element(s): ['Si'] AFLOW prototype label: A_oC92_63_ce2f2g3h Parameter names: ['a', 'b/a', 'c/a', 'y1', 'x2', 'y3', 'z3', 'y4', 'z4', 'x5', 'y5', 'x6', 'y6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.8175', '0.76472127', '0.59618255', '0.14451121', '0.3989819', '0.75155355', '0.56020189', '0.57865634', '0.63103039', '0.61588756', '0.5449893', '0.92923425', '0.87216844', '0.11899988', '0.78738309', '0.44063684', '0.17613844', '0.62454305', '0.37329271', '0.3077052', '0.58172809', '0.44099105'] 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', 'Si', 'Si'] representative atom coordinates = [[0. 0.14451121 0.25 ] [0.3989819 0. 0. ] [0. 0.75155355 0.56020189] [0. 0.57865634 0.63103039] [0.11588756 0.0449893 0.25 ] [0.42923425 0.37216844 0.25 ] [0.61899988 0.28738309 0.44063684] [0.67613844 0.12454305 0.37329271] [0.8077052 0.08172809 0.44099105]] spacegroup = 63 cell = [[16.8175, 0, 0], [0, 12.8607, 0], [0, 0, 10.0263]] ========================================= Step Time Energy fmax BFGS: 0 16:57:27 6402.302657 76.809247 BFGS: 1 16:57:28 6390.343019 76.634442 BFGS: 2 16:57:28 6378.510384 76.461215 BFGS: 3 16:57:28 6366.768882 76.288915 BFGS: 4 16:57:29 6355.097242 76.117294 BFGS: 5 16:57:29 6343.481698 75.946167 BFGS: 6 16:57:29 6331.912559 75.775466 BFGS: 7 16:57:30 6320.384671 75.605378 BFGS: 8 16:57:30 6308.895828 75.435960 BFGS: 9 16:57:30 6297.445469 75.266994 BFGS: 10 16:57:31 6286.031299 75.098433 BFGS: 11 16:57:31 6274.652040 74.930259 BFGS: 12 16:57:32 6263.306219 74.762576 BFGS: 13 16:57:32 6251.992556 74.595333 BFGS: 14 16:57:32 6240.710018 74.428616 BFGS: 15 16:57:33 6229.457671 74.263042 BFGS: 16 16:57:34 6218.234047 74.098375 BFGS: 17 16:57:35 6207.038441 73.935112 BFGS: 18 16:57:35 6195.870448 73.772866 BFGS: 19 16:57:36 6184.728882 73.611141 BFGS: 20 16:57:36 6173.613047 73.449743 BFGS: 21 16:57:36 6162.522836 73.288734 BFGS: 22 16:57:37 6151.458627 73.128041 BFGS: 23 16:57:37 6140.420136 72.967660 BFGS: 24 16:57:37 6129.407113 72.807588 BFGS: 25 16:57:38 6118.419307 72.647924 BFGS: 26 16:57:38 6107.457408 72.488592 BFGS: 27 16:57:38 6096.521357 72.329660 BFGS: 28 16:57:39 6085.611685 72.171022 BFGS: 29 16:57:39 6074.728176 72.012682 BFGS: 30 16:57:40 6063.870625 71.854643 BFGS: 31 16:57:40 6053.038830 71.696989 BFGS: 32 16:57:41 6042.232578 71.539879 BFGS: 33 16:57:41 6031.453052 71.383129 BFGS: 34 16:57:42 6020.700968 71.226737 BFGS: 35 16:57:42 6009.976248 71.070882 BFGS: 36 16:57:42 5999.278421 70.915377 BFGS: 37 16:57:43 5988.607237 70.760228 BFGS: 38 16:57:44 5977.962416 70.606085 BFGS: 39 16:57:44 5967.343116 70.452262 BFGS: 40 16:57:45 5956.749035 70.298753 BFGS: 41 16:57:45 5946.180273 70.145561 BFGS: 42 16:57:46 5935.636965 69.992688 BFGS: 43 16:57:46 5925.118809 69.840131 BFGS: 44 16:57:47 5914.625499 69.688058 BFGS: 45 16:57:48 5904.156562 69.536551 BFGS: 46 16:57:48 5893.711412 69.385446 BFGS: 47 16:57:49 5883.289627 69.234604 BFGS: 48 16:57:49 5872.890927 69.084018 BFGS: 49 16:57:50 5862.515024 68.933680 BFGS: 50 16:57:50 5852.161620 68.783583 BFGS: 51 16:57:51 5841.830412 68.633720 BFGS: 52 16:57:52 5831.521084 68.484083 BFGS: 53 16:57:52 5821.233313 68.334720 BFGS: 54 16:57:52 5810.966682 68.185587 BFGS: 55 16:57:53 5800.720807 68.036641 BFGS: 56 16:57:53 5790.495346 67.887875 BFGS: 57 16:57:54 5780.289947 67.739282 BFGS: 58 16:57:54 5770.104243 67.590901 BFGS: 59 16:57:54 5759.937841 67.442666 BFGS: 60 16:57:55 5749.790311 67.295173 BFGS: 61 16:57:55 5739.660779 67.148353 BFGS: 62 16:57:56 5729.548559 67.001932 BFGS: 63 16:57:56 5719.452788 66.856482 BFGS: 64 16:57:57 5709.371585 66.711374 BFGS: 65 16:57:57 5699.304350 66.566338 BFGS: 66 16:57:58 5689.250548 66.421363 BFGS: 67 16:57:58 5679.209643 66.276438 BFGS: 68 16:57:59 5669.181098 66.131620 BFGS: 69 16:57:59 5659.164280 65.986868 BFGS: 70 16:58:00 5649.158587 65.842131 