0.256245 0.080421 BFGS: 3387 14:50:50 0.252368 0.080090 BFGS: 3388 14:50:50 0.248523 0.079754 BFGS: 3389 14:50:50 0.244709 0.079411 BFGS: 3390 14:50:50 0.240927 0.079062 BFGS: 3391 14:50:51 0.237176 0.078708 BFGS: 3392 14:50:51 0.233457 0.078347 BFGS: 3393 14:50:51 0.229769 0.077981 BFGS: 3394 14:50:51 0.226112 0.077609 BFGS: 3395 14:50:51 0.222487 0.077232 BFGS: 3396 14:50:51 0.218893 0.076849 BFGS: 3397 14:50:51 0.215330 0.076460 BFGS: 3398 14:50:51 0.211798 0.076066 BFGS: 3399 14:50:51 0.208297 0.075666 BFGS: 3400 14:50:51 0.204828 0.075261 BFGS: 3401 14:50:51 0.201389 0.074851 BFGS: 3402 14:50:51 0.197982 0.074436 BFGS: 3403 14:50:51 0.194605 0.074015 BFGS: 3404 14:50:51 0.191259 0.073589 BFGS: 3405 14:50:51 0.187945 0.073158 BFGS: 3406 14:50:51 0.184661 0.072722 BFGS: 3407 14:50:51 0.181408 0.072282 BFGS: 3408 14:50:52 0.178185 0.071836 BFGS: 3409 14:50:52 0.174994 0.071385 BFGS: 3410 14:50:52 0.171833 0.070929 BFGS: 3411 14:50:52 0.168703 0.070469 BFGS: 3412 14:50:52 0.165604 0.070003 BFGS: 3413 14:50:52 0.162535 0.069533 BFGS: 3414 14:50:52 0.159496 0.069059 BFGS: 3415 14:50:52 0.156489 0.068579 BFGS: 3416 14:50:52 0.153511 0.068095 BFGS: 3417 14:50:52 0.150565 0.067607 BFGS: 3418 14:50:52 0.147648 0.067114 BFGS: 3419 14:50:52 0.144763 0.066616 BFGS: 3420 14:50:52 0.141907 0.066114 BFGS: 3421 14:50:53 0.139082 0.065608 BFGS: 3422 14:50:53 0.136287 0.065097 BFGS: 3423 14:50:53 0.133523 0.064582 BFGS: 3424 14:50:53 0.130788 0.064062 BFGS: 3425 14:50:53 0.128084 0.063538 BFGS: 3426 14:50:53 0.125410 0.062618 BFGS: 3427 14:50:53 0.122766 0.061377 BFGS: 3428 14:50:53 0.120151 0.060145 BFGS: 3429 14:50:53 0.117567 0.058922 BFGS: 3430 14:50:53 0.115012 0.057707 BFGS: 3431 14:50:53 0.112488 0.056500 BFGS: 3432 14:50:53 0.109993 0.055301 BFGS: 3433 14:50:53 0.107527 0.054111 BFGS: 3434 14:50:54 0.105092 0.052928 BFGS: 3435 14:50:54 0.102685 0.051754 BFGS: 3436 14:50:54 0.100309 0.050587 BFGS: 3437 14:50:54 0.097962 0.049428 BFGS: 3438 14:50:54 0.095644 0.048277 BFGS: 3439 14:50:54 0.093355 0.047134 BFGS: 3440 14:50:54 0.091096 0.045999 BFGS: 3441 14:50:54 0.088866 0.044871 BFGS: 3442 14:50:54 0.086666 0.043750 BFGS: 3443 14:50:54 0.084494 0.042638 BFGS: 3444 14:50:54 0.082352 0.041532 BFGS: 3445 14:50:54 0.080239 0.040435 BFGS: 3446 14:50:54 0.078154 0.039344 BFGS: 3447 14:50:54 0.076099 0.038535 BFGS: 3448 14:50:54 0.074072 0.038332 BFGS: 3449 14:50:54 0.072075 0.038123 BFGS: 3450 14:50:54 0.070106 0.037908 BFGS: 3451 14:50:54 0.068166 0.037688 BFGS: 3452 14:50:55 0.066255 0.037463 BFGS: 3453 14:50:55 0.064372 