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 15:39:24 4743.319622 76.6913 BFGS: 1 15:39:24 4731.386158 76.4567 BFGS: 2 15:39:25 4719.619800 76.2251 BFGS: 3 15:39:25 4707.980319 75.9953 BFGS: 4 15:39:25 4696.441778 75.7677 BFGS: 5 15:39:25 4684.988236 75.5418 BFGS: 6 15:39:26 4673.609625 75.3170 BFGS: 7 15:39:26 4662.297662 75.0933 BFGS: 8 15:39:26 4651.046638 74.8704 BFGS: 9 15:39:26 4639.852615 74.6485 BFGS: 10 15:39:27 4628.711814 74.4276 BFGS: 11 15:39:27 4617.621140 74.2073 BFGS: 12 15:39:27 4606.577430 73.9884 BFGS: 13 15:39:27 4595.576856 73.7711 BFGS: 14 15:39:27 4584.618414 73.5544 BFGS: 15 15:39:27 4573.700265 73.3389 BFGS: 16 15:39:27 4562.820770 73.1249 BFGS: 17 15:39:27 4551.977394 72.9133 BFGS: 18 15:39:27 4541.170436 72.7026 BFGS: 19 15:39:27 4530.398327 72.4929 BFGS: 20 15:39:28 4519.659226 72.2839 BFGS: 21 15:39:28 4508.952637 72.0753 BFGS: 22 15:39:28 4498.278289 71.8677 BFGS: 23 15:39:28 4487.635001 71.6607 BFGS: 24 15:39:28 4477.022763 71.4544 BFGS: 25 15:39:29 4466.441485 71.2488 BFGS: 26 15:39:29 4455.891059 71.0445 BFGS: 27 15:39:29 4445.372921 70.8413 BFGS: 28 15:39:29 4434.887579 70.6394 BFGS: 29 15:39:29 4424.433193 70.4383 BFGS: 30 15:39:30 4414.008572 70.2378 BFGS: 31 15:39:30 4403.613332 70.0378 BFGS: 32 15:39:31 4393.247047 69.8382 BFGS: 33 15:39:31 4382.909690 69.6391 BFGS: 34 15:39:32 4372.601222 69.4404 BFGS: 35 15:39:32 4362.321592 69.2421 BFGS: 36 15:39:32 4352.070729 69.0443 BFGS: 37 15:39:32 4341.848006 68.8470 BFGS: 38 15:39:32 4331.652869 68.6503 BFGS: 39 15:39:32 4321.485085 68.4542 BFGS: 40 15:39:33 4311.343463 68.2589 BFGS: 41 15:39:33 4301.228442 68.0638 BFGS: 42 15:39:33 4291.139543 67.8693 BFGS: 43 15:39:33 4281.076094 67.6751 BFGS: 44 15:39:33 4271.037662 67.4813 BFGS: 45 15:39:33 4261.023961 67.2878 BFGS: 46 15:39:33 4251.034711 67.0946 BFGS: 47 15:39:34 4241.069634 66.9017 BFGS: 48 15:39:34 4231.128441 66.7091 BFGS: 49 15:39:34 4221.210828 66.5168 BFGS: 50 15:39:34 4211.316467 66.3248 BFGS: 51 15:39:34 4201.445001 66.1330 BFGS: 52 15:39:34 4191.596036 65.9417 BFGS: 53 15:39:34 4181.769227 65.7512 BFGS: 54 15:39:34 4171.964898 65.5611 BFGS: 55 15:39:34 4162.182533 65.3712 BFGS: 56 15:39:35 4152.421546 65.1815 BFGS: 57 15:39:35 4142.681269 64.9921 BFGS: 58 15:39:35 4132.960955 64.8030 BFGS: 59 15:39:35 4123.259769 64.6140 BFGS: 60 15:39:35 4113.576793 64.4253 BFGS: 61 15:39:35 4103.910994 64.2375 BFGS: 62 15:39:36 4094.262613 64.0505 BFGS: 63 15:39:36 4084.631202 63.8638 BFGS: 64 15:39:36 4075.015303 63.6776 BFGS: 65 15:39:36 4065.413414 63.4915 BFGS: 66 15:39:36 4055.824081 63.3056 BFGS: 67 15:39:36 4046.245792 63.1198 BFGS: 68 15:39:36 4036.676982 62.9341 BFGS: 69 15:39:36 4027.115051 62.7487 BFGS: 70 15:39:36 4017.556098 62.5633 BFGS: 71 15:39:36 4007.997031 62.3780 BFGS: 72 15:39:36 3998.434940 62.1927 BFGS: 73 15:39:37 3988.868740 62.0082 BFGS: 74 15:39:37 3979.297691 61.8236 BFGS: 75 15:39:37 3969.720881 61.6388 BFGS: 76 15:39:37 3960.137647 61.4538 BFGS: 77 15:39:37 3950.547531 61.2695 BFGS: 78 15:39:37 3940.950753 61.0873 BFGS: 79 15:39:37 3931.350664 60.9050 BFGS: 80 15:39:37 3921.747152 60.7225 BFGS: 81 15:39:37 3912.138970 60.5419 BFGS: 82 15:39:37 3902.526943 60.3654 BFGS: 83 15:39:37 3892.917163 60.1903 BFGS: 84 15:39:37 3883.312551 60.0151 BFGS: 85 15:39:38 3873.712949 59.8402 BFGS: 86 15:39:38 3864.115713 59.6668 BFGS: 87 15:39:38 3854.520929 59.4945 BFGS: 88 15:39:38 3844.923636 59.3217 BFGS: 89 15:39:38 3835.325151 59.1484 BFGS: 90 15:39:38 3825.727058 58.9747 BFGS: 91 15:39:38 3816.131188 58.8006 BFGS: 92 15:39:39 3806.539494 58.6265 BFGS: 93 15:39:39 3796.952199 58.4536 BFGS: 94 15:39:39 3787.369480 58.2804 BFGS: 95 15:39:39 3777.793741 58.1081 BFGS: 96 15:39:39 3768.228521 57.9367 BFGS: 97 15:39:40 3758.676808 57.7661 BFGS: 98 15:39:40 3749.137276 57.5960 BFGS: 99 15:39:40 3739.611635 57.4283 BFGS: 100 15:39:40 3730.106711 57.2619 BFGS: 101 15:39:40 3720.627756 57.0959 BFGS: 102 15:39:40 3711.175735 56.9297 BFGS: 103 15:39:40 3701.753425 56.7633 BFGS: 104 15:39:41 3692.362744 56.5983 BFGS: 105 15:39:41 3683.006685 56.4347 BFGS: 106 15:39:41 3673.689377 56.2708 BFGS: 107 15:39:41 3664.411694 56.1068 BFGS: 108 15:39:41 3655.174342 55.9443 BFGS: 109 15:39:41 3645.982754 55.7832 BFGS: 110 15:39:42 3636.838906 55.6241 BFGS: 111 15:39:42 3627.743547 55.4662 BFGS: 112 15:39:42 3618.698573 55.3103 BFGS: 113 15:39:42 3609.708455 55.1543 BFGS: 114 15:39:42 3600.774030 54.9996 BFGS: 115 15:39:42 3591.897062 54.8475 BFGS: 116 15:39:42 3583.081107 54.6955 BFGS: 117 15:39:42 3574.326190 54.5462 BFGS: 118 15:39:42 3565.635168 54.3994 BFGS: 119 15:39:43 3557.007563 54.2532 BFGS: 120 15:39:43 3548.442955 54.1077 BFGS: 121 15:39:43 3539.937741 53.9624 BFGS: 122 15:39:43 3531.488693 53.8175 BFGS: 123 15:39:43 3523.094374 53.6727 BFGS: 124 15:39:43 3514.754561 53.5285 BFGS: 125 15:39:43 3506.467422 53.3851 BFGS: 126 15:39:43 3498.230962 53.2418 BFGS: 127 15:39:43 3490.044761 53.0985 BFGS: 128 15:39:43 3481.908289 52.9554 BFGS: 129 15:39:43 3473.820925 52.8125 BFGS: 130 15:39:44 3465.781695 52.6733 BFGS: 131 15:39:44 3457.793287 52.5341 BFGS: 132 15:39:44 3449.854730 52.3951 BFGS: 133 15:39:44 3441.964987 52.2566 BFGS: 134 15:39:44 3434.123371 52.1184 BFGS: 135 15:39:44 3426.329057 51.9803 BFGS: 136 15:39:44 3418.580419 51.8425 BFGS: 137 15:39:44 3410.875770 51.7048 BFGS: 138 15:39:44 3403.213374 51.5673 BFGS: 139 15:39:44 3395.591803 51.4300 BFGS: 140 15:39:44 3388.009823 51.2934 BFGS: 141 15:39:45 3380.464293 51.1573 BFGS: 142 15:39:45 3372.953390 51.0213 BFGS: 143 15:39:45 3365.476225 50.8859 BFGS: 144 15:39:45 3358.031438 50.7510 BFGS: 145 15:39:45 3350.617724 50.6164 BFGS: 146 15:39:45 3343.233803 50.4822 BFGS: 147 15:39:45 3335.878084 50.3487 BFGS: 148 15:39:45 3328.549423 50.2152 BFGS: 149 15:39:45 3321.247219 50.0817 BFGS: 150 15:39:45 3313.970820 49.9484 BFGS: 151 15:39:45 3306.719530 49.8153 BFGS: 152 15:39:45 3299.492039 49.6822 BFGS: 153 15:39:45 3292.287344 49.5491 BFGS: 154 15:39:45 3285.104710 49.4166 BFGS: 155 15:39:45 3277.944038 49.2841 BFGS: 156 15:39:45 3270.804470 49.1516 BFGS: 157 15:39:46 3263.685180 49.0190 BFGS: 158 15:39:46 3256.585369 48.8863 BFGS: 159 15:39:46 3249.504259 48.7535 BFGS: 160 15:39:46 3242.441020 48.6208 BFGS: 161 15:39:46 3235.394045 48.4880 BFGS: 162 15:39:46 3228.362593 48.3550 BFGS: 163 15:39:46 3221.345979 48.2221 BFGS: 164 15:39:46 3214.343647 48.0891 BFGS: 165 15:39:46 3207.354902 47.9560 BFGS: 166 15:39:46 3200.377919 47.8226 BFGS: 167 15:39:46 3193.411246 47.6894 BFGS: 168 15:39:46 3186.453924 47.5564 BFGS: 169 15:39:46 3179.503039 47.4232 BFGS: 170 15:39:46 3172.557658 47.2896 BFGS: 171 15:39:46 3165.616958 47.1559 BFGS: 172 15:39:46 3158.680159 47.0307 BFGS: 173 15:39:46 3151.746519 46.9055 BFGS: 174 15:39:46 3144.815215 46.7803 BFGS: 175 15:39:46 3137.885493 46.6551 BFGS: 176 15:39:46 3130.956661 46.5298 BFGS: 177 15:39:46 3124.042162 46.4047 BFGS: 178 15:39:46 3117.145125 46.2799 BFGS: 179 15:39:46 3110.265518 46.1552 BFGS: 180 15:39:46 3103.403353 46.0307 BFGS: 181 15:39:46 3096.558683 45.9065 BFGS: 182 15:39:46 3089.731602 45.7824 BFGS: 183 15:39:47 3082.922245 45.6586 BFGS: 184 15:39:47 3076.130772 45.5351 BFGS: 185 15:39:47 3069.357328 45.4128 BFGS: 186 15:39:47 3062.602196 45.2915 BFGS: 187 15:39:47 3055.865143 45.1723 BFGS: 188 15:39:47 3049.146780 45.0532 BFGS: 189 15:39:47 3042.447145 44.9344 BFGS: 190 15:39:47 3035.766335 44.8158 BFGS: 191 15:39:47 3029.104471 44.6975 BFGS: 192 15:39:47 3022.461409 44.5807 BFGS: 193 15:39:47 3015.837992 44.4645 BFGS: 194 15:39:47 3009.234252 44.3486 BFGS: 195 15:39:47 3002.650111 44.2328 BFGS: 196 15:39:47 2996.085418 44.1178 BFGS: 197 15:39:47 2989.540427 44.0040 BFGS: 198 15:39:47 2983.015927 