BFGS: 71 16:58:00 5639.163465 65.697404 BFGS: 72 16:58:00 5629.178383 65.552771 BFGS: 73 16:58:01 5619.202785 65.408543 BFGS: 74 16:58:01 5609.236288 65.264431 BFGS: 75 16:58:02 5599.278081 65.120659 BFGS: 76 16:58:02 5589.326401 64.976916 BFGS: 77 16:58:03 5579.380499 64.833887 BFGS: 78 16:58:03 5569.439024 64.691543 BFGS: 79 16:58:03 5559.501205 64.550946 BFGS: 80 16:58:04 5549.565230 64.410451 BFGS: 81 16:58:04 5539.631077 64.269840 BFGS: 82 16:58:05 5529.698337 64.129086 BFGS: 83 16:58:05 5519.766636 63.988558 BFGS: 84 16:58:06 5509.835641 63.848266 BFGS: 85 16:58:06 5499.905293 63.707789 BFGS: 86 16:58:06 5489.975316 63.567322 BFGS: 87 16:58:06 5480.047220 63.426628 BFGS: 88 16:58:07 5470.120924 63.285718 BFGS: 89 16:58:07 5460.196541 63.145133 BFGS: 90 16:58:07 5450.273716 63.004416 BFGS: 91 16:58:07 5440.351033 62.863721 BFGS: 92 16:58:07 5430.428852 62.722983 BFGS: 93 16:58:08 5420.508935 62.582526 BFGS: 94 16:58:08 5410.591023 62.448802 BFGS: 95 16:58:08 5400.674650 62.317192 BFGS: 96 16:58:09 5390.759634 62.185567 BFGS: 97 16:58:09 5380.844671 62.054010 BFGS: 98 16:58:09 5370.929912 61.922876 BFGS: 99 16:58:10 5361.014329 61.792267 BFGS: 100 16:58:10 5351.098449 61.661601 BFGS: 101 16:58:10 5341.184074 61.531585 BFGS: 102 16:58:11 5331.273006 61.401917 BFGS: 103 16:58:11 5321.365296 61.272234 BFGS: 104 16:58:11 5311.461701 61.142525 BFGS: 105 16:58:12 5301.563010 61.012778 BFGS: 106 16:58:12 5291.670358 60.882992 BFGS: 107 16:58:12 5281.784713 60.753753 BFGS: 108 16:58:13 5271.904244 60.624732 BFGS: 109 16:58:13 5262.029179 60.495653 BFGS: 110 16:58:14 5252.160732 60.366510 BFGS: 111 16:58:14 5242.300107 60.237318 BFGS: 112 16:58:15 5232.448509 60.108133 BFGS: 113 16:58:15 5222.607475 59.979351 BFGS: 114 16:58:16 5212.777743 59.851100 BFGS: 115 16:58:17 5202.960683 59.722906 BFGS: 116 16:58:18 5193.157342 59.594820 BFGS: 117 16:58:18 5183.368578 59.468279 BFGS: 118 16:58:19 5173.593667 59.341852 BFGS: 119 16:58:19 5163.833557 59.215656 BFGS: 120 16:58:19 5154.089850 59.090792 BFGS: 121 16:58:20 5144.361979 58.968760 BFGS: 122 16:58:20 5134.646952 58.848439 BFGS: 123 16:58:21 5124.944090 58.728950 BFGS: 124 16:58:21 5115.253580 58.610011 BFGS: 125 16:58:22 5105.576092 58.491809 BFGS: 126 16:58:23 5095.910775 58.375115 BFGS: 127 16:58:23 5086.256811 58.258783 BFGS: 128 16:58:23 5076.614697 58.143106 BFGS: 129 16:58:24 5066.982464 58.027975 BFGS: 130 16:58:24 5057.357507 57.913389 BFGS: 131 16:58:25 5047.735610 57.798719 BFGS: 132 16:58:25 5038.120125 57.683990 BFGS: 133 16:58:26 5028.517261 57.569354 BFGS: 134 16:58:26 5018.925768 57.454692 BFGS: 135 16:58:27 5009.346486 57.340321 BFGS: 136 16:58:28 4999.780524 57.226429 BFGS: 137 16:58:28 4990.228603 57.113398 BFGS: 138 16:58:29 4980.691823 57.001218 BFGS: 139 16:58:29 4971.171029 56.889092 BFGS: 140 16:58:30 4961.666151 56.777048 BFGS: 141 16:58:30 4952.174380 56.665573 BFGS: 142 16:58:31 4942.694539 56.554122 BFGS: 143 16:58:31 4933.227210 56.442889 BFGS: 144 16:58:32 4923.772976 56.331647 BFGS: 145 16:58:32 4914.332433 56.220330 BFGS: 146 16:58:33 4904.906174 56.108933 BFGS: 147 16:58:34 4895.494794 55.997455 BFGS: 148 16:58:35 4886.098890 55.885953 BFGS: 149 16:58:36 4876.718438 55.775305 BFGS: 150 16:58:36 4867.352437 55.664702 BFGS: 151 16:58:37 4858.001494 55.554074 BFGS: 152 16:58:37 4848.665751 55.443606 BFGS: 153 16:58:37 4839.345541 55.333692 BFGS: 154 16:58:37 4830.042052 55.224341 BFGS: 155 16:58:37 4820.756624 55.114919 BFGS: 156 16:58:37 4811.489322 55.005732 BFGS: 157 16:58:38 4802.240921 54.896983 BFGS: 158 16:58:38 4793.011852 54.789069 BFGS: 159 16:58:38 4783.802158 54.682303 BFGS: 160 16:58:38 4774.612173 54.575444 BFGS: 161 16:58:39 4765.441519 54.468859 BFGS: 162 16:58:39 4756.291099 54.362594 BFGS: 163 16:58:40 4747.156372 54.256292 BFGS: 164 16:58:40 4738.036037 54.149886 BFGS: 165 