0.037232 BFGS: 3454 14:50:55 0.062518 0.036996 BFGS: 3455 14:50:55 0.060693 0.036755 BFGS: 3456 14:50:55 0.058896 0.036509 BFGS: 3457 14:50:55 0.057128 0.036257 BFGS: 3458 14:50:55 0.055388 0.035999 BFGS: 3459 14:50:55 0.053676 0.035737 BFGS: 3460 14:50:55 0.051993 0.035469 BFGS: 3461 14:50:55 0.050339 0.035195 BFGS: 3462 14:50:55 0.048713 0.034916 BFGS: 3463 14:50:55 0.047115 0.034631 BFGS: 3464 14:50:55 0.045545 0.034341 BFGS: 3465 14:50:55 0.044004 0.034045 BFGS: 3466 14:50:55 0.042492 0.033742 BFGS: 3467 14:50:55 0.041007 0.033435 BFGS: 3468 14:50:55 0.039551 0.033121 BFGS: 3469 14:50:56 0.038123 0.032802 BFGS: 3470 14:50:56 0.036722 0.032477 BFGS: 3471 14:50:56 0.035350 0.032146 BFGS: 3472 14:50:56 0.034006 0.031809 BFGS: 3473 14:50:56 0.032690 0.031467 BFGS: 3474 14:50:56 0.031401 0.031119 BFGS: 3475 14:50:56 0.030141 0.030764 BFGS: 3476 14:50:56 0.028911 0.030404 BFGS: 3477 14:50:56 0.027710 0.030037 BFGS: 3478 14:50:56 0.026538 0.029663 BFGS: 3479 14:50:56 0.025395 0.029283 BFGS: 3480 14:50:56 0.024281 0.028897 BFGS: 3481 14:50:56 0.023196 0.028503 BFGS: 3482 14:50:56 0.022140 0.028103 BFGS: 3483 14:50:56 0.021112 0.027697 BFGS: 3484 14:50:56 0.020111 0.027283 BFGS: 3485 14:50:56 0.019139 0.026863 BFGS: 3486 14:50:56 0.018195 0.026436 BFGS: 3487 14:50:56 0.017278 0.026002 BFGS: 3488 14:50:56 0.016389 0.025561 BFGS: 3489 14:50:56 0.015526 0.025114 BFGS: 3490 14:50:56 0.014689 0.024665 BFGS: 3491 14:50:56 0.013878 0.024214 BFGS: 3492 14:50:56 0.013093 0.023761 BFGS: 3493 14:50:56 0.012334 0.023306 BFGS: 3494 14:50:56 0.011601 0.022848 BFGS: 3495 14:50:56 0.010892 0.022388 BFGS: 3496 14:50:56 0.010209 0.021925 BFGS: 3497 14:50:57 0.009552 0.021459 BFGS: 3498 14:50:57 0.008919 0.020990 BFGS: 3499 14:50:57 0.008311 0.020518 BFGS: 3500 14:50:57 0.007727 0.020042 BFGS: 3501 14:50:57 0.007168 0.019562 BFGS: 3502 14:50:57 0.006633 0.019078 BFGS: 3503 14:50:57 0.006123 0.018589 BFGS: 3504 14:50:57 0.005637 0.018096 BFGS: 3505 14:50:57 0.005174 0.017598 BFGS: 3506 14:50:57 0.004736 0.017095 BFGS: 3507 14:50:57 0.004321 0.016586 BFGS: 3508 14:50:57 0.003929 0.016071 BFGS: 3509 14:50:57 0.003561 0.015550 BFGS: 3510 14:50:57 0.003215 0.015460 BFGS: 3511 14:50:57 0.002889 0.015415 BFGS: 3512 14:50:57 0.002584 0.015342 BFGS: 3513 14:50:57 0.002298 0.015238 BFGS: 3514 14:50:58 0.002032 0.015110 BFGS: 3515 14:50:58 0.001786 0.014954 BFGS: 3516 14:50:58 0.001558 0.014771 BFGS: 3517 14:50:58 0.001349 0.014558 BFGS: 3518 14:50:58 0.001160 0.014313 BFGS: 3519 14:50:58 0.000989 0.014032 BFGS: 3520 14:50:58 0.000836 0.013713 