43.8903 BFGS: 199 15:39:47 2976.511518 43.7767 BFGS: 200 15:39:47 2970.026255 43.6637 BFGS: 201 15:39:47 2963.555518 43.5512 BFGS: 202 15:39:47 2957.096096 43.4392 BFGS: 203 15:39:47 2950.647231 43.3279 BFGS: 204 15:39:47 2944.208758 43.2166 BFGS: 205 15:39:47 2937.780345 43.1054 BFGS: 206 15:39:47 2931.361453 42.9947 BFGS: 207 15:39:47 2924.949265 42.8842 BFGS: 208 15:39:47 2918.542347 42.7746 BFGS: 209 15:39:47 2912.138573 42.6650 BFGS: 210 15:39:47 2905.735035 42.5555 BFGS: 211 15:39:47 2899.330724 42.4469 BFGS: 212 15:39:48 2892.924579 42.3380 BFGS: 213 15:39:48 2886.516187 42.2290 BFGS: 214 15:39:48 2880.105033 42.1199 BFGS: 215 15:39:48 2873.690031 42.0115 BFGS: 216 15:39:48 2867.271050 41.9035 BFGS: 217 15:39:48 2860.848404 41.7953 BFGS: 218 15:39:48 2854.421757 41.6865 BFGS: 219 15:39:48 2847.990753 41.5776 BFGS: 220 15:39:48 2841.554761 41.4685 BFGS: 221 15:39:48 2835.113527 41.3592 BFGS: 222 15:39:48 2828.666912 41.2495 BFGS: 223 15:39:48 2822.214294 41.1405 BFGS: 224 15:39:48 2815.755957 41.0320 BFGS: 225 15:39:48 2809.292614 40.9229 BFGS: 226 15:39:48 2802.824128 40.8134 BFGS: 227 15:39:48 2796.350719 40.7034 BFGS: 228 15:39:48 2789.872746 40.5930 BFGS: 229 15:39:48 2783.390699 40.4821 BFGS: 230 15:39:48 2776.905219 40.3708 BFGS: 231 15:39:48 2770.417030 40.2590 BFGS: 232 15:39:48 2763.926949 40.1467 BFGS: 233 15:39:48 2757.435838 40.0344 BFGS: 234 15:39:48 2750.944829 39.9216 BFGS: 235 15:39:48 2744.454682 39.8088 BFGS: 236 15:39:48 2737.964791 39.6964 BFGS: 237 15:39:48 2731.474777 39.5838 BFGS: 238 15:39:48 2724.986012 39.4722 BFGS: 239 15:39:48 2718.499462 39.3617 BFGS: 240 15:39:48 2712.017054 39.2514 BFGS: 241 15:39:48 2705.540527 39.1411 BFGS: 242 15:39:48 2699.071391 39.0310 BFGS: 243 15:39:49 2692.610813 38.9208 BFGS: 244 15:39:49 2686.160669 38.8119 BFGS: 245 15:39:49 2679.723994 38.7041 BFGS: 246 15:39:49 2673.303331 38.5963 BFGS: 247 15:39:49 2666.899968 38.4887 BFGS: 248 15:39:49 2660.515233 38.3814 BFGS: 249 15:39:49 2654.150451 38.2743 BFGS: 250 15:39:49 2647.806720 38.1686 BFGS: 251 15:39:49 2641.485287 38.0633 BFGS: 252 15:39:49 2635.187356 37.9583 BFGS: 253 15:39:49 2628.913994 37.8534 BFGS: 254 15:39:49 2622.666610 37.7494 BFGS: 255 15:39:49 2616.450304 37.6472 BFGS: 256 15:39:49 2610.272400 37.5456 BFGS: 257 15:39:49 2604.132297 37.4454 BFGS: 258 15:39:49 2598.027959 37.3459 BFGS: 259 15:39:49 2591.958208 37.2468 BFGS: 260 15:39:49 2585.922199 37.1482 BFGS: 261 15:39:49 2579.919039 37.0504 BFGS: 262 15:39:49 2573.947800 36.9578 BFGS: 263 15:39:49 2568.007510 36.8649 BFGS: 264 15:39:49 2562.096872 36.7716 BFGS: 265 15:39:49 2556.214699 36.6779 BFGS: 266 15:39:49 2550.359526 36.5842 BFGS: 267 15:39:49 2544.529263 36.4908 BFGS: 268 15:39:49 2538.723681 36.3974 BFGS: 269 15:39:49 2532.942414 36.3035 BFGS: 270 15:39:49 2527.184734 36.2092 BFGS: 271 15:39:49 2521.449917 36.1145 BFGS: 272 15:39:49 2515.737251 36.0194 BFGS: 273 15:39:50 2510.046040 35.9240 BFGS: 274 15:39:50 2504.375856 35.8292 BFGS: 275 15:39:50 2498.726636 35.7343 BFGS: 276 15:39:50 2493.097249 35.6391 BFGS: 277 15:39:50 2487.487012 35.5456 BFGS: 278 15:39:50 2481.895273 35.4544 BFGS: 279 15:39:50 2476.321356 35.3636 BFGS: 280 15:39:50 2470.764997 35.2730 BFGS: 281 15:39:50 2465.225739 35.1828 BFGS: 282 15:39:50 2459.705318 35.0934 BFGS: 283 15:39:50 2454.211176 35.0042 BFGS: 284 15:39:50 2448.742855 34.9153 BFGS: 285 15:39:50 2443.299977 34.8266 BFGS: 286 15:39:50 2437.882210 34.7381 BFGS: 287 15:39:50 2432.489255 34.6498 BFGS: 288 15:39:50 2427.120833 34.5617 BFGS: 289 15:39:50 2421.776672 34.4737 BFGS: 290 15:39:50 2416.456497 34.3864 BFGS: 291 15:39:50 2411.160069 34.2997 BFGS: 292 15:39:50 2405.885944 34.2133 BFGS: 293 15:39:50 2400.633949 34.1275 BFGS: 294 15:39:50 2395.403570 34.0429 BFGS: 295 15:39:50 2390.194101 33.9585 BFGS: 296 15:39:50 2385.005212 33.8743 BFGS: 297 15:39:50 2379.836637 33.7902 BFGS: 298 15:39:50 2374.688089 33.7066 BFGS: 299 15:39:50 2369.559536 33.6232 BFGS: 300 15:39:50 2364.450415 33.5403 BFGS: 301 15:39:50 2359.359367 33.4575 BFGS: 302 15:39:50 2354.285902 33.3749 BFGS: 303 15:39:50 2349.229630 33.2923 BFGS: 304 15:39:50 2344.190130 33.2098 BFGS: 305 15:39:50 2339.166719 33.1274 BFGS: 306 15:39:50 2334.158428 33.0452 BFGS: 307 15:39:50 2329.164650 32.9645 BFGS: 308 15:39:50 2324.185371 32.8841 BFGS: 309 15:39:50 2319.220059 32.8037 BFGS: 310 15:39:51 2314.268089 32.7233 BFGS: 311 15:39:51 2309.328775 32.6436 BFGS: 312 15:39:51 2304.401572 32.5639 BFGS: 313 15:39:51 2299.485777 32.4842 BFGS: 314 15:39:51 2294.580651 32.4050 BFGS: 315 15:39:51 2289.685756 32.3258 BFGS: 316 15:39:51 2284.800230 32.2468 BFGS: 317 15:39:51 2279.922262 32.1678 BFGS: 318 15:39:51 2275.050915 32.0888 BFGS: 319 15:39:51 2270.185523 32.0097 BFGS: 320 15:39:51 2265.325416 31.9304 BFGS: 321 15:39:51 2260.469923 31.8511 BFGS: 322 15:39:51 2255.618374 31.7716 BFGS: 323 15:39:51 2250.770104 31.6920 BFGS: 324 15:39:51 2245.924462 31.6123 BFGS: 325 15:39:51 2241.080818 31.5325 BFGS: 326 15:39:51 2236.238597 31.4524 BFGS: 327 15:39:51 2231.397204 31.3722 BFGS: 328 15:39:51 2226.556082 31.2918 BFGS: 329 15:39:51 2221.714715 31.2112 BFGS: 330 15:39:51 2216.872416 31.1312 BFGS: 331 15:39:52 2212.028375 31.0510 BFGS: 332 15:39:52 2207.182305 30.9710 BFGS: 333 15:39:52 2202.333662 30.8920 BFGS: 334 15:39:52 2197.481538 30.8129 BFGS: 335 15:39:52 2192.625558 30.7335 BFGS: 336 15:39:52 2187.765598 30.6538 BFGS: 337 15:39:52 2182.901582 30.5738 BFGS: 338 15:39:52 2178.033467 30.4934 BFGS: 339 15:39:52 2173.161240 30.4128 BFGS: 340 15:39:52 2168.284914 30.3318 BFGS: 341 15:39:52 2163.404531 30.2506 BFGS: 342 15:39:52 2158.519988 30.1701 BFGS: 343 15:39:52 2153.631691 30.0909 BFGS: 344 15:39:52 2148.739404 30.0116 BFGS: 345 15:39:52 2143.843255 29.9321 BFGS: 346 15:39:52 2138.943476 29.8522 BFGS: 347 15:39:52 2134.040324 29.7721 BFGS: 348 15:39:52 2129.134087 29.6918 BFGS: 349 15:39:52 2124.225011 29.6122 BFGS: 350 15:39:52 2119.313724 29.5326 BFGS: 351 15:39:52 2114.400756 29.4528 BFGS: 352 15:39:52 2109.486555 29.3727 BFGS: 353 15:39:52 2104.571623 29.2924 BFGS: 354 15:39:52 2099.656520 29.2118 BFGS: 355 15:39:52 2094.741857 29.1311 BFGS: 356 15:39:52 2089.828175 29.0506 BFGS: 357 15:39:52 2084.916089 28.9700 BFGS: 358 15:39:52 2080.006205 28.8909 BFGS: 359 15:39:52 2075.099721 28.8127 BFGS: 360 15:39:52 2070.197769 28.7343 BFGS: 361 15:39:52 2065.301065 28.6559 BFGS: 362 15:39:52 2060.410384 28.5776 BFGS: 363 15:39:52 2055.526267 28.5003 BFGS: 364 15:39:52 2050.650373 28.4246 BFGS: 365 15:39:52 2045.783640 28.3487 BFGS: 366 15:39:52 2040.927027 28.2726 BFGS: 367 15:39:52 2036.081630 28.1961 BFGS: 368 15:39:52 2031.248577 28.1200 BFGS: 369 15:39:52 2026.428457 28.0454 BFGS: 370 15:39:52 2021.622100 27.9705 BFGS: 371 15:39:52 2016.830397 27.8971 BFGS: 372 15:39:52 2012.058430 27.8258 BFGS: 373 15:39:52 2007.310542 27.7573 BFGS: 374 15:39:52 2002.589215 27.6885 BFGS: 375 15:39:52 1997.895335 27.6197 BFGS: 376 15:39:52 1993.229282 27.5508 BFGS: 377 15:39:52 1988.591305 27.4824 BFGS: 378 15:39:53 1983.981426 27.4161 BFGS: 379 15:39:53 1979.400955 27.3496 BFGS: 380 15:39:53 1974.850560 27.2828 BFGS: 381 15:39:53 1970.330631 27.2177 BFGS: 382 15:39:53 1965.840955 27.1537 BFGS: 383 15:39:53 1961.382382 27.0900 BFGS: 384 15:39:53 1956.955860 27.0270 BFGS: 385 15:39:53 1952.560606 26.9650 BFGS: 386 15:39:53 1948.196567 26.9027 BFGS: 387 15:39:53 1943.864200 26.8401 BFGS: 388 15:39:53 1939.563827 26.7776 BFGS: 389 15:39:53 1935.295825 26.7152 BFGS: 390 15:39:53 1931.060593 26.6535 BFGS: 391 15:39:53 1926.859190 26.5920 BFGS: 392 15:39:53 1922.691915 26.5302 BFGS: 393 15:39:53 1918.558586 26.4680 BFGS: 394 15:39:53 1914.458839 26.4073 BFGS: 395 15:39:53 1910.392995 26.3465 BFGS: 