16:58:40 4728.930644 54.044594 BFGS: 166 16:58:40 4719.840609 53.939558 BFGS: 167 16:58:41 4710.767499 53.835288 BFGS: 168 16:58:41 4701.714446 53.731717 BFGS: 169 16:58:41 4692.683160 53.628667 BFGS: 170 16:58:41 4683.673912 53.525676 BFGS: 171 16:58:41 4674.688094 53.422640 BFGS: 172 16:58:41 4665.726149 53.319517 BFGS: 173 16:58:41 4656.789162 53.216302 BFGS: 174 16:58:41 4647.878244 53.113201 BFGS: 175 16:58:41 4638.990987 53.010051 BFGS: 176 16:58:42 4630.128447 52.907353 BFGS: 177 16:58:42 4621.292626 52.805252 BFGS: 178 16:58:42 4612.485325 52.703076 BFGS: 179 16:58:42 4603.708214 52.601191 BFGS: 180 16:58:42 4594.963215 52.500075 BFGS: 181 16:58:42 4586.250082 52.399120 BFGS: 182 16:58:43 4577.569241 52.298836 BFGS: 183 16:58:43 4568.921821 52.199859 BFGS: 184 16:58:44 4560.310172 52.100782 BFGS: 185 16:58:44 4551.735382 52.001700 BFGS: 186 16:58:44 4543.198269 51.902535 BFGS: 187 16:58:44 4534.700322 51.803295 BFGS: 188 16:58:45 4526.243038 51.703986 BFGS: 189 16:58:45 4517.827858 51.604634 BFGS: 190 16:58:45 4509.454868 51.505340 BFGS: 191 16:58:46 4501.123689 51.406322 BFGS: 192 16:58:46 4492.834514 51.307940 BFGS: 193 16:58:46 4484.589100 51.209872 BFGS: 194 16:58:47 4476.388907 51.112298 BFGS: 195 16:58:47 4468.233875 51.015010 BFGS: 196 16:58:47 4460.124305 50.918350 BFGS: 197 16:58:47 4452.061547 50.822489 BFGS: 198 16:58:48 4444.046927 50.727683 BFGS: 199 16:58:48 4436.078879 50.633059 BFGS: 200 16:58:48 4428.157422 50.539816 BFGS: 201 16:58:48 4420.283236 50.447406 BFGS: 202 16:58:48 4412.457402 50.354902 BFGS: 203 16:58:49 4404.680397 50.262293 BFGS: 204 16:58:49 4396.952613 50.169566 BFGS: 205 16:58:49 4389.274381 50.076713 BFGS: 206 16:58:50 4381.645972 49.983914 BFGS: 207 16:58:50 4374.067849 49.891374 BFGS: 208 16:58:50 4366.540125 49.798660 BFGS: 209 16:58:50 4359.062789 49.705769 BFGS: 210 16:58:50 4351.635737 49.612965 BFGS: 211 16:58:51 4344.257693 49.521234 BFGS: 212 16:58:51 4336.927455 49.430876 BFGS: 213 16:58:51 4329.644041 49.341938 BFGS: 214 16:58:52 4322.401853 49.253242 BFGS: 215 16:58:52 4315.200274 49.164450 BFGS: 216 16:58:52 4308.039007 49.075635 BFGS: 217 16:58:52 4300.917739 48.986806 BFGS: 218 16:58:53 4293.836361 48.898519 BFGS: 219 16:58:53 4286.794609 48.811514 BFGS: 220 16:58:53 4279.793977 48.724385 BFGS: 221 16:58:53 4272.834231 48.637048 BFGS: 222 16:58:54 4265.914306 48.549459 BFGS: 223 16:58:54 4259.033781 48.461621 BFGS: 224 16:58:54 4252.192226 48.373536 BFGS: 225 16:58:54 4245.389203 48.285258 BFGS: 226 16:58:54 4238.624307 48.197455 BFGS: 227 16:58:55 4231.898018 48.109422 BFGS: 228 16:58:55 4225.209826 48.021167 BFGS: 229 16:58:55 4218.559237 47.932701 BFGS: 230 16:58:55 4211.945778 47.844036 BFGS: 231 16:58:56 4205.368925 47.755277 BFGS: 232 16:58:56 4198.827774 47.666559 BFGS: 233 16:58:56 4192.322168 47.577994 BFGS: 234 16:58:56 4185.851974 47.490002 BFGS: 235 16:58:56 4179.416184 47.401910 BFGS: 236 16:58:56 4173.014446 47.313674 BFGS: 237 16:58:57 4166.646475 47.225426 BFGS: 238 16:58:57 4160.311789 47.137204 BFGS: 239 16:58:57 4154.009818 47.049049 BFGS: 240 16:58:57 4147.740224 46.961014 BFGS: 241 16:58:57 4141.501068 46.873178 BFGS: 242 16:58:57 4135.291304 46.785264 BFGS: 243 16:58:57 4129.110160 46.697273 BFGS: 244 16:58:57 4122.957182 46.609540 BFGS: 245 16:58:57 4116.832240 46.522166 BFGS: 246 16:58:57 4110.734607 46.435187 BFGS: 247 16:58:57 4104.660574 46.348652 BFGS: 248 16:58:57 4098.609060 46.262033 BFGS: 249 16:58:58 4092.579883 46.176272 BFGS: 250 16:58:58 4086.573584 46.091250 BFGS: 251 16:58:58 4080.590281 46.006555 BFGS: 252 16:58:58 4074.630106 45.921995 BFGS: 253 16:58:58 4068.693130 45.837387 BFGS: 254 16:58:58 4062.779232 45.752745 BFGS: 255 16:58:58 4056.888318 45.668081 BFGS: 256 16:58:58 4051.020327 45.583511 BFGS: 257 16:58:58 4045.175098 45.498944 BFGS: 258 16:58:58 4039.352555 