BFGS: 3521 14:50:58 0.000702 0.013352 BFGS: 3522 14:50:58 0.000587 0.012941 BFGS: 3523 14:50:58 0.000487 0.012472 BFGS: 3524 14:50:58 0.000399 0.011955 BFGS: 3525 14:50:58 0.000321 0.011397 BFGS: 3526 14:50:58 0.000255 0.010794 BFGS: 3527 14:50:58 0.000199 0.010138 BFGS: 3528 14:50:58 0.000153 0.009416 BFGS: 3529 14:50:58 0.000116 0.008644 BFGS: 3530 14:50:58 0.000086 0.007827 BFGS: 3531 14:50:58 0.000064 0.006948 BFGS: 3532 14:50:58 0.000046 0.006011 BFGS: 3533 14:50:58 0.000031 0.005061 BFGS: 3534 14:50:58 0.000020 0.004095 BFGS: 3535 14:50:58 0.000011 0.003114 BFGS: 3536 14:50:59 0.000005 0.002128 BFGS: 3537 14:50:59 0.000001 0.001133 BFGS: 3538 14:50:59 0.000000 0.000131 BFGS: 3539 14:50:59 -0.000000 0.000000 BFGS: 3540 14:50:59 -0.000000 0.000000 Minimization converged after 3540 steps. Maximum force component: 4.745230922434277e-13 eV/Angstrom Maximum stress component: 1.1455145838119502e-16 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'] basis = [[5.36853413e-34 8.84815467e-34 4.18304927e-01] [0.00000000e+00 1.39328649e-33 9.18304927e-01] [0.00000000e+00 2.86231401e-33 5.81695073e-01] [0.00000000e+00 0.00000000e+00 8.16950734e-02] [3.33333333e-01 6.66666667e-01 6.12135108e-01] [6.66666667e-01 3.33333333e-01 1.12135108e-01] [6.66666667e-01 3.33333333e-01 3.87864892e-01] [3.33333333e-01 6.66666667e-01 8.87864892e-01] [5.76014809e-01 1.52029618e-01 2.50000000e-01] [8.47970382e-01 4.23985191e-01 2.50000000e-01] [5.76014809e-01 4.23985191e-01 2.50000000e-01] [4.23985191e-01 8.47970382e-01 7.50000000e-01] [1.52029618e-01 5.76014809e-01 7.50000000e-01] [4.23985191e-01 5.76014809e-01 7.50000000e-01] [9.09334254e-01 8.18668508e-01 2.50000000e-01] [1.81331492e-01 9.06657461e-02 2.50000000e-01] [9.09334254e-01 9.06657461e-02 2.50000000e-01] [9.06657461e-02 1.81331492e-01 7.50000000e-01] [8.18668508e-01 9.09334254e-01 7.50000000e-01] [9.06657461e-02 9.09334254e-01 7.50000000e-01] [5.75407138e-01 1.50814276e-01 6.68103219e-01] [8.49185724e-01 4.24592862e-01 6.68103219e-01] [5.75407138e-01 4.24592862e-01 6.68103219e-01] [4.24592862e-01 8.49185724e-01 1.68103219e-01] [1.50814276e-01 5.75407138e-01 1.68103219e-01] [4.24592862e-01 5.75407138e-01 1.68103219e-01] [1.50814276e-01 5.75407138e-01 3.31896781e-01] [4.24592862e-01 8.49185724e-01 3.31896781e-01] [4.24592862e-01 5.75407138e-01 3.31896781e-01] [8.49185724e-01 4.24592862e-01 8.31896781e-01] [5.75407138e-01 1.50814276e-01 8.31896781e-01] [5.75407138e-01 4.24592862e-01 8.31896781e-01] [7.57489790e-01 5.14979580e-01 9.77542878e-01] [4.85020420e-01 2.42510210e-01 