396 15:39:53 1906.360840 26.2854 BFGS: 397 15:39:53 1902.362013 26.2242 BFGS: 398 15:39:53 1898.396120 26.1626 BFGS: 399 15:39:53 1894.462733 26.1009 BFGS: 400 15:39:53 1890.561397 26.0389 BFGS: 401 15:39:53 1886.691635 25.9773 BFGS: 402 15:39:53 1882.853081 25.9157 BFGS: 403 15:39:53 1879.044901 25.8543 BFGS: 404 15:39:53 1875.266208 25.7929 BFGS: 405 15:39:53 1871.515407 25.7314 BFGS: 406 15:39:53 1867.791818 25.6696 BFGS: 407 15:39:53 1864.094904 25.6077 BFGS: 408 15:39:53 1860.424028 25.5463 BFGS: 409 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15:40:36 141.860690 1.7233 BFGS: 1874 15:40:36 141.605951 1.7207 BFGS: 1875 15:40:36 141.351584 1.7182 BFGS: 1876 15:40:37 141.097588 1.7157 BFGS: 1877 15:40:37 140.843963 1.7131 BFGS: 1878 15:40:37 140.590708 1.7106 BFGS: 1879 15:40:37 140.337824 1.7081 BFGS: 1880 15:40:37 140.085309 1.7056 BFGS: 1881 15:40:37 139.833163 1.7031 BFGS: 1882 15:40:37 139.581385 1.7006 BFGS: 1883 15:40:37 139.329976 1.6980 BFGS: 1884 15:40:37 139.078936 1.6955 BFGS: 1885 15:40:37 138.828262 1.6930 BFGS: 1886 15:40:37 138.577956 1.6905 BFGS: 1887 15:40:37 138.328017 1.6880 BFGS: 1888 15:40:37 138.078445 1.6855 BFGS: 1889 15:40:37 137.829238 1.6830 BFGS: 1890 15:40:37 137.580398 1.6805 BFGS: 1891 15:40:37 137.331923 1.6780 BFGS: 1892 15:40:37 137.083813 1.6756 BFGS: 1893 15:40:37 136.836068 1.6731 BFGS: 1894 15:40:37 136.588687 1.6706 BFGS: 1895 15:40:37 136.341671 1.6681 BFGS: 1896 15:40:37 136.095018 1.6656 BFGS: 1897 15:40:37 135.848729 1.6631 BFGS: 1898 15:40:37 135.602803 1.6607 BFGS: 1899 15:40:37 135.357239 1.6582 BFGS: 1900 15:40:37 135.112035 1.6558 BFGS: 1901 15:40:37 134.867184 1.6534 BFGS: 1902 15:40:37 134.622686 1.6510 BFGS: 1903 15:40:37 134.378540 1.6487 BFGS: 1904 15:40:37 134.134737 1.6464 BFGS: 1905 15:40:37 133.891276 1.6441 BFGS: 1906 15:40:37 133.648155 1.6418 BFGS: 1907 15:40:37 133.405374 1.6395 BFGS: 1908 15:40:37 133.162932 1.6372 BFGS: 1909 15:40:37 132.920828 1.6349 BFGS: 1910 15:40:37 132.679063 1.6326 BFGS: 1911 15:40:37 132.437633 1.6303 BFGS: 1912 15:40:37 132.196541 1.6281 BFGS: 1913 15:40:37 131.955783 1.6258 BFGS: 1914 15:40:37 131.715361 1.6235 BFGS: 1915 15:40:37 131.475274 1.6212 BFGS: 1916 15:40:37 131.235520 1.6190 BFGS: 1917 15:40:37 130.996099 1.6167 BFGS: 1918 15:40:37 130.757012 1.6144 BFGS: 1919 15:40:37 130.518256 1.6122 BFGS: 1920 15:40:37 130.279833 1.6099 BFGS: 1921 15:40:37 130.041740 1.6077 BFGS: 1922 15:40:37 129.803979 1.6054 BFGS: 1923 15:40:37 129.566548 1.6032 BFGS: 1924 15:40:37 129.329447 1.6009 BFGS: 1925 15:40:37 129.092675 1.5987 BFGS: 1926 15:40:37 128.856232 1.5964 BFGS: 1927 15:40:37 128.620118 1.5942 BFGS: 1928 15:40:37 128.384332 1.5919 BFGS: 1929 15:40:37 128.148874 1.5897 BFGS: 1930 15:40:37 127.913743 1.5874 BFGS: 1931 15:40:37 127.678939 1.5852 BFGS: 1932 15:40:37 127.444462 1.5830 BFGS: 1933 15:40:37 127.210310 1.5807 BFGS: 1934 15:40:37 126.976485 1.5785 BFGS: 1935 15:40:37 126.742985 1.5763 BFGS: 1936 15:40:37 126.509810 1.5741 BFGS: 1937 15:40:37 126.276960 1.5718 BFGS: 1938 15:40:37 126.044434 1.5696 BFGS: 1939 15:40:37 125.812225 1.5675 BFGS: 1940 15:40:37 125.580305 1.5654 BFGS: 1941 15:40:38 125.348673 1.5633 BFGS: 1942 15:40:38 125.117327 1.5612 BFGS: 1943 15:40:38 124.886270 1.5591 BFGS: 1944 15:40:38 124.655500 1.5570 BFGS: 1945 15:40:38 124.425017 1.5549 BFGS: 1946 15:40:38 124.194823 1.5528 BFGS: 1947 15:40:38 123.964916 1.5507 BFGS: 1948 15:40:38 123.735297 1.5486 BFGS: 1949 15:40:38 123.505966 1.5465 BFGS: 1950 15:40:38 123.276923 1.5444 BFGS: 1951 15:40:38 123.048167 1.5423 BFGS: 1952 15:40:38 122.819700 1.5402 BFGS: 1953 15:40:38 122.591521 1.5381 BFGS: 1954 15:40:38 122.363629 1.5360 BFGS: 1955 15:40:38 122.136026 1.5339 BFGS: 1956 15:40:38 121.908711 1.5319 BFGS: 1957 15:40:38 121.681683 1.5298 BFGS: 1958 15:40:38 121.454944 1.5277 BFGS: 1959 15:40:38 121.228493 1.5256 BFGS: 1960 15:40:38 121.002329 1.5235 BFGS: 1961 15:40:38 120.776454 1.5215 BFGS: 1962 15:40:38 120.550866 1.5194 BFGS: 1963 15:40:38 120.325567 1.5173 BFGS: 1964 15:40:38 120.100555 1.5152 BFGS: 1965 15:40:38 119.875831 1.5132 BFGS: 1966 15:40:38 119.651395 1.5111 BFGS: 1967 15:40:38 119.427247 1.5090 BFGS: 1968 15:40:38 119.203386 1.5069 BFGS: 1969 15:40:38 118.979813 1.5049 BFGS: 1970 15:40:38 118.756527 1.5028 BFGS: 1971 15:40:38 118.533529 1.5007 BFGS: 1972 15:40:38 118.310819 1.4987 BFGS: 1973 15:40:38 118.088395 1.4966 BFGS: 1974 15:40:38 117.866259 1.4946 BFGS: 1975 15:40:38 117.644410 1.4925 BFGS: 1976 15:40:38 117.422849 1.4904 BFGS: 1977 15:40:38 117.201574 1.4884 BFGS: 1978 15:40:38 116.980586 1.4863 BFGS: 1979 15:40:38 116.759885 1.4843 BFGS: 1980 15:40:38 116.539471 1.4822 BFGS: 1981 15:40:38 116.319344 1.4802 BFGS: 1982 15:40:38 116.099503 1.4781 BFGS: 1983 15:40:38 115.879949 1.4761 BFGS: 1984 15:40:38 115.660681 1.4740 BFGS: 1985 15:40:38 115.441699 1.4720 BFGS: 1986 15:40:38 115.223004 1.4700 BFGS: 1987 15:40:38 115.004595 1.4679 BFGS: 1988 15:40:38 114.786471 1.4659 BFGS: 1989 15:40:38 114.568634 1.4638 BFGS: 1990 15:40:38 114.351082 1.4618 BFGS: 1991 15:40:38 114.133816 1.4598 BFGS: 1992 15:40:38 113.916836 1.4577 BFGS: 1993 15:40:38 113.700141 1.4557 BFGS: 1994 15:40:38 113.483731 1.4537 BFGS: 1995 15:40:38 113.267606 1.4516 BFGS: 1996 15:40:38 113.051767 1.4496 BFGS: 1997 15:40:38 112.836212 1.4476 BFGS: 1998 15:40:38 112.620943 1.4456 BFGS: 1999 15:40:38 112.405958 1.4435 BFGS: 2000 15:40:38 112.191258 1.4415 BFGS: 2001 15:40:38 111.976842 1.4395 BFGS: 2002 15:40:38 111.762711 1.4375 BFGS: 2003 15:40:38 111.548864 1.4355 BFGS: 2004 15:40:38 111.335301 1.4335 BFGS: 2005 15:40:38 111.122022 1.4314 BFGS: 2006 15:40:38 110.909028 1.4294 BFGS: 2007 15:40:38 110.696317 1.4274 BFGS: 2008 15:40:38 110.483889 1.4254 BFGS: 2009 15:40:38 110.271745 1.4234 BFGS: 2010 15:40:39 110.059885 1.4214 BFGS: 2011 15:40:39 109.848308 1.4194 BFGS: 2012 15:40:39 109.637014 1.4174 BFGS: 2013 15:40:39 109.426003 1.4154 BFGS: 2014 15:40:39 109.215275 1.4134 BFGS: 2015 15:40:39 109.004830 1.4114 BFGS: 2016 15:40:39 108.794667 1.4094 BFGS: 2017 15:40:39 108.584787 1.4074 BFGS: 2018 15:40:39 108.375190 1.4054 BFGS: 2019 15:40:39 108.165875 1.4034 BFGS: 2020 15:40:39 107.956842 1.4014 BFGS: 2021 15:40:39 107.748091 1.3994 BFGS: 2022 15:40:39 107.539622 1.3974 BFGS: 2023 15:40:39 107.331435 1.3954 BFGS: 2024 15:40:39 107.123529 1.3934 BFGS: 2025 15:40:39 106.915905 1.3915 BFGS: 2026 15:40:39 106.708562 1.3895 BFGS: 2027 15:40:39 106.501501 1.3875 BFGS: 2028 15:40:39 106.294721 1.3855 BFGS: 2029 15:40:39 106.088222 1.3835 BFGS: 2030 15:40:39 105.882004 1.3816 BFGS: 2031 15:40:39 105.676067 1.3796 BFGS: 2032 15:40:39 105.470410 1.3776 BFGS: 2033 15:40:39 105.265034 1.3756 BFGS: 2034 15:40:39 105.059938 1.3737 BFGS: 2035 15:40:39 104.855123 1.3717 BFGS: 2036 15:40:39 104.650587 1.3697 BFGS: 2037 15:40:39 104.446332 1.3677 BFGS: 2038 15:40:39 104.242357 1.3658 BFGS: 2039 15:40:39 104.038661 1.3638 BFGS: 2040 15:40:39 103.835245 1.3619 BFGS: 2041 15:40:39 103.632109 1.3599 BFGS: 2042 15:40:39 103.429252 1.3579 BFGS: 2043 15:40:39 103.226674 1.3560 BFGS: 2044 15:40:39 103.024376 1.3540 BFGS: 2045 15:40:39 102.822356 1.3521 BFGS: 2046 15:40:39 102.620616 1.3501 BFGS: 2047 15:40:39 102.419154 1.3481 BFGS: 2048 15:40:39 102.217971 1.3462 BFGS: 2049 15:40:39 102.017066 1.3442 BFGS: 2050 15:40:39 101.816440 1.3423 BFGS: 2051 15:40:39 101.616092 1.3403 BFGS: 2052 15:40:39 101.416022 1.3384 BFGS: 2053 15:40:39 101.216230 1.3365 BFGS: 2054 15:40:39 101.016716 1.3345 BFGS: 2055 15:40:39 100.817479 1.3326 BFGS: 2056 15:40:39 100.618521 1.3306 BFGS: 2057 15:40:39 100.419839 1.3287 BFGS: 2058 15:40:39 100.221436 1.3267 BFGS: 2059 15:40:39 100.023309 1.3248 BFGS: 2060 15:40:39 99.825459 