45.414405 BFGS: 259 16:58:59 4033.552172 45.329925 BFGS: 260 16:58:59 4027.772809 45.245454 BFGS: 261 16:58:59 4022.014447 45.161004 BFGS: 262 16:58:59 4016.277041 45.076587 BFGS: 263 16:59:00 4010.560395 44.992360 BFGS: 264 16:59:01 4004.863552 44.908177 BFGS: 265 16:59:01 3999.186117 44.824086 BFGS: 266 16:59:01 3993.525634 44.740581 BFGS: 267 16:59:01 3987.881502 44.658178 BFGS: 268 16:59:02 3982.254286 44.576630 BFGS: 269 16:59:02 3976.644343 44.495192 BFGS: 270 16:59:02 3971.051241 44.413836 BFGS: 271 16:59:02 3965.474698 44.332529 BFGS: 272 16:59:03 3959.914322 44.251452 BFGS: 273 16:59:03 3954.369011 44.171822 BFGS: 274 16:59:03 3948.839030 44.093170 BFGS: 275 16:59:03 3943.324489 44.014764 BFGS: 276 16:59:03 3937.825251 43.936396 BFGS: 277 16:59:03 3932.341072 43.858063 BFGS: 278 16:59:03 3926.871693 43.779765 BFGS: 279 16:59:04 3921.416844 43.701593 BFGS: 280 16:59:04 3915.976264 43.624014 BFGS: 281 16:59:04 3910.550108 43.546471 BFGS: 282 16:59:04 3905.138033 43.468988 BFGS: 283 16:59:04 3899.739650 43.391524 BFGS: 284 16:59:05 3894.354609 43.314076 BFGS: 285 16:59:05 3888.982577 43.236722 BFGS: 286 16:59:05 3883.623100 43.159637 BFGS: 287 16:59:05 3878.275223 43.082753 BFGS: 288 16:59:05 3872.938741 43.006014 BFGS: 289 16:59:05 3867.613225 42.929534 BFGS: 290 16:59:06 3862.298098 42.853287 BFGS: 291 16:59:06 3856.993204 42.777481 BFGS: 292 16:59:06 3851.698871 42.701710 BFGS: 293 16:59:06 3846.414804 42.626088 BFGS: 294 16:59:06 3841.140770 42.550853 BFGS: 295 16:59:07 3835.876810 42.475610 BFGS: 296 16:59:07 3830.622627 42.400352 BFGS: 297 16:59:07 3825.377944 42.325073 BFGS: 298 16:59:07 3820.142451 42.249854 BFGS: 299 16:59:07 3814.915507 42.174876 BFGS: 300 16:59:07 3809.695448 42.100619 BFGS: 301 16:59:07 3804.480465 42.026282 BFGS: 302 16:59:08 3799.270551 41.951871 BFGS: 303 16:59:08 3794.065475 41.877390 BFGS: 304 16:59:08 3788.864773 41.802863 BFGS: 305 16:59:08 3783.668064 41.728236 BFGS: 306 16:59:08 3778.475300 41.653504 BFGS: 307 16:59:08 3773.286431 41.578662 BFGS: 308 16:59:08 3768.101324 41.504496 BFGS: 309 16:59:08 3762.920157 41.430463 BFGS: 310 16:59:09 3757.742946 41.356298 BFGS: 311 16:59:09 3752.569567 41.282044 BFGS: 312 16:59:09 3747.399504 41.207899 BFGS: 313 16:59:09 3742.232478 41.133871 BFGS: 314 16:59:09 3737.068649 41.059687 BFGS: 315 16:59:09 3731.908018 40.985343 BFGS: 316 16:59:09 3726.750591 40.910837 BFGS: 317 16:59:09 3721.596373 40.836166 BFGS: 318 16:59:10 3716.445395 40.761374 BFGS: 319 16:59:10 3711.297623 40.686535 BFGS: 320 16:59:10 3706.152636 40.616652 BFGS: 321 16:59:10 3701.010283 40.548659 BFGS: 322 16:59:10 3695.870098 40.480653 BFGS: 323 16:59:10 3690.731690 40.412956 BFGS: 324 16:59:10 3685.594356 40.345674 BFGS: 325 16:59:10 3680.457387 40.278173 BFGS: 326 16:59:11 3675.320570 40.211284 BFGS: 327 16:59:11 3670.182019 40.144109 BFGS: 328 16:59:11 3665.040990 40.076682 BFGS: 329 16:59:11 3659.897816 40.009499 BFGS: 330 16:59:11 3654.752936 39.943155 BFGS: 331 16:59:11 3649.606052 39.877462 BFGS: 332 16:59:11 3644.456618 39.811846 BFGS: 333 16:59:12 3639.305090 39.745911 BFGS: 334 16:59:12 3634.151320 39.679680 BFGS: 335 16:59:12 3628.995155 39.613569 BFGS: 336 16:59:12 3623.836814 39.547196 BFGS: 337 16:59:12 3618.676421 39.481525 BFGS: 338 16:59:12 3613.512678 39.416098 BFGS: 339 16:59:12 3608.345246 39.350290 BFGS: 340 16:59:13 3603.174491 39.284126 BFGS: 341 16:59:13 3598.000733 39.217754 BFGS: 342 16:59:13 3592.824186 39.151043 BFGS: 343 16:59:13 3587.645410 39.083942 BFGS: 344 16:59:13 3582.464758 39.016485 BFGS: 345 16:59:13 3577.282869 38.948680 BFGS: 346 16:59:13 3572.100578 38.880489 BFGS: 347 16:59:14 3566.918312 38.811914 BFGS: 348 16:59:14 3561.736547 38.743210 BFGS: 349 16:59:14 3556.554856 38.674370 BFGS: 350 16:59:14 3551.373613 38.605182 BFGS: 351 16:59:14 3546.193153 38.536906 BFGS: 352 16:59:14 