9.77542878e-01] [7.57489790e-01 2.42510210e-01 9.77542878e-01] [2.42510210e-01 4.85020420e-01 4.77542878e-01] [5.14979580e-01 7.57489790e-01 4.77542878e-01] [2.42510210e-01 7.57489790e-01 4.77542878e-01] [5.14979580e-01 7.57489790e-01 2.24571216e-02] [2.42510210e-01 4.85020420e-01 2.24571216e-02] [2.42510210e-01 7.57489790e-01 2.24571216e-02] [4.85020420e-01 2.42510210e-01 5.22457122e-01] [7.57489790e-01 5.14979580e-01 5.22457122e-01] [7.57489790e-01 2.42510210e-01 5.22457122e-01] [2.89012930e-01 7.81081637e-03 1.09440361e-01] [9.92189184e-01 2.81202114e-01 1.09440361e-01] [7.18797886e-01 7.10987070e-01 1.09440361e-01] [7.10987070e-01 9.92189184e-01 6.09440361e-01] [7.81081637e-03 7.18797886e-01 6.09440361e-01] [2.81202114e-01 2.89012930e-01 6.09440361e-01] [7.81081637e-03 2.89012930e-01 8.90559639e-01] [2.81202114e-01 9.92189184e-01 8.90559639e-01] [7.10987070e-01 7.18797886e-01 8.90559639e-01] [9.92189184e-01 7.10987070e-01 3.90559639e-01] [7.18797886e-01 7.81081637e-03 3.90559639e-01] [2.89012930e-01 2.81202114e-01 3.90559639e-01] [7.10987070e-01 9.92189184e-01 8.90559639e-01] [7.81081637e-03 7.18797886e-01 8.90559639e-01] [2.81202114e-01 2.89012930e-01 8.90559639e-01] [2.89012930e-01 7.81081637e-03 3.90559639e-01] [9.92189184e-01 2.81202114e-01 3.90559639e-01] [7.18797886e-01 7.10987070e-01 3.90559639e-01] [9.92189184e-01 7.10987070e-01 1.09440361e-01] [7.18797886e-01 7.81081637e-03 1.09440361e-01] [2.89012930e-01 2.81202114e-01 1.09440361e-01] [7.81081637e-03 2.89012930e-01 6.09440361e-01] [2.81202114e-01 9.92189184e-01 6.09440361e-01] [7.10987070e-01 7.18797886e-01 6.09440361e-01]] cellpar = Cell([[36.770711799060415, -3.994490260915417e-16, -1.3219244155121029e-35], [-18.385355899530207, 31.844370533222527, -1.7384718814800174e-35], [2.3882578942863925e-36, -7.61335373557472e-36, 61.27490099862678]]) 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] [ 3.77376024e-30 -4.74523092e-13 3.57547304e-49] [ 4.10949053e-13 2.37261546e-13 -3.26511773e-49] [-4.10949053e-13 2.37261546e-13 -3.10355313e-50] [ 4.67133377e-29 4.74523092e-13 -3.57547304e-49] [-4.10949053e-13 -2.37261546e-13 3.26511773e-49] [ 4.10949053e-13 -2.37261546e-13 3.10355313e-50] [ 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] [ 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] [ 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]] stress = [-1.14551458e-16 -1.14551458e-16 -3.85907002e-90 -1.42329202e-53 4.46477139e-54 -2.86027586e-32] energy per atom = -6.530723674265627e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0