1.3229 BFGS: 2061 15:40:39 99.627887 1.3209 BFGS: 2062 15:40:39 99.430591 1.3190 BFGS: 2063 15:40:39 99.233572 1.3171 BFGS: 2064 15:40:39 99.036830 1.3151 BFGS: 2065 15:40:39 98.840364 1.3132 BFGS: 2066 15:40:39 98.644175 1.3113 BFGS: 2067 15:40:39 98.448262 1.3094 BFGS: 2068 15:40:39 98.252625 1.3074 BFGS: 2069 15:40:39 98.057263 1.3055 BFGS: 2070 15:40:39 97.862178 1.3036 BFGS: 2071 15:40:39 97.667368 1.3017 BFGS: 2072 15:40:39 97.472834 1.2997 BFGS: 2073 15:40:39 97.278576 1.2978 BFGS: 2074 15:40:39 97.084592 1.2959 BFGS: 2075 15:40:39 96.890884 1.2940 BFGS: 2076 15:40:40 96.697451 1.2921 BFGS: 2077 15:40:40 96.504293 1.2902 BFGS: 2078 15:40:40 96.311410 1.2883 BFGS: 2079 15:40:40 96.118801 1.2863 BFGS: 2080 15:40:40 95.926467 1.2844 BFGS: 2081 15:40:40 95.734408 1.2825 BFGS: 2082 15:40:40 95.542622 1.2806 BFGS: 2083 15:40:40 95.351111 1.2787 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BFGS: 2111 15:40:40 90.099577 1.2260 BFGS: 2112 15:40:40 89.915959 1.2241 BFGS: 2113 15:40:40 89.732612 1.2222 BFGS: 2114 15:40:40 89.549534 1.2204 BFGS: 2115 15:40:40 89.366727 1.2185 BFGS: 2116 15:40:40 89.184189 1.2166 BFGS: 2117 15:40:40 89.001921 1.2148 BFGS: 2118 15:40:40 88.819922 1.2129 BFGS: 2119 15:40:40 88.638193 1.2111 BFGS: 2120 15:40:40 88.456733 1.2092 BFGS: 2121 15:40:40 88.275542 1.2074 BFGS: 2122 15:40:40 88.094620 1.2055 BFGS: 2123 15:40:40 87.913967 1.2037 BFGS: 2124 15:40:40 87.733582 1.2018 BFGS: 2125 15:40:40 87.553466 1.2000 BFGS: 2126 15:40:40 87.373619 1.1981 BFGS: 2127 15:40:40 87.194039 1.1963 BFGS: 2128 15:40:40 87.014728 1.1944 BFGS: 2129 15:40:40 86.835685 1.1926 BFGS: 2130 15:40:40 86.656909 1.1907 BFGS: 2131 15:40:40 86.478401 1.1889 BFGS: 2132 15:40:40 86.300161 1.1871 BFGS: 2133 15:40:40 86.122188 1.1852 BFGS: 2134 15:40:40 85.944483 1.1834 BFGS: 2135 15:40:40 85.767044 1.1816 BFGS: 2136 15:40:40 85.589873 1.1797 BFGS: 2137 15:40:40 85.412968 1.1779 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BFGS: 2192 15:40:41 76.089853 1.0792 BFGS: 2193 15:40:41 75.927655 1.0774 BFGS: 2194 15:40:41 75.765716 1.0756 BFGS: 2195 15:40:41 75.604035 1.0739 BFGS: 2196 15:40:41 75.442611 1.0721 BFGS: 2197 15:40:41 75.281445 1.0704 BFGS: 2198 15:40:41 75.120538 1.0686 BFGS: 2199 15:40:41 74.959887 1.0669 BFGS: 2200 15:40:41 74.799494 1.0651 BFGS: 2201 15:40:41 74.639349 1.0635 BFGS: 2202 15:40:41 74.479438 1.0619 BFGS: 2203 15:40:41 74.319760 1.0603 BFGS: 2204 15:40:41 74.160314 1.0587 BFGS: 2205 15:40:41 74.001101 1.0572 BFGS: 2206 15:40:41 73.842119 1.0556 BFGS: 2207 15:40:41 73.683368 1.0540 BFGS: 2208 15:40:42 73.524848 1.0524 BFGS: 2209 15:40:42 73.366559 1.0508 BFGS: 2210 15:40:42 73.208499 1.0492 BFGS: 2211 15:40:42 73.050670 1.0476 BFGS: 2212 15:40:42 72.893070 1.0461 BFGS: 2213 15:40:42 72.735699 1.0445 BFGS: 2214 15:40:42 72.578558 1.0429 BFGS: 2215 15:40:42 72.421645 1.0413 BFGS: 2216 15:40:42 72.264960 1.0397 BFGS: 2217 15:40:42 72.108505 1.0382 BFGS: 2218 15:40:42 71.952277 1.0366 BFGS: 2219 15:40:42 71.796277 1.0350 BFGS: 2220 15:40:42 71.640505 1.0334 BFGS: 2221 15:40:42 71.484960 1.0319 BFGS: 2222 15:40:42 71.329643 1.0303 BFGS: 2223 15:40:42 71.174553 1.0287 BFGS: 2224 15:40:42 71.019690 1.0271 BFGS: 2225 15:40:42 70.865054 1.0256 BFGS: 2226 15:40:42 70.710644 1.0240 BFGS: 2227 15:40:42 70.556461 1.0224 BFGS: 2228 15:40:42 70.402505 1.0209 BFGS: 2229 15:40:42 70.248774 1.0193 BFGS: 2230 15:40:42 70.095270 1.0178 BFGS: 2231 15:40:42 69.941991 1.0162 BFGS: 2232 15:40:42 69.788938 1.0146 BFGS: 2233 15:40:42 69.636111 1.0131 BFGS: 2234 15:40:42 69.483510 1.0115 BFGS: 2235 15:40:42 69.331133 1.0100 BFGS: 2236 15:40:42 69.178982 1.0084 BFGS: 2237 15:40:42 69.027056 1.0069 BFGS: 2238 15:40:42 68.875355 1.0053 BFGS: 2239 15:40:42 68.723878 1.0037 BFGS: 2240 15:40:42 68.572626 1.0022 BFGS: 2241 15:40:42 68.421599 1.0006 BFGS: 2242 15:40:42 68.270795 0.9991 BFGS: 2243 15:40:42 68.120216 0.9976 BFGS: 2244 15:40:42 67.969861 0.9960 BFGS: 2245 15:40:42 67.819730 0.9945 BFGS: 2246 15:40:42 67.669823 0.9929 BFGS: 2247 15:40:42 67.520140 0.9914 BFGS: 2248 15:40:42 67.370680 0.9898 BFGS: 2249 15:40:42 67.221443 0.9883 BFGS: 2250 15:40:42 67.072430 0.9868 BFGS: 2251 15:40:42 66.923640 0.9852 BFGS: 2252 15:40:42 66.775072 0.9837 BFGS: 2253 15:40:42 66.626728 0.9821 BFGS: 2254 15:40:42 66.478606 0.9806 BFGS: 2255 15:40:42 66.330707 0.9791 BFGS: 2256 15:40:42 66.183031 0.9775 BFGS: 2257 15:40:42 66.035577 0.9760 BFGS: 2258 15:40:42 65.888345 0.9745 BFGS: 2259 15:40:42 65.741335 0.9729 BFGS: 2260 15:40:42 65.594547 0.9714 BFGS: 2261 15:40:42 65.447981 0.9699 BFGS: 2262 15:40:42 65.301641 0.9684 BFGS: 2263 15:40:42 65.155526 0.9668 BFGS: 2264 15:40:42 65.009635 0.9653 BFGS: 2265 15:40:42 64.863970 0.9638 BFGS: 2266 15:40:42 64.718528 0.9623 BFGS: 2267 15:40:42 64.573312 0.9608 BFGS: 2268 15:40:42 64.428319 0.9592 BFGS: 2269 15:40:42 64.283551 0.9577 BFGS: 2270 15:40:42 64.139006 0.9562 BFGS: 2271 15:40:42 63.994686 0.9547 BFGS: 2272 15:40:42 63.850588 0.9532 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BFGS: 2300 15:40:43 59.905905 0.9112 BFGS: 2301 15:40:43 59.768213 0.9097 BFGS: 2302 15:40:43 59.630740 0.9082 BFGS: 2303 15:40:43 59.493481 0.9068 BFGS: 2304 15:40:43 59.356440 0.9054 BFGS: 2305 15:40:43 59.219615 0.9040 BFGS: 2306 15:40:43 59.083006 0.9026 BFGS: 2307 15:40:43 58.946613 0.9012 BFGS: 2308 15:40:43 58.810435 0.8998 BFGS: 2309 15:40:43 58.674472 0.8984 BFGS: 2310 15:40:43 58.538724 0.8971 BFGS: 2311 15:40:43 58.403191 0.8957 BFGS: 2312 15:40:43 58.267871 0.8943 BFGS: 2313 15:40:43 58.132766 0.8929 BFGS: 2314 15:40:43 57.997874 0.8915 BFGS: 2315 15:40:43 57.863196 0.8901 BFGS: 2316 15:40:43 57.728730 0.8887 BFGS: 2317 15:40:43 57.594478 0.8873 BFGS: 2318 15:40:43 57.460438 0.8860 BFGS: 2319 15:40:43 57.326610 0.8846 BFGS: 2320 15:40:43 57.192994 0.8832 BFGS: 2321 15:40:43 57.059590 0.8818 BFGS: 2322 15:40:43 56.926397 0.8804 BFGS: 2323 15:40:43 56.793415 0.8791 BFGS: 2324 15:40:43 56.660645 0.8777 BFGS: 2325 15:40:43 56.528085 0.8763 BFGS: 2326 15:40:43 56.395736 0.8749 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BFGS: 2354 15:40:44 52.774513 0.8369 BFGS: 2355 15:40:44 52.648174 0.8356 BFGS: 2356 15:40:44 52.522039 0.8342 BFGS: 2357 15:40:44 52.396108 0.8329 BFGS: 2358 15:40:44 52.270381 0.8315 BFGS: 2359 15:40:44 52.144858 0.8302 BFGS: 2360 15:40:44 52.019539 0.8289 BFGS: 2361 15:40:44 51.894422 0.8275 BFGS: 2362 15:40:44 51.769509 0.8262 BFGS: 2363 15:40:44 51.644799 0.8249 BFGS: 2364 15:40:44 51.520292 0.8235 BFGS: 2365 15:40:44 51.395988 0.8222 BFGS: 2366 15:40:44 51.271886 0.8209 BFGS: 2367 15:40:44 51.147986 0.8195 BFGS: 2368 15:40:44 51.024288 0.8182 BFGS: 2369 15:40:44 50.900793 0.8169 BFGS: 2370 15:40:44 50.777499 0.8155 BFGS: 2371 15:40:44 50.654407 0.8142 BFGS: 2372 15:40:44 50.531516 0.8129 BFGS: 2373 15:40:44 50.408827 0.8116 BFGS: 2374 15:40:44 50.286338 0.8102 BFGS: 2375 15:40:44 50.164051 0.8089 BFGS: 2376 15:40:44 50.041965 0.8076 BFGS: 2377 15:40:44 49.920079 0.8063 BFGS: 2378 15:40:44 49.798393 0.8049 BFGS: 2379 15:40:44 49.676908 0.8036 BFGS: 2380 15:40:44 49.555623 0.8023 BFGS: 2381 15:40:44 49.434538 0.8010 BFGS: 2382 15:40:44 49.313652 0.7997 BFGS: 2383 15:40:44 49.192967 0.7984 BFGS: 2384 15:40:44 49.072480 0.7970 BFGS: 2385 15:40:44 48.952193 0.7957 BFGS: 2386 15:40:44 48.832106 0.7944 BFGS: 2387 15:40:44 48.712217 0.7931 BFGS: 2388 15:40:44 48.592527 0.7918 BFGS: 2389 15:40:44 48.473035 0.7905 BFGS: 2390 15:40:44 48.353742 0.7892 BFGS: 2391 15:40:44 48.234648 0.7879 BFGS: 2392 15:40:44 48.115751 0.7866 BFGS: 2393 15:40:44 47.997053 0.7853 BFGS: 2394 15:40:44 47.878552 0.7839 BFGS: 2395 15:40:44 47.760250 0.7826 BFGS: 2396 15:40:44 47.642144 0.7813 BFGS: 2397 15:40:44 47.524236 0.7800 