3541.012511 38.470493 BFGS: 353 16:59:14 3535.831489 38.403967 BFGS: 354 16:59:15 3530.650803 38.337042 BFGS: 355 16:59:15 3525.470859 38.269730 BFGS: 356 16:59:15 3520.292271 38.202124 BFGS: 357 16:59:15 3515.115867 38.134632 BFGS: 358 16:59:15 3509.942481 38.067122 BFGS: 359 16:59:15 3504.773454 37.999250 BFGS: 360 16:59:15 3499.609402 37.931006 BFGS: 361 16:59:16 3494.450745 37.862394 BFGS: 362 16:59:16 3489.297906 37.793419 BFGS: 363 16:59:16 3484.151311 37.724086 BFGS: 364 16:59:16 3479.011383 37.654412 BFGS: 365 16:59:16 3473.878615 37.584476 BFGS: 366 16:59:16 3468.753377 37.514208 BFGS: 367 16:59:16 3463.635990 37.444454 BFGS: 368 16:59:17 3458.526242 37.375283 BFGS: 369 16:59:17 3453.424126 37.306744 BFGS: 370 16:59:17 3448.329492 37.238125 BFGS: 371 16:59:17 3443.242770 37.169615 BFGS: 372 16:59:17 3438.163938 37.101967 BFGS: 373 16:59:17 3433.092349 37.034563 BFGS: 374 16:59:17 3428.027869 36.966928 BFGS: 375 16:59:17 3422.970821 36.899101 BFGS: 376 16:59:18 3417.920888 36.831696 BFGS: 377 16:59:18 3412.876731 36.764026 BFGS: 378 16:59:18 3407.838397 36.696071 BFGS: 379 16:59:18 3402.806195 36.627847 BFGS: 380 16:59:18 3397.780430 36.559375 BFGS: 381 16:59:18 3392.761377 36.490666 BFGS: 382 16:59:18 3387.749199 36.421766 BFGS: 383 16:59:18 3382.744094 36.352706 BFGS: 384 16:59:19 3377.746263 36.284024 BFGS: 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1312.431864 11.982942 BFGS: 1089 17:00:37 1311.018339 11.964598 BFGS: 1090 17:00:37 1309.610526 11.946149 BFGS: 1091 17:00:37 1308.208721 11.928171 BFGS: 1092 17:00:37 1306.813114 11.910072 BFGS: 1093 17:00:37 1305.423836 11.891855 BFGS: 1094 17:00:38 1304.041009 11.873522 BFGS: 1095 17:00:38 1302.664750 11.855076 BFGS: 1096 17:00:38 1301.295163 11.836518 BFGS: 1097 17:00:38 1299.931930 11.818364 BFGS: 1098 17:00:38 1298.574057 11.800282 BFGS: 1099 17:00:38 1297.221594 11.782086 BFGS: 1100 17:00:38 1295.874646 11.763776 BFGS: 1101 17:00:38 1294.533311 11.745356 BFGS: 1102 17:00:39 1293.197682 11.726871 BFGS: 1103 17:00:39 1291.867997 11.708698 BFGS: 1104 17:00:39 1290.543967 11.691156 BFGS: 1105 17:00:39 1289.225200 11.673708 BFGS: 1106 17:00:39 1287.911674 11.656195 BFGS: 1107 17:00:39 1286.603426 11.638610 BFGS: 1108 17:00:39 1285.300401 11.620935 BFGS: 1109 17:00:39 1284.002608 11.603164 BFGS: 1110 17:00:40 1282.710113 11.585297 BFGS: 1111 17:00:40 1281.422786 11.568587 BFGS: 1112 17:00:40 1280.140010 11.553569 BFGS: 1113 17:00:40 1278.862479 11.538934 BFGS: 1114 17:00:40 1277.589949 11.524197 BFGS: 1115 17:00:40 1276.322383 11.509352 BFGS: 1116 17:00:40 1275.059587 11.494477 BFGS: 1117 17:00:40 1273.801389 11.479718 BFGS: 1118 17:00:41 1272.547818 11.464840 BFGS: 1119 17:00:41 1271.298853 11.449846 BFGS: 1120 17:00:41 1270.054473 11.434749 BFGS: 1121 17:00:41 1268.814606 11.419709 BFGS: 1122 17:00:41 1267.578806 11.405655 BFGS: 1123 17:00:41 1266.347138 11.391995 BFGS: 1124 17:00:41 1265.120032 11.378631 BFGS: 1125 17:00:42 1263.897472 11.365152 BFGS: 1126 17:00:42 1262.679406 11.351559 BFGS: 1127 17:00:42 1261.465782 11.337851 BFGS: 1128 17:00:42 1260.256549 11.324028 BFGS: 1129 17:00:42 1259.051652 11.310091 BFGS: 1130 17:00:42 1257.850607 11.296187 BFGS: 1131 17:00:42 1256.652824 11.282204 BFGS: 1132 17:00:42 1255.458270 11.268164 BFGS: 1133 17:00:43 1254.266860 11.254275 BFGS: 1134 17:00:43 1253.078590 11.240304 BFGS: 1135 17:00:43 1251.893403 11.226302 BFGS: 1136 17:00:43 1250.711228 11.212188 BFGS: 1137 17:00:43 1249.532055 11.197961 BFGS: 1138 17:00:43 1248.355870 11.183623 BFGS: 1139 17:00:43 1247.182659 11.169172 BFGS: 1140 17:00:43 1246.012408 11.154609 BFGS: 1141 17:00:43 1244.845101 11.139934 BFGS: 1142 17:00:43 1243.680722 11.125147 BFGS: 1143 17:00:44 1242.519256 11.110274 BFGS: 1144 17:00:44 1241.360816 11.097708 BFGS: 1145 17:00:44 1240.205404 11.086820 BFGS: 1146 17:00:44 