BFGS: 2398 15:40:44 47.406526 0.7787 BFGS: 2399 15:40:44 47.289012 0.7774 BFGS: 2400 15:40:44 47.171695 0.7761 BFGS: 2401 15:40:44 47.054576 0.7748 BFGS: 2402 15:40:44 46.937652 0.7735 BFGS: 2403 15:40:44 46.820925 0.7722 BFGS: 2404 15:40:44 46.704395 0.7709 BFGS: 2405 15:40:44 46.588060 0.7697 BFGS: 2406 15:40:44 46.471922 0.7684 BFGS: 2407 15:40:45 46.355979 0.7671 BFGS: 2408 15:40:45 46.240232 0.7658 BFGS: 2409 15:40:45 46.124681 0.7645 BFGS: 2410 15:40:45 46.009325 0.7632 BFGS: 2411 15:40:45 45.894164 0.7619 BFGS: 2412 15:40:45 45.779198 0.7606 BFGS: 2413 15:40:45 45.664428 0.7593 BFGS: 2414 15:40:45 45.549852 0.7580 BFGS: 2415 15:40:45 45.435470 0.7568 BFGS: 2416 15:40:45 45.321283 0.7555 BFGS: 2417 15:40:45 45.207291 0.7542 BFGS: 2418 15:40:45 45.093492 0.7529 BFGS: 2419 15:40:45 44.979888 0.7516 BFGS: 2420 15:40:45 44.866478 0.7503 BFGS: 2421 15:40:45 44.753261 0.7491 BFGS: 2422 15:40:45 44.640238 0.7478 BFGS: 2423 15:40:45 44.527408 0.7465 BFGS: 2424 15:40:45 44.414772 0.7452 BFGS: 2425 15:40:45 44.302328 0.7440 BFGS: 2426 15:40:45 44.190078 0.7427 BFGS: 2427 15:40:45 44.078020 0.7414 BFGS: 2428 15:40:45 43.966156 0.7401 BFGS: 2429 15:40:45 43.854484 0.7389 BFGS: 2430 15:40:45 43.743004 0.7376 BFGS: 2431 15:40:45 43.631716 0.7363 BFGS: 2432 15:40:45 43.520621 0.7351 BFGS: 2433 15:40:45 43.409718 0.7338 BFGS: 2434 15:40:45 43.299006 0.7325 BFGS: 2435 15:40:45 43.188486 0.7313 BFGS: 2436 15:40:45 43.078158 0.7300 BFGS: 2437 15:40:45 42.968021 0.7287 BFGS: 2438 15:40:45 42.858075 0.7275 BFGS: 2439 15:40:45 42.748321 0.7262 BFGS: 2440 15:40:45 42.638757 0.7249 BFGS: 2441 15:40:45 42.529384 0.7237 BFGS: 2442 15:40:45 42.420202 0.7224 BFGS: 2443 15:40:45 42.311211 0.7212 BFGS: 2444 15:40:45 42.202410 0.7199 BFGS: 2445 15:40:45 42.093799 0.7186 BFGS: 2446 15:40:45 41.985378 0.7174 BFGS: 2447 15:40:45 41.877148 0.7161 BFGS: 2448 15:40:45 41.769107 0.7149 BFGS: 2449 15:40:45 41.661256 0.7136 BFGS: 2450 15:40:45 41.553594 0.7124 BFGS: 2451 15:40:45 41.446122 0.7111 BFGS: 2452 15:40:45 41.338839 0.7099 BFGS: 2453 15:40:45 41.231745 0.7086 BFGS: 2454 15:40:45 41.124840 0.7074 BFGS: 2455 15:40:45 41.018125 0.7061 BFGS: 2456 15:40:45 40.911598 0.7049 BFGS: 2457 15:40:45 40.805259 0.7036 BFGS: 2458 15:40:45 40.699109 0.7024 BFGS: 2459 15:40:45 40.593147 0.7012 BFGS: 2460 15:40:45 40.487374 0.6999 BFGS: 2461 15:40:45 40.381788 0.6987 BFGS: 2462 15:40:45 40.276391 0.6974 BFGS: 2463 15:40:45 40.171181 0.6962 BFGS: 2464 15:40:45 40.066159 0.6949 BFGS: 2465 15:40:45 39.961324 0.6937 BFGS: 2466 15:40:45 39.856677 0.6925 BFGS: 2467 15:40:45 39.752217 0.6912 BFGS: 2468 15:40:45 39.647944 0.6900 BFGS: 2469 15:40:45 39.543858 0.6888 BFGS: 2470 15:40:45 39.439958 0.6875 BFGS: 2471 15:40:45 39.336246 0.6863 BFGS: 2472 15:40:45 39.232720 0.6851 BFGS: 2473 15:40:45 39.129380 0.6838 BFGS: 2474 15:40:45 39.026227 0.6826 BFGS: 2475 15:40:45 38.923260 0.6814 BFGS: 2476 15:40:46 38.820479 0.6802 BFGS: 2477 15:40:46 38.717884 0.6789 BFGS: 2478 15:40:46 38.615474 0.6777 BFGS: 2479 15:40:46 38.513251 0.6765 BFGS: 2480 15:40:46 38.411212 0.6753 BFGS: 2481 15:40:46 38.309359 0.6740 BFGS: 2482 15:40:46 38.207692 0.6728 BFGS: 2483 15:40:46 38.106209 0.6716 BFGS: 2484 15:40:46 38.004911 0.6704 BFGS: 2485 15:40:46 37.903799 0.6692 BFGS: 2486 15:40:46 37.802870 0.6679 BFGS: 2487 15:40:46 37.702127 0.6667 BFGS: 2488 15:40:46 37.601568 0.6655 BFGS: 2489 15:40:46 37.501193 0.6643 BFGS: 2490 15:40:46 37.401002 0.6631 BFGS: 2491 15:40:46 37.300996 0.6619 BFGS: 2492 15:40:46 37.201173 0.6606 BFGS: 2493 15:40:46 37.101534 0.6594 BFGS: 2494 15:40:46 37.002079 0.6582 BFGS: 2495 15:40:46 36.902808 0.6570 BFGS: 2496 15:40:46 36.803719 0.6558 BFGS: 2497 15:40:46 36.704814 0.6546 BFGS: 2498 15:40:46 36.606093 0.6534 BFGS: 2499 15:40:46 36.507554 0.6522 BFGS: 2500 15:40:46 36.409198 0.6510 BFGS: 2501 15:40:46 36.311025 0.6498 BFGS: 2502 15:40:46 36.213029 0.6486 BFGS: 2503 15:40:46 36.115207 0.6474 BFGS: 2504 15:40:46 36.017558 0.6462 BFGS: 2505 15:40:46 35.920084 0.6450 BFGS: 2506 15:40:46 35.822782 0.6438 BFGS: 2507 15:40:46 35.725654 0.6426 BFGS: 2508 15:40:46 35.628698 0.6414 BFGS: 2509 15:40:46 35.531915 0.6402 BFGS: 2510 15:40:46 35.435305 0.6390 BFGS: 2511 15:40:46 35.338867 0.6378 BFGS: 2512 15:40:46 35.242601 0.6366 BFGS: 2513 15:40:46 35.146507 0.6354 BFGS: 2514 15:40:46 35.050585 0.6342 BFGS: 2515 15:40:46 34.954835 0.6330 BFGS: 2516 15:40:46 34.859256 0.6318 BFGS: 2517 15:40:46 34.763849 0.6306 BFGS: 2518 15:40:46 34.668613 0.6295 BFGS: 2519 15:40:46 34.573548 0.6283 BFGS: 2520 15:40:46 34.478654 0.6271 BFGS: 2521 15:40:46 34.383931 0.6259 BFGS: 2522 15:40:46 34.289379 0.6247 BFGS: 2523 15:40:46 34.194997 0.6235 BFGS: 2524 15:40:46 34.100786 0.6223 BFGS: 2525 15:40:46 34.006746 0.6212 BFGS: 2526 15:40:46 33.912875 0.6200 BFGS: 2527 15:40:46 33.819175 0.6188 BFGS: 2528 15:40:46 33.725644 0.6176 BFGS: 2529 15:40:46 33.632284 0.6164 BFGS: 2530 15:40:46 33.539093 0.6153 BFGS: 2531 15:40:46 33.446072 0.6141 BFGS: 2532 15:40:46 33.353221 0.6129 BFGS: 2533 15:40:46 33.260539 0.6117 BFGS: 2534 15:40:46 33.168026 0.6106 BFGS: 2535 15:40:46 33.075683 0.6094 BFGS: 2536 15:40:46 32.983509 0.6082 BFGS: 2537 15:40:46 32.891504 0.6071 BFGS: 2538 15:40:46 32.799668 0.6059 BFGS: 2539 15:40:46 32.708001 0.6047 BFGS: 2540 15:40:46 32.616502 0.6035 BFGS: 2541 15:40:46 32.525172 0.6024 BFGS: 2542 15:40:46 32.434011 0.6012 BFGS: 2543 15:40:46 32.343018 0.6000 BFGS: 2544 15:40:47 32.252194 0.5989 BFGS: 2545 15:40:47 32.161538 0.5977 BFGS: 2546 15:40:47 32.071050 0.5965 BFGS: 2547 15:40:47 31.980731 0.5954 BFGS: 2548 15:40:47 31.890579 0.5942 BFGS: 2549 15:40:47 31.800595 0.5931 BFGS: 2550 15:40:47 31.710780 0.5919 BFGS: 2551 15:40:47 31.621132 0.5907 BFGS: 2552 15:40:47 31.531651 0.5896 BFGS: 2553 15:40:47 31.442338 0.5884 BFGS: 2554 15:40:47 31.353193 0.5873 BFGS: 2555 15:40:47 31.264215 0.5861 BFGS: 2556 15:40:47 31.175405 0.5850 BFGS: 2557 15:40:47 31.086762 0.5838 BFGS: 2558 15:40:47 30.998286 0.5827 BFGS: 2559 15:40:47 30.909977 0.5815 BFGS: 2560 15:40:47 30.821835 0.5803 BFGS: 2561 15:40:47 30.733860 0.5792 BFGS: 2562 15:40:47 30.646052 0.5780 BFGS: 2563 15:40:47 30.558411 0.5769 BFGS: 2564 15:40:47 30.470936 0.5757 BFGS: 2565 15:40:47 30.383628 0.5746 BFGS: 2566 15:40:47 30.296487 0.5735 BFGS: 2567 15:40:47 30.209512 0.5723 BFGS: 2568 15:40:47 30.122703 0.5712 BFGS: 2569 15:40:47 30.036061 0.5700 BFGS: 2570 15:40:47 29.949585 0.5689 BFGS: 2571 15:40:47 29.863275 0.5677 BFGS: 2572 15:40:47 29.777132 0.5666 BFGS: 2573 15:40:47 29.691154 0.5655 BFGS: 2574 15:40:47 29.605342 0.5643 BFGS: 2575 15:40:47 29.519696 0.5632 BFGS: 2576 15:40:47 29.434216 0.5620 BFGS: 2577 15:40:47 29.348902 0.5609 BFGS: 2578 15:40:47 29.263753 0.5598 BFGS: 2579 15:40:47 29.178770 0.5586 BFGS: 2580 15:40:47 29.093952 0.5575 BFGS: 2581 15:40:47 29.009299 0.5564 BFGS: 2582 15:40:47 28.924812 0.5552 BFGS: 2583 15:40:47 28.840491 0.5541 BFGS: 2584 15:40:47 28.756334 0.5530 BFGS: 2585 15:40:47 28.672343 0.5518 BFGS: 2586 15:40:47 28.588516 0.5507 BFGS: 2587 15:40:47 28.504855 0.5496 BFGS: 2588 15:40:47 28.421358 0.5485 BFGS: 2589 15:40:47 28.338027 0.5473 BFGS: 2590 15:40:47 28.254860 0.5462 BFGS: 2591 15:40:47 28.171857 0.5451 BFGS: 2592 15:40:47 28.089020 0.5440 BFGS: 2593 15:40:47 28.006347 0.5428 BFGS: 2594 15:40:47 27.923838 0.5417 BFGS: 2595 15:40:47 27.841494 0.5406 BFGS: 2596 15:40:47 27.759314 0.5395 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BFGS: 2624 15:40:48 25.522288 0.5103 BFGS: 2625 15:40:48 25.444619 0.5093 BFGS: 2626 15:40:48 25.367101 0.5083 BFGS: 2627 15:40:48 25.289734 0.5073 BFGS: 2628 15:40:48 25.212518 0.5063 BFGS: 2629 15:40:48 25.135453 0.5053 BFGS: 2630 15:40:48 25.058538 0.5043 BFGS: 2631 15:40:48 24.981774 0.5033 BFGS: 2632 15:40:48 24.905160 0.5023 BFGS: 2633 15:40:48 24.828696 0.5013 BFGS: 2634 15:40:48 24.752383 0.5003 BFGS: 2635 15:40:48 24.676219 0.4993 BFGS: 2636 15:40:48 24.600205 0.4983 BFGS: 2637 15:40:48 24.524341 0.4973 BFGS: 2638 15:40:48 24.448626 0.4963 BFGS: 2639 15:40:48 24.373060 0.4953 BFGS: 2640 15:40:48 24.297644 0.4943 BFGS: 2641 15:40:48 24.222377 0.4933 BFGS: 2642 15:40:48 24.147258 0.4923 BFGS: 2643 15:40:48 24.072289 0.4914 BFGS: 2644 15:40:48 23.997468 0.4904 BFGS: 2645 15:40:48 23.922795 0.4894 BFGS: 2646 15:40:48 23.848272 0.4884 BFGS: 2647 15:40:48 23.773896 0.4874 BFGS: 2648 15:40:48 23.699668 0.4864 BFGS: 2649 15:40:48 23.625589 0.4855 BFGS: 2650 15:40:48 23.551658 0.4845 BFGS: 2651 15:40:48 23.477874 0.4835 BFGS: 2652 15:40:48 23.404238 0.4825 BFGS: 2653 15:40:48 23.330750 0.4816 BFGS: 2654 15:40:48 23.257409 0.4806 BFGS: 2655 15:40:48 23.184215 0.4796 BFGS: 2656 15:40:48 23.111169 0.4786 BFGS: 2657 15:40:48 23.038270 0.4777 BFGS: 2658 15:40:48 22.965518 0.4767 BFGS: 2659 15:40:48 22.892913 0.4757 BFGS: 2660 15:40:48 22.820455 0.4748 BFGS: 2661 15:40:48 22.748143 0.4738 BFGS: 2662 15:40:48 22.675978 0.4728 BFGS: 2663 15:40:48 22.603959 0.4719 BFGS: 2664 15:40:48 22.532087 0.4709 BFGS: 2665 15:40:48 22.460361 0.4700 BFGS: 2666 15:40:48 22.388782 0.4690 BFGS: 2667 15:40:48 22.317348 0.4680 BFGS: 2668 15:40:48 22.246061 0.4671 BFGS: 2669 15:40:48 22.174919 0.4661 BFGS: 2670 15:40:48 22.103923 0.4652 BFGS: 2671 15:40:48 22.033073 0.4642 BFGS: 2672 15:40:48 21.962369 0.4633 BFGS: 2673 15:40:48 21.891809 0.4623 BFGS: 2674 15:40:48 21.821396 0.4614 BFGS: 2675 15:40:48 21.751128 0.4604 BFGS: 2676 15:40:48 21.681004 0.4594 BFGS: 2677 15:40:48 21.611026 0.4585 BFGS: 2678 15:40:49 21.541194 0.4576 BFGS: 2679 15:40:49 21.471506 0.4566 BFGS: 2680 15:40:49 21.401962 0.4557 BFGS: 2681 15:40:49 21.332564 0.4547 BFGS: 2682 15:40:49 21.263311 0.4538 BFGS: 2683 15:40:49 21.194201 0.4528 BFGS: 2684 15:40:49 21.125237 0.4519 BFGS: 2685 15:40:49 21.056417 0.4509 BFGS: 2686 15:40:49 20.987741 0.4500 BFGS: 2687 15:40:49 20.919210 0.4491 BFGS: 2688 15:40:49 20.850822 0.4481 BFGS: 2689 15:40:49 20.782579 0.4472 BFGS: 2690 15:40:49 20.714480 0.4462 BFGS: 2691 15:40:49 20.646524 0.4453 BFGS: 2692 15:40:49 20.578713 0.4444 BFGS: 2693 15:40:49 20.511045 0.4434 BFGS: 2694 15:40:49 20.443521 0.4425 BFGS: 2695 15:40:49 20.376140 0.4416 BFGS: 2696 15:40:49 20.308903 0.4406 BFGS: 2697 15:40:49 20.241810 0.4397 BFGS: 2698 15:40:49 20.174860 0.4388 BFGS: 2699 15:40:49 20.108053 0.4379 BFGS: 2700 15:40:49 20.041389 0.4369 BFGS: 2701 15:40:49 19.974869 0.4360 BFGS: 2702 15:40:49 19.908491 0.4351 BFGS: 2703 15:40:49 19.842257 0.4341 BFGS: 2704 15:40:49 19.776165 0.4332 BFGS: 2705 15:40:49 19.710216 0.4323 BFGS: 2706 15:40:49 19.644410 0.4314 BFGS: 2707 15:40:49 19.578747 0.4305 BFGS: 2708 15:40:49 19.513226 0.4295 BFGS: 2709 15:40:49 19.447848 0.4286 BFGS: 2710 15:40:49 19.382612 0.4277 BFGS: 2711 15:40:49 19.317518 0.4268 BFGS: 2712 15:40:49 19.252567 0.4259 BFGS: 2713 15:40:49 19.187758 0.4249 BFGS: 2714 15:40:49 19.123092 0.4240 BFGS: 2715 15:40:49 19.058567 0.4231 BFGS: 2716 15:40:49 18.994185 0.4222 BFGS: 2717 15:40:49 18.929944 0.4213 BFGS: 2718 15:40:49 18.865845 0.4204 BFGS: 2719 15:40:49 18.801888 0.4195 BFGS: 2720 15:40:49 18.738073 0.4186 BFGS: 2721 15:40:49 18.674400 0.4176 BFGS: 2722 15:40:49 18.610868 0.4167 BFGS: 2723 15:40:49 18.547478 0.4158 BFGS: 2724 15:40:49 18.484229 0.4149 BFGS: 2725 15:40:49 18.421121 0.4140 BFGS: 2726 15:40:49 18.358155 0.4131 BFGS: 2727 15:40:49 18.295331 0.4122 BFGS: 2728 15:40:49 18.232647 0.4113 BFGS: 2729 15:40:49 18.170105 0.4104 BFGS: 2730 15:40:49 18.107703 0.4095 BFGS: 2731 15:40:49 18.045443 0.4086 BFGS: 2732 15:40:49 17.983324 0.4077 BFGS: 2733 15:40:49 17.921345 0.4068 BFGS: 2734 15:40:49 17.859507 0.4059 BFGS: 2735 15:40:49 17.797810 0.4050 BFGS: 2736 15:40:49 17.736254 0.4041 BFGS: 2737 15:40:49 17.674839 0.4032 BFGS: 2738 15:40:49 17.613564 0.4023 BFGS: 2739 15:40:49 17.552429 0.4014 BFGS: 2740 15:40:49 17.491435 0.4005 BFGS: 2741 15:40:49 17.430581 0.3996 BFGS: 2742 15:40:49 17.369868 0.3987 BFGS: 2743 15:40:49 17.309295 0.3978 BFGS: 2744 15:40:50 17.248862 0.3970 BFGS: 2745 15:40:50 17.188569 0.3961 BFGS: 2746 15:40:50 17.128416 0.3952 BFGS: 2747 15:40:50 17.068403 0.3943 BFGS: 2748 15:40:50 17.008530 0.3934 BFGS: 2749 15:40:50 16.948797 0.3925 BFGS: 2750 15:40:50 16.889204 0.3916 BFGS: 2751 15:40:50 16.829750 0.3907 BFGS: 2752 15:40:50 16.770437 0.3899 BFGS: 2753 15:40:50 16.711262 0.3890 BFGS: 2754 15:40:50 16.652228 0.3881 BFGS: 2755 15:40:50 16.593333 0.3872 BFGS: 2756 15:40:50 16.534577 0.3863 BFGS: 2757 15:40:50 16.475961 0.3854 BFGS: 2758 15:40:50 16.417484 0.3846 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BFGS: 2786 15:40:50 14.836359 0.3605 BFGS: 2787 15:40:50 14.781861 0.3597 BFGS: 2788 15:40:50 14.727494 0.3589 BFGS: 2789 15:40:50 14.673256 0.3581 BFGS: 2790 15:40:50 14.619149 0.3572 BFGS: 2791 15:40:50 14.565172 0.3564 BFGS: 2792 15:40:50 14.511324 0.3556 BFGS: 2793 15:40:50 14.457606 0.3548 BFGS: 2794 15:40:50 14.404016 0.3540 BFGS: 2795 15:40:50 14.350555 0.3532 BFGS: 2796 15:40:50 14.297223 0.3524 BFGS: 2797 15:40:50 14.244018 0.3516 BFGS: 2798 15:40:50 14.190942 0.3509 BFGS: 2799 15:40:50 14.137994 0.3501 BFGS: 2800 15:40:50 14.085172 0.3493 BFGS: 2801 15:40:50 14.032479 0.3485 BFGS: 2802 15:40:50 13.979912 0.3477 BFGS: 2803 15:40:50 13.927472 0.3469 BFGS: 2804 15:40:50 13.875159 0.3461 BFGS: 2805 15:40:50 13.822972 0.3453 BFGS: 2806 15:40:50 13.770911 0.3445 BFGS: 2807 15:40:50 13.718977 0.3438 BFGS: 2808 15:40:50 13.667168 0.3430 BFGS: 2809 15:40:50 13.615485 0.3422 BFGS: 2810 15:40:51 13.563927 0.3414 BFGS: 2811 15:40:51 13.512494 0.3406 BFGS: 2812 15:40:51 13.461187 0.3399 BFGS: 2813 15:40:51 13.410004 0.3391 BFGS: 2814 15:40:51 13.358946 0.3383 BFGS: 2815 15:40:51 13.308013 0.3375 BFGS: 2816 15:40:51 13.257204 0.3368 BFGS: 2817 15:40:51 13.206519 0.3360 BFGS: 2818 15:40:51 13.155958 0.3352 BFGS: 2819 15:40:51 13.105521 0.3344 BFGS: 2820 15:40:51 13.055207 0.3337 BFGS: 2821 15:40:51 13.005017 0.3329 BFGS: 2822 15:40:51 12.954950 0.3321 BFGS: 2823 15:40:51 12.905007 0.3314 BFGS: 2824 15:40:51 12.855186 0.3306 BFGS: 2825 15:40:51 12.805488 0.3298 BFGS: 2826 15:40:51 12.755913 0.3291 BFGS: 2827 15:40:51 12.706460 0.3283 BFGS: 2828 15:40:51 12.657130 0.3276 BFGS: 2829 15:40:51 12.607922 0.3268 BFGS: 2830 15:40:51 12.558836 0.3260 BFGS: 2831 15:40:51 12.509872 0.3253 BFGS: 2832 15:40:51 12.461029 0.3245 BFGS: 2833 15:40:51 12.412308 0.3238 BFGS: 2834 15:40:51 12.363709 0.3230 BFGS: 2835 15:40:51 12.315231 0.3223 BFGS: 2836 15:40:51 12.266874 0.3215 BFGS: 2837 15:40:51 12.218638 0.3208 BFGS: 2838 15:40:51 12.170523 0.3200 BFGS: 2839 15:40:51 12.122529 0.3193 BFGS: 2840 15:40:51 12.074655 0.3185 BFGS: 2841 15:40:51 12.026902 0.3178 BFGS: 2842 15:40:51 11.979269 0.3170 BFGS: 2843 15:40:51 11.931756 0.3163 BFGS: 2844 15:40:51 11.884363 0.3155 BFGS: 2845 15:40:51 11.837091 0.3148 BFGS: 2846 15:40:51 11.789937 0.3140 BFGS: 2847 15:40:51 11.742904 0.3133 BFGS: 2848 15:40:51 11.695990 0.3125 BFGS: 2849 15:40:51 11.649196 0.3118 BFGS: 2850 15:40:51 11.602520 0.3111 BFGS: 2851 15:40:51 11.555964 0.3103 BFGS: 2852 15:40:51 11.509527 0.3096 BFGS: 2853 15:40:51 11.463208 0.3089 BFGS: 2854 15:40:51 11.417009 0.3081 BFGS: 2855 15:40:51 11.370928 0.3074 BFGS: 2856 15:40:51 11.324965 0.3066 BFGS: 2857 15:40:51 11.279121 0.3059 BFGS: 2858 15:40:51 11.233395 0.3052 BFGS: 2859 15:40:51 11.187787 0.3044 BFGS: 2860 15:40:51 11.142297 0.3037 BFGS: 2861 15:40:51 11.096925 0.3030 BFGS: 2862 15:40:51 11.051671 0.3023 BFGS: 2863 15:40:51 11.006534 0.3015 BFGS: 2864 15:40:51 10.961514 0.3008 