1239.053015 11.075731 BFGS: 1147 17:00:44 1237.903645 11.064442 BFGS: 1148 17:00:44 1236.757289 11.053087 BFGS: 1149 17:00:44 1235.614019 11.041905 BFGS: 1150 17:00:44 1234.473756 11.030518 BFGS: 1151 17:00:44 1233.337899 11.018943 BFGS: 1152 17:00:44 1232.207384 11.007195 BFGS: 1153 17:00:44 1231.082148 10.995276 BFGS: 1154 17:00:44 1229.962126 10.983191 BFGS: 1155 17:00:44 1228.847248 10.970944 BFGS: 1156 17:00:45 1227.737444 10.958753 BFGS: 1157 17:00:45 1226.632643 10.946643 BFGS: 1158 17:00:45 1225.532681 10.934608 BFGS: 1159 17:00:45 1224.437298 10.922490 BFGS: 1160 17:00:45 1223.346213 10.910387 BFGS: 1161 17:00:45 1222.259422 10.898550 BFGS: 1162 17:00:45 1221.176813 10.886588 BFGS: 1163 17:00:45 1220.098257 10.874504 BFGS: 1164 17:00:45 1219.023620 10.862302 BFGS: 1165 17:00:45 1217.952768 10.849986 BFGS: 1166 17:00:45 1216.885600 10.837559 BFGS: 1167 17:00:46 1215.822002 10.825024 BFGS: 1168 17:00:46 1214.761823 10.812382 BFGS: 1169 17:00:46 1213.704909 10.799638 BFGS: 1170 17:00:46 1212.651078 10.786796 BFGS: 1171 17:00:46 1211.600262 10.773857 BFGS: 1172 17:00:46 1210.552328 10.760824 BFGS: 1173 17:00:46 1209.507095 10.747700 BFGS: 1174 17:00:46 1208.464341 10.734720 BFGS: 1175 17:00:46 1207.423773 10.721823 BFGS: 1176 17:00:47 1206.385216 10.708849 BFGS: 1177 17:00:47 1205.348473 10.695797 BFGS: 1178 17:00:47 1204.313347 10.682668 BFGS: 1179 17:00:47 1203.279565 10.669760 BFGS: 1180 17:00:47 1202.246786 10.657014 BFGS: 1181 17:00:47 1201.214717 10.644212 BFGS: 1182 17:00:47 1200.183176 10.631647 BFGS: 1183 17:00:47 1199.152020 10.619357 BFGS: 1184 17:00:48 1198.121040 10.606988 BFGS: 1185 17:00:48 1197.090002 10.594577 BFGS: 1186 17:00:48 1196.058778 10.582099 BFGS: 1187 17:00:48 1195.027271 10.569555 BFGS: 1188 17:00:48 1193.995408 10.556959 BFGS: 1189 17:00:48 1192.963083 10.544269 BFGS: 1190 17:00:48 1191.930139 10.531687 BFGS: 1191 17:00:48 1190.896417 10.519029 BFGS: 1192 17:00:49 1189.861805 10.506563 BFGS: 1193 17:00:49 1188.826139 10.494172 BFGS: 1194 17:00:49 1187.789250 10.481674 BFGS: 1195 17:00:49 1186.751054 10.469067 BFGS: 1196 17:00:49 1185.711483 10.456348 BFGS: 1197 17:00:49 1184.670482 10.443514 BFGS: 1198 17:00:49 1183.628012 10.430563 BFGS: 1199 17:00:49 1182.584051 10.417492 BFGS: 1200 17:00:49 1181.538593 10.404296 BFGS: 1201 17:00:50 1180.491649 10.390977 BFGS: 1202 17:00:50 1179.443122 10.377560 BFGS: 1203 17:00:50 1178.393150 10.364233 BFGS: 1204 17:00:50 1177.341898 10.351490 BFGS: 1205 17:00:50 1176.289489 10.338787 BFGS: 1206 17:00:50 1175.235990 10.325936 BFGS: 1207 17:00:50 1174.181513 10.313018 BFGS: 1208 17:00:50 1173.126121 10.299989 BFGS: 1209 17:00:50 1172.069846 10.286801 BFGS: 1210 17:00:51 1171.012759 10.273624 BFGS: 1211 17:00:51 1169.954727 10.261426 BFGS: 1212 17:00:51 1168.895262 10.250414 BFGS: 1213 17:00:51 1167.832610 10.240005 BFGS: 1214 17:00:51 1166.765922 10.229709 BFGS: 1215 17:00:51 1165.695795 10.220626 BFGS: 1216 17:00:51 1164.623473 10.211789 BFGS: 1217 17:00:51 1163.548940 10.202893 BFGS: 1218 17:00:52 1162.471745 10.193751 BFGS: 1219 17:00:52 1161.391179 10.184353 BFGS: 1220 17:00:52 1160.306353 10.174688 BFGS: 1221 17:00:52 1159.216202 10.164743 BFGS: 1222 17:00:52 1158.119400 10.154730 BFGS: 1223 17:00:52 1157.014290 10.144549 BFGS: 1224 17:00:52 1155.899587 10.134079 BFGS: 1225 17:00:52 1154.774076 10.123321 BFGS: 1226 17:00:52 1153.636532 10.112274 BFGS: 1227 17:00:53 1152.485740 10.100940 BFGS: 1228 17:00:53 1151.320509 10.089329 BFGS: 1229 17:00:53 1150.139902 10.077700 BFGS: 1230 17:00:53 1148.943189 10.065785 BFGS: 1231 17:00:53 1147.729200 10.053628 BFGS: 1232 17:00:53 1146.496692 10.041302 BFGS: 1233 17:00:53 1145.244471 10.028717 BFGS: 1234 17:00:53 1143.971545 10.015877 BFGS: 1235 17:00:54 1142.676526 10.004327 BFGS: 1236 17:00:54 1141.358441 9.993036 BFGS: 1237 17:00:54 1140.023422 9.981591 BFGS: 1238 17:00:54 1138.670957 9.970269 BFGS: 1239 17:00:54 1137.300720 9.958781 BFGS: 1240 17:00:54 1135.912546 9.947133 BFGS: 1241 17:00:54 1134.506274 9.935379 BFGS: 1242 17:00:54 1133.081243 9.923564 BFGS: 1243 17:00:54 1131.637013 9.911601 BFGS: 1244 17:00:55 1130.173604 9.899494 BFGS: 1245 17:00:55 1128.691058 9.887246 BFGS: 1246 17:00:55 1127.189435 9.874860 BFGS: 1247 17:00:55 1125.668682 9.862400 BFGS: 1248 17:00:55 1124.127890 9.849810 BFGS: 1249 17:00:55 1122.566949 9.837074 BFGS: 1250 17:00:55 1120.985773 9.824608 BFGS: 1251 17:00:55 1119.384088 9.812123 BFGS: 1252 17:00:56 1117.761878 9.799564 BFGS: 1253 17:00:56 1116.118595 9.787294 BFGS: 1254 17:00:56 1114.453121 9.775824 BFGS: 1255 17:00:56 1112.764429 9.764450 BFGS: 1256 17:00:56 1111.052535 9.752898 BFGS: 1257 17:00:56 1109.317607 9.741859 BFGS: 1258 17:00:56 1107.559691 9.730648 BFGS: 1259 17:00:56 1105.779087 9.719252 BFGS: 1260 17:00:57 1103.976523 9.707658 BFGS: 1261 17:00:57 1102.152351 9.695852 BFGS: 1262 17:00:57 1100.306888 9.683824 BFGS: 1263 17:00:57 1098.440497 9.671560 BFGS: 1264 17:00:57 1096.553593 9.659081 BFGS: 1265 17:00:57 1094.646827 9.646592 BFGS: 1266 17:00:57 1092.721246 9.634015 BFGS: 1267 17:00:57 1090.777646 9.621138 BFGS: 1268 17:00:57 1088.816759 9.607947 BFGS: 1269 17:00:58 1086.839439 9.594425 BFGS: 1270 17:00:58 1084.846556 9.580945 BFGS: 1271 17:00:58 1082.837617 9.567586 BFGS: 1272 17:00:58 1080.812656 9.553886 BFGS: 1273 17:00:58 1078.772398 9.539862 BFGS: 1274 17:00:58 1076.716589 9.525635 BFGS: 1275 17:00:58 1074.648255 9.511025 BFGS: 1276 17:00:58 1072.568916 9.496001 BFGS: 1277 17:00:59 1070.479985 9.480757 BFGS: 1278 17:00:59 1068.382560 9.465081 BFGS: 1279 17:00:59 1066.275473 9.448789 BFGS: 1280 17:00:59 1064.166500 9.432130 BFGS: 1281 17:00:59 1062.058642 9.415124 BFGS: 1282 17:00:59 1059.954944 9.398161 BFGS: 1283 17:00:59 1057.857277 9.382448 BFGS: 1284 17:00:59 1055.768048 9.366420 BFGS: 1285 17:00:59 1053.690340 9.350101 BFGS: 1286 17:01:00 1051.627106 9.333515 BFGS: 1287 17:01:00 1049.581099 9.316684 BFGS: 1288 17:01:00 1047.554806 9.299635 BFGS: 1289 17:01:00 1045.550399 9.282390 BFGS: 1290 17:01:00 1043.569710 9.264974 BFGS: 1291 17:01:00 1041.614206 9.247408 BFGS: 1292 17:01:00 1039.684994 9.229926 BFGS: 1293 17:01:00 1037.782888 9.212569 BFGS: 1294 17:01:01 1035.908411 9.195120 BFGS: 1295 17:01:01 1034.061690 9.177642 BFGS: 1296 17:01:01 1032.242634 9.160340 BFGS: 1297 17:01:01 1030.451651 9.143106 BFGS: 1298 17:01:01 1028.687809 9.125867 BFGS: 1299 17:01:01 1026.950364 9.108591 BFGS: 1300 17:01:01 1025.237858 9.091284 BFGS: 1301 17:01:01 1023.560658 9.074070 BFGS: 1302 17:01:01 1021.918856 9.056967 BFGS: 1303 17:01:02 1020.310657 9.040132 BFGS: 1304 17:01:02 1018.734184 9.023444 BFGS: 1305 17:01:02 1017.187868 9.006860 BFGS: 1306 17:01:02 1015.670351 8.990386 BFGS: 1307 17:01:02 1014.181066 8.974025 BFGS: 1308 17:01:02 1012.719128 8.958230 BFGS: 1309 17:01:02 1011.283473 8.942940 BFGS: 1310 17:01:02 1009.872903 8.927717 BFGS: 1311 17:01:03 1008.486484 8.912557 BFGS: 1312 17:01:03 1007.123369 8.897459 BFGS: 1313 17:01:03 1005.782785 8.882420 BFGS: 1314 17:01:03 1004.464030 8.867436 BFGS: 1315 17:01:03 1003.166489 8.852728 BFGS: 1316 17:01:03 1001.890238 8.838800 BFGS: 1317 17:01:03 1000.635632 8.825032 BFGS: 1318 17:01:03 999.402153 8.811303 BFGS: 1319 17:01:03 998.189257 8.797608 BFGS: 1320 17:01:04 996.996432 8.783944 BFGS: 1321 17:01:04 995.823194 8.770306 BFGS: 1322 17:01:04 994.669080 8.756690 BFGS: 1323 17:01:04 993.533645 8.743091 BFGS: 1324 17:01:04 992.416283 8.729516 BFGS: 1325 17:01:04 991.316099 8.715964 BFGS: 1326 17:01:04 990.232695 8.702430 BFGS: 1327 17:01:04 989.165730 8.688908 BFGS: 1328 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17:05:54 1.473794 0.230516 BFGS: 6233 17:05:54 1.469883 0.231127 BFGS: 6234 17:05:54 1.465949 