BFGS: 2865 15:40:51 10.916613 0.3001 BFGS: 2866 15:40:51 10.871828 0.2993 BFGS: 2867 15:40:51 10.827160 0.2986 BFGS: 2868 15:40:51 10.782610 0.2979 BFGS: 2869 15:40:51 10.738176 0.2972 BFGS: 2870 15:40:51 10.693859 0.2964 BFGS: 2871 15:40:51 10.649659 0.2957 BFGS: 2872 15:40:51 10.605575 0.2950 BFGS: 2873 15:40:51 10.561608 0.2943 BFGS: 2874 15:40:51 10.517757 0.2936 BFGS: 2875 15:40:51 10.474022 0.2928 BFGS: 2876 15:40:52 10.430403 0.2921 BFGS: 2877 15:40:52 10.386901 0.2914 BFGS: 2878 15:40:52 10.343514 0.2907 BFGS: 2879 15:40:52 10.300242 0.2900 BFGS: 2880 15:40:52 10.257087 0.2893 BFGS: 2881 15:40:52 10.214047 0.2885 BFGS: 2882 15:40:52 10.171122 0.2878 BFGS: 2883 15:40:52 10.128313 0.2871 BFGS: 2884 15:40:52 10.085619 0.2864 BFGS: 2885 15:40:52 10.043039 0.2857 BFGS: 2886 15:40:52 10.000575 0.2850 BFGS: 2887 15:40:52 9.958226 0.2843 BFGS: 2888 15:40:52 9.915991 0.2836 BFGS: 2889 15:40:52 9.873872 0.2829 BFGS: 2890 15:40:52 9.831866 0.2821 BFGS: 2891 15:40:52 9.789975 0.2814 BFGS: 2892 15:40:52 9.748198 0.2807 BFGS: 2893 15:40:52 9.706536 0.2800 BFGS: 2894 15:40:52 9.664988 0.2793 BFGS: 2895 15:40:52 9.623553 0.2786 BFGS: 2896 15:40:52 9.582233 0.2779 BFGS: 2897 15:40:52 9.541026 0.2772 BFGS: 2898 15:40:52 9.499933 0.2765 BFGS: 2899 15:40:52 9.458954 0.2758 BFGS: 2900 15:40:52 9.418088 0.2751 BFGS: 2901 15:40:52 9.377335 0.2744 BFGS: 2902 15:40:52 9.336696 0.2737 BFGS: 2903 15:40:52 9.296170 0.2730 BFGS: 2904 15:40:52 9.255757 0.2723 BFGS: 2905 15:40:52 9.215456 0.2716 BFGS: 2906 15:40:52 9.175267 0.2709 BFGS: 2907 15:40:52 9.135190 0.2702 BFGS: 2908 15:40:52 9.095222 0.2696 BFGS: 2909 15:40:52 9.055366 0.2689 BFGS: 2910 15:40:52 9.015620 0.2682 BFGS: 2911 15:40:52 8.975984 0.2675 BFGS: 2912 15:40:52 8.936459 0.2668 BFGS: 2913 15:40:52 8.897043 0.2661 BFGS: 2914 15:40:52 8.857737 0.2654 BFGS: 2915 15:40:52 8.818540 0.2647 BFGS: 2916 15:40:52 8.779453 0.2641 BFGS: 2917 15:40:52 8.740475 0.2634 BFGS: 2918 15:40:52 8.701605 0.2627 BFGS: 2919 15:40:52 8.662845 0.2620 BFGS: 2920 15:40:52 8.624194 0.2613 BFGS: 2921 15:40:52 8.585651 0.2606 BFGS: 2922 15:40:52 8.547216 0.2600 BFGS: 2923 15:40:52 8.508890 0.2593 BFGS: 2924 15:40:52 8.470672 0.2586 BFGS: 2925 15:40:52 8.432562 0.2579 BFGS: 2926 15:40:52 8.394559 0.2572 BFGS: 2927 15:40:52 8.356665 0.2565 BFGS: 2928 15:40:52 8.318877 0.2559 BFGS: 2929 15:40:52 8.281198 0.2552 BFGS: 2930 15:40:52 8.243625 0.2545 BFGS: 2931 15:40:52 8.206160 0.2538 BFGS: 2932 15:40:52 8.168802 0.2531 BFGS: 2933 15:40:52 8.131550 0.2525 BFGS: 2934 15:40:52 8.094405 0.2518 BFGS: 2935 15:40:52 8.057368 0.2511 BFGS: 2936 15:40:52 8.020436 0.2504 BFGS: 2937 15:40:52 7.983611 0.2497 BFGS: 2938 15:40:52 7.946892 0.2491 BFGS: 2939 15:40:52 7.910280 0.2484 BFGS: 2940 15:40:52 7.873773 0.2477 BFGS: 2941 15:40:53 7.837372 0.2470 BFGS: 2942 15:40:53 7.801078 0.2464 BFGS: 2943 15:40:53 7.764888 0.2457 BFGS: 2944 15:40:53 7.728805 0.2450 BFGS: 2945 15:40:53 7.692827 0.2443 BFGS: 2946 15:40:53 7.656954 0.2437 BFGS: 2947 15:40:53 7.621187 0.2430 BFGS: 2948 15:40:53 7.585525 0.2423 BFGS: 2949 15:40:53 7.549968 0.2417 BFGS: 2950 15:40:53 7.514515 0.2410 BFGS: 2951 15:40:53 7.479168 0.2403 BFGS: 2952 15:40:53 7.443925 0.2396 BFGS: 2953 15:40:53 7.408787 0.2390 BFGS: 2954 15:40:53 7.373754 0.2383 BFGS: 2955 15:40:53 7.338825 0.2376 BFGS: 2956 15:40:53 7.304001 0.2370 BFGS: 2957 15:40:53 7.269281 0.2363 BFGS: 2958 15:40:53 7.234665 0.2356 BFGS: 2959 15:40:53 7.200154 0.2350 BFGS: 2960 15:40:53 7.165747 0.2343 BFGS: 2961 15:40:53 7.131444 0.2336 BFGS: 2962 15:40:53 7.097246 0.2330 BFGS: 2963 15:40:53 7.063151 0.2323 BFGS: 2964 15:40:53 7.029160 0.2316 BFGS: 2965 15:40:53 6.995272 0.2310 BFGS: 2966 15:40:53 6.961489 0.2303 BFGS: 2967 15:40:53 6.927809 0.2297 BFGS: 2968 15:40:53 6.894232 0.2290 BFGS: 2969 15:40:53 6.860759 0.2283 BFGS: 2970 15:40:53 6.827389 0.2277 BFGS: 2971 15:40:53 6.794123 0.2270 BFGS: 2972 15:40:53 6.760959 0.2264 BFGS: 2973 15:40:53 6.727899 0.2257 BFGS: 2974 15:40:53 6.694941 0.2250 BFGS: 2975 15:40:53 6.662086 0.2244 BFGS: 2976 15:40:53 6.629334 0.2237 BFGS: 2977 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2.056907 0.1103 BFGS: 3172 15:40:56 2.042147 0.1097 BFGS: 3173 15:40:56 2.027469 0.1092 BFGS: 3174 15:40:56 2.012873 0.1086 BFGS: 3175 15:40:56 1.998359 0.1081 BFGS: 3176 15:40:56 1.983927 0.1076 BFGS: 3177 15:40:56 1.969577 0.1070 BFGS: 3178 15:40:56 1.955309 0.1065 BFGS: 3179 15:40:56 1.941122 0.1060 BFGS: 3180 15:40:56 1.927017 0.1054 BFGS: 3181 15:40:56 1.912994 0.1049 BFGS: 3182 15:40:56 1.899051 0.1043 BFGS: 3183 15:40:56 1.885190 0.1038 BFGS: 3184 15:40:56 1.871410 0.1033 BFGS: 3185 15:40:56 1.857711 0.1027 BFGS: 3186 15:40:56 1.844093 0.1022 BFGS: 3187 15:40:56 1.830556 0.1017 BFGS: 3188 15:40:56 1.817099 0.1011 BFGS: 3189 15:40:56 1.803723 0.1006 BFGS: 3190 15:40:56 1.790425 0.1001 BFGS: 3191 15:40:56 1.777202 0.0996 BFGS: 3192 15:40:56 1.764056 0.0991 BFGS: 3193 15:40:56 1.750985 0.0986 BFGS: 3194 15:40:56 1.737989 0.0981 BFGS: 3195 15:40:56 1.725067 0.0976 BFGS: 3196 15:40:56 1.712219 0.0971 BFGS: 3197 15:40:56 1.699445 0.0966 BFGS: 3198 15:40:56 1.686744 0.0962 BFGS: 3199 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15:40:58 0.647964 0.0810 BFGS: 3311 15:40:58 0.641459 0.0814 BFGS: 3312 15:40:58 0.634994 0.0817 BFGS: 3313 15:40:58 0.628570 0.0821 BFGS: 3314 15:40:58 0.622187 0.0824 BFGS: 3315 15:40:58 0.615843 0.0827 BFGS: 3316 15:40:58 0.609540 0.0830 BFGS: 3317 15:40:58 0.603277 0.0834 BFGS: 3318 15:40:58 0.597055 0.0837 BFGS: 3319 15:40:58 0.590873 0.0840 BFGS: 3320 15:40:58 0.584730 0.0843 BFGS: 3321 15:40:58 0.578625 0.0846 BFGS: 3322 15:40:58 0.572558 0.0848 BFGS: 3323 15:40:58 0.566528 0.0851 BFGS: 3324 15:40:58 0.560536 0.0854 BFGS: 3325 15:40:58 0.554580 0.0856 BFGS: 3326 15:40:58 0.548661 0.0858 BFGS: 3327 15:40:58 0.542779 0.0860 BFGS: 3328 15:40:58 0.536933 0.0862 BFGS: 3329 15:40:58 0.531123 0.0864 BFGS: 3330 15:40:59 0.525349 0.0866 BFGS: 3331 15:40:59 0.519611 0.0867 BFGS: 3332 15:40:59 0.513909 0.0869 BFGS: 3333 15:40:59 0.508242 0.0870 BFGS: 3334 15:40:59 0.502611 0.0871 BFGS: 3335 15:40:59 0.497015 0.0872 BFGS: 3336 15:40:59 0.491454 0.0873 BFGS: 3337 15:40:59 0.485929 0.0874 BFGS: 3338 15:40:59 0.480438 0.0875 BFGS: 3339 15:40:59 0.474982 0.0876 BFGS: 3340 15:40:59 0.469560 0.0876 BFGS: 3341 15:40:59 0.464174 0.0877 BFGS: 3342 15:40:59 0.458821 0.0877 BFGS: 3343 15:40:59 0.453503 0.0877 BFGS: 3344 15:40:59 0.448220 0.0877 BFGS: 3345 15:40:59 0.442970 0.0877 BFGS: 3346 15:40:59 0.437755 0.0877 BFGS: 3347 15:40:59 0.432573 0.0877 BFGS: 3348 15:40:59 0.427425 0.0877 BFGS: 3349 15:40:59 0.422312 0.0876 BFGS: 3350 15:40:59 0.417232 0.0876 BFGS: 3351 15:40:59 0.412185 0.0875 BFGS: 3352 15:40:59 0.407172 0.0875 BFGS: 3353 15:40:59 0.402193 0.0874 BFGS: 3354 15:40:59 0.397247 0.0873 BFGS: 3355 15:40:59 0.392334 0.0872 BFGS: 3356 15:40:59 0.387455 0.0871 BFGS: 3357 15:40:59 0.382609 0.0870 BFGS: 3358 15:40:59 0.377796 0.0869 BFGS: 3359 15:40:59 0.373016 0.0868 BFGS: 3360 15:40:59 0.368269 0.0866 BFGS: 3361 15:40:59 0.363555 0.0865 BFGS: 3362 15:40:59 0.358874 0.0863 BFGS: 3363 15:40:59 0.354225 0.0862 BFGS: 3364 15:40:59 0.349610 0.0860 BFGS: 3365 15:40:59 0.345027 0.0858 BFGS: 3366 15:40:59 0.340477 0.0856 BFGS: 3367 15:40:59 0.335959 0.0854 BFGS: 3368 15:40:59 0.331474 0.0852 BFGS: 3369 15:40:59 0.327021 0.0850 BFGS: 3370 15:40:59 0.322601 0.0848 BFGS: 3371 15:40:59 0.318213 0.0846 BFGS: 3372 15:40:59 0.313857 0.0844 BFGS: 3373 15:40:59 0.309534 0.0841 BFGS: 3374 15:40:59 0.305243 0.0839 BFGS: 3375 15:40:59 0.300984 0.0836 BFGS: 3376 15:40:59 0.296757 0.0834 BFGS: 3377 15:40:59 0.292563 0.0831 BFGS: 3378 15:40:59 0.288400 0.0828 BFGS: 3379 15:40:59 0.284269 0.0826 BFGS: 3380 15:40:59 0.280170 0.0823 BFGS: 3381 15:40:59 0.276103 0.0820 BFGS: 3382 15:40:59 0.272068 0.0817 BFGS: 3383 15:40:59 0.268065 0.0814 BFGS: 3384 15:40:59 0.264093 0.0811 BFGS: 3385 15:40:59 0.260153 0.0807 BFGS: 3386 15:40:59 0.256245 0.0804 BFGS: 3387 15:40:59 0.252368 0.0801 BFGS: 3388 15:40:59 0.248523 0.0798 BFGS: 3389 15:40:59 0.244709 0.0794 BFGS: 3390 15:40:59 0.240927 0.0791 BFGS: 3391 15:40:59 0.237176 0.0787 BFGS: 3392 15:40:59 0.233457 0.0783 BFGS: 3393 15:40:59 0.229769 0.0780 BFGS: 3394 15:41:00 0.226112 0.0776 BFGS: 3395 15:41:00 0.222487 0.0772 BFGS: 3396 15:41:00 0.218893 0.0768 BFGS: 3397 15:41:00 0.215330 0.0765 BFGS: 3398 15:41:00 0.211798 0.0761 BFGS: 3399 15:41:00 0.208297 0.0757 BFGS: 3400 15:41:00 0.204828 0.0753 BFGS: 3401 15:41:00 0.201389 0.0749 BFGS: 3402 15:41:00 0.197982 0.0744 BFGS: 3403 15:41:00 0.194605 0.0740 BFGS: 3404 15:41:00 0.191259 0.0736 BFGS: 3405 15:41:00 0.187945 0.0732 BFGS: 3406 15:41:00 0.184661 0.0727 BFGS: 3407 15:41:00 0.181408 0.0723 BFGS: 3408 15:41:00 0.178185 0.0718 BFGS: 3409 15:41:00 0.174994 0.0714 BFGS: 3410 15:41:00 0.171833 0.0709 BFGS: 3411 15:41:00 0.168703 0.0705 BFGS: 3412 15:41:00 0.165604 0.0700 BFGS: 3413 15:41:00 0.162535 0.0695 BFGS: 3414 15:41:00 0.159496 0.0691 BFGS: 3415 15:41:00 0.156489 0.0686 BFGS: 3416 15:41:00 0.153511 0.0681 BFGS: 3417 15:41:00 0.150565 0.0676 BFGS: 3418 15:41:00 0.147648 0.0671 BFGS: 3419 15:41:00 0.144763 0.0666 BFGS: 3420 15:41:00 0.141907 0.0661 BFGS: 3421 15:41:00 0.139082 0.0656 BFGS: 3422 15:41:00 0.136287 0.0651 BFGS: 3423 15:41:00 0.133523 0.0646 BFGS: 3424 15:41:00 0.130788 0.0641 BFGS: 3425 15:41:00 0.128084 0.0635 BFGS: 3426 15:41:00 0.125410 0.0626 BFGS: 3427 15:41:00 0.122766 0.0614 BFGS: 3428 15:41:00 0.120151 0.0601 BFGS: 3429 15:41:00 0.117567 0.0589 BFGS: 3430 15:41:00 0.115012 0.0577 BFGS: 3431 15:41:00 0.112488 0.0565 BFGS: 3432 15:41:00 0.109993 0.0553 BFGS: 3433 15:41:00 0.107527 0.0541 BFGS: 3434 15:41:00 0.105092 0.0529 BFGS: 3435 15:41:00 0.102685 0.0518 BFGS: 3436 15:41:00 0.100309 0.0506 BFGS: 3437 15:41:00 0.097962 0.0494 BFGS: 3438 15:41:00 0.095644 0.0483 BFGS: 3439 15:41:00 0.093355 0.0471 BFGS: 3440 15:41:00 0.091096 0.0460 BFGS: 3441 15:41:00 0.088866 0.0449 BFGS: 3442 15:41:00 0.086666 0.0438 BFGS: 3443 15:41:00 0.084494 0.0426 BFGS: 3444 15:41:00 0.082352 0.0415 BFGS: 3445 15:41:00 0.080239 0.0404 BFGS: 3446 15:41:00 0.078154 0.0393 BFGS: 3447 15:41:00 0.076099 0.0385 BFGS: 3448 15:41:00 0.074072 0.0383 BFGS: 3449 15:41:00 0.072075 0.0381 BFGS: 3450 15:41:00 0.070106 0.0379 BFGS: 3451 15:41:00 0.068166 0.0377 BFGS: 3452 15:41:00 0.066255 0.0375 BFGS: 3453 15:41:00 0.064372 0.0372 BFGS: 3454 15:41:00 0.062518 0.0370 BFGS: 3455 15:41:00 0.060693 0.0368 BFGS: 3456 15:41:00 0.058896 0.0365 BFGS: 3457 15:41:00 0.057128 0.0363 BFGS: 3458 15:41:01 0.055388 0.0360 BFGS: 3459 15:41:01 0.053676 0.0357 BFGS: 3460 15:41:01 0.051993 0.0355 BFGS: 3461 15:41:01 0.050339 0.0352 BFGS: 3462 15:41:01 0.048713 0.0349 BFGS: 3463 15:41:01 0.047115 0.0346 BFGS: 3464 15:41:01 0.045545 0.0343 BFGS: 3465 15:41:01 0.044004 0.0340 BFGS: 3466 15:41:01 0.042492 0.0337 BFGS: 3467 15:41:01 0.041007 0.0334 BFGS: 3468 15:41:01 0.039551 0.0331 BFGS: 3469 15:41:01 0.038123 0.0328 BFGS: 3470 15:41:01 0.036722 0.0325 BFGS: 3471 15:41:01 0.035350 0.0321 BFGS: 3472 15:41:01 0.034006 0.0318 BFGS: 3473 15:41:01 0.032690 0.0315 BFGS: 3474 15:41:01 0.031401 0.0311 BFGS: 3475 15:41:01 0.030141 0.0308 BFGS: 3476 15:41:01 0.028911 0.0304 BFGS: 3477 15:41:01 0.027710 0.0300 BFGS: 3478 15:41:01 0.026538 0.0297 BFGS: 3479 15:41:01 0.025395 0.0293 BFGS: 3480 15:41:01 0.024281 0.0289 BFGS: 3481 15:41:01 0.023196 0.0285 BFGS: 3482 15:41:01 0.022140 0.0281 BFGS: 3483 15:41:01 0.021112 0.0277 BFGS: 3484 15:41:01 0.020111 0.0273 BFGS: 3485 15:41:01 0.019139 0.0269 BFGS: 3486 15:41:01 0.018195 0.0264 BFGS: 3487 15:41:01 0.017278 0.0260 BFGS: 3488 15:41:01 0.016389 0.0256 BFGS: 3489 15:41:01 0.015526 0.0251 BFGS: 3490 15:41:01 0.014689 0.0247 BFGS: 3491 15:41:01 0.013878 0.0242 BFGS: 3492 15:41:01 0.013093 0.0238 BFGS: 3493 15:41:01 0.012334 0.0233 BFGS: 3494 15:41:01 0.011601 0.0228 BFGS: 3495 15:41:01 0.010892 0.0224 BFGS: 3496 15:41:01 0.010209 0.0219 BFGS: 3497 15:41:01 0.009552 0.0215 BFGS: 3498 15:41:01 0.008919 0.0210 BFGS: 3499 15:41:01 0.008311 0.0205 BFGS: 3500 15:41:01 0.007727 0.0200 BFGS: 3501 15:41:01 0.007168 0.0196 BFGS: 3502 15:41:01 0.006633 0.0191 BFGS: 3503 15:41:01 0.006123 0.0186 BFGS: 3504 15:41:01 0.005637 0.0181 BFGS: 3505 15:41:01 0.005174 0.0176 BFGS: 3506 15:41:01 0.004736 0.0171 BFGS: 3507 15:41:01 0.004321 0.0166 BFGS: 3508 15:41:01 0.003929 0.0161 BFGS: 3509 15:41:01 0.003561 0.0155 BFGS: 3510 15:41:01 0.003215 0.0155 BFGS: 3511 15:41:01 0.002889 0.0154 BFGS: 3512 15:41:01 0.002584 0.0153 BFGS: 3513 15:41:01 0.002298 0.0152 BFGS: 3514 15:41:01 0.002032 0.0151 BFGS: 3515 15:41:01 0.001786 0.0150 BFGS: 3516 15:41:01 0.001558 0.0148 BFGS: 3517 15:41:01 0.001349 0.0146 BFGS: 3518 15:41:01 0.001160 0.0143 BFGS: 3519 15:41:01 0.000989 0.0140 BFGS: 3520 15:41:01 0.000836 0.0137 BFGS: 3521 15:41:01 0.000702 0.0134 BFGS: 3522 15:41:02 0.000587 0.0129 BFGS: 3523 15:41:02 0.000487 0.0125 BFGS: 3524 15:41:02 0.000399 0.0120 BFGS: 3525 15:41:02 0.000321 0.0114 BFGS: 3526 15:41:02 0.000255 0.0108 BFGS: 3527 15:41:02 0.000199 0.0101 BFGS: 3528 15:41:02 0.000153 0.0094 BFGS: 3529 15:41:02 0.000116 0.0086 BFGS: 3530 15:41:02 0.000086 0.0078 BFGS: 3531 15:41:02 0.000064 0.0069 BFGS: 3532 15:41:02 0.000046 0.0060 BFGS: 3533 15:41:02 0.000031 0.0051 BFGS: 3534 15:41:02 0.000020 0.0041 BFGS: 3535 15:41:02 0.000011 0.0031 BFGS: 3536 15:41:02 0.000005 0.0021 BFGS: 3537 15:41:02 0.000001 0.0011 BFGS: 3538 15:41:02 0.000000 0.0001 BFGS: 3539 15:41:02 -0.000000 0.0000 BFGS: 3540 15:41:02 -0.000000 0.0000 Minimization converged after 3540 steps. Maximum force component: 4.742795169698189e-13 eV/Angstrom Maximum stress component: 1.1449265849608468e-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 = [[0.00000000e+00 0.00000000e+00 4.18304927e-01] [1.90803892e-33 0.00000000e+00 9.18304927e-01] [3.48896948e-34 0.00000000e+00 5.81695073e-01] [8.54397049e-34 4.65171911e-33 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 7.81081636e-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] [7.81081636e-03 7.18797886e-01 6.09440361e-01] [2.81202114e-01 2.89012930e-01 6.09440361e-01] [7.81081636e-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 7.81081636e-03 3.90559639e-01] [2.89012930e-01 2.81202114e-01 3.90559639e-01] [7.10987070e-01 9.92189184e-01 8.90559639e-01] [7.81081636e-03 7.18797886e-01 8.90559639e-01] [2.81202114e-01 2.89012930e-01 8.90559639e-01] [2.89012930e-01 7.81081636e-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 7.81081636e-03 1.09440361e-01] [2.89012930e-01 2.81202114e-01 1.09440361e-01] [7.81081636e-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([[36.77071179961795, -2.803643421815878e-16, 8.586576930307697e-36], [-18.385355899808975, 31.84437053370536, -5.807020367178391e-36], [3.951670667741913e-36, 6.164884727581488e-35, 61.27490099731971]]) 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] [ 8.06263998e-29 -4.74279517e-13 2.25450220e-50] [ 4.10738110e-13 2.37139758e-13 8.46417155e-50] [-4.10738110e-13 2.37139758e-13 -1.07186738e-49] [-2.26124458e-29 4.74279517e-13 -2.25450220e-50] [-4.10738110e-13 -2.37139758e-13 -8.46417155e-50] [ 4.10738110e-13 -2.37139758e-13 1.07186738e-49] [ 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 = [-1.14492658e-16 -1.14492658e-16 -2.33413143e-88 1.15191380e-52 7.38372927e-54 8.18045066e-35] energy per atom = -1.0449157878825003e-16 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0