0.231717 BFGS: 6235 17:05:54 1.461993 0.232285 BFGS: 6236 17:05:54 1.458013 0.232833 BFGS: 6237 17:05:54 1.454009 0.233360 BFGS: 6238 17:05:54 1.449982 0.233867 BFGS: 6239 17:05:54 1.445931 0.234354 BFGS: 6240 17:05:54 1.441855 0.234820 BFGS: 6241 17:05:54 1.437754 0.235267 BFGS: 6242 17:05:54 1.433629 0.235693 BFGS: 6243 17:05:54 1.429477 0.236099 BFGS: 6244 17:05:54 1.425300 0.236484 BFGS: 6245 17:05:54 1.421097 0.236849 BFGS: 6246 17:05:54 1.416867 0.237192 BFGS: 6247 17:05:54 1.412609 0.237514 BFGS: 6248 17:05:54 1.408324 0.237815 BFGS: 6249 17:05:54 1.404001 0.238093 BFGS: 6250 17:05:54 1.399659 0.238333 BFGS: 6251 17:05:54 1.395308 0.238539 BFGS: 6252 17:05:54 1.390949 0.238713 BFGS: 6253 17:05:54 1.386585 0.238861 BFGS: 6254 17:05:54 1.382215 0.238983 BFGS: 6255 17:05:54 1.377842 0.239082 BFGS: 6256 17:05:54 1.373465 0.239159 BFGS: 6257 17:05:54 1.369084 0.239215 BFGS: 6258 17:05:54 1.364701 0.239250 BFGS: 6259 17:05:54 1.360316 0.239266 BFGS: 6260 17:05:54 1.355928 0.239261 BFGS: 6261 17:05:54 1.351538 0.239238 BFGS: 6262 17:05:54 1.347147 0.239195 BFGS: 6263 17:05:54 1.342754 0.239134 BFGS: 6264 17:05:54 1.338360 0.239054 BFGS: 6265 17:05:54 1.333964 0.238956 BFGS: 6266 17:05:55 1.329567 0.238839 BFGS: 6267 17:05:55 1.325168 0.238704 BFGS: 6268 17:05:55 1.320769 0.238550 BFGS: 6269 17:05:55 1.316368 0.238378 BFGS: 6270 17:05:55 1.311966 0.238187 BFGS: 6271 17:05:55 1.307563 0.237978 BFGS: 6272 17:05:55 1.303159 0.237750 BFGS: 6273 17:05:55 1.298754 0.237504 BFGS: 6274 17:05:55 1.294348 0.237239 BFGS: 6275 17:05:55 1.289952 0.236955 BFGS: 6276 17:05:55 1.285679 0.236564 BFGS: 6277 17:05:55 1.281407 0.235902 BFGS: 6278 17:05:55 1.277124 0.235069 BFGS: 6279 17:05:55 1.272824 0.234120 BFGS: 6280 17:05:55 1.268505 0.233085 BFGS: 6281 17:05:55 1.264162 0.231981 BFGS: 6282 17:05:55 1.259790 0.230817 BFGS: 6283 17:05:55 1.255381 0.229596 BFGS: 6284 17:05:55 1.250927 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17:05:59 0.126028 0.091265 BFGS: 6443 17:05:59 0.123593 0.090274 BFGS: 6444 17:05:59 0.121193 0.089287 BFGS: 6445 17:05:59 0.118826 0.088303 BFGS: 6446 17:05:59 0.116492 0.087322 BFGS: 6447 17:05:59 0.114190 0.086343 BFGS: 6448 17:05:59 0.111921 0.085367 BFGS: 6449 17:05:59 0.109682 0.084393 BFGS: 6450 17:05:59 0.107467 0.083425 BFGS: 6451 17:05:59 0.105278 0.082459 BFGS: 6452 17:05:59 0.103113 0.081495 BFGS: 6453 17:05:59 0.100972 0.080532 BFGS: 6454 17:05:59 0.098854 0.079567 BFGS: 6455 17:05:59 0.096758 0.078603 BFGS: 6456 17:05:59 0.094684 0.077637 BFGS: 6457 17:05:59 0.092631 0.076669 BFGS: 6458 17:05:59 0.090599 0.075701 BFGS: 6459 17:05:59 0.088588 0.074731 BFGS: 6460 17:05:59 0.086598 0.073759 BFGS: 6461 17:05:59 0.084627 0.072786 BFGS: 6462 17:05:59 0.082677 0.071811 BFGS: 6463 17:05:59 0.080747 0.070834 BFGS: 6464 17:05:59 0.078837 0.069855 BFGS: 6465 17:05:59 0.076947 0.068874 BFGS: 6466 17:05:59 0.075077 0.067891 BFGS: 6467 17:05:59 0.073226 0.066906 BFGS: 6468 17:05:59 0.071396 0.065919 BFGS: 6469 17:05:59 0.069586 0.064929 BFGS: 6470 17:05:59 0.067800 0.063937 BFGS: 6471 17:05:59 0.066082 0.062949 BFGS: 6472 17:05:59 0.064435 0.061976 BFGS: 6473 17:06:00 0.062845 0.061026 BFGS: 6474 17:06:00 0.061303 0.060100 BFGS: 6475 17:06:00 0.059805 0.059197 BFGS: 6476 17:06:00 0.058350 0.058316 BFGS: 6477 17:06:00 0.056936 0.057453 BFGS: 6478 17:06:00 0.055555 0.056607 BFGS: 6479 17:06:00 0.054209 0.055754 BFGS: 6480 17:06:00 0.052892 0.054904 BFGS: 6481 17:06:00 0.051600 0.054059 BFGS: 6482 17:06:00 0.050333 0.053222 BFGS: 6483 17:06:00 0.049088 0.052394 BFGS: 6484 17:06:00 0.047867 0.051576 BFGS: 6485 17:06:00 0.046666 0.050768 BFGS: 6486 17:06:00 0.045487 0.049969 BFGS: 6487 17:06:00 0.044329 0.049180 BFGS: 6488 17:06:00 0.043190 0.048399 BFGS: 6489 17:06:00 0.042072 0.047628 BFGS: 6490 17:06:00 0.040972 0.046864 BFGS: 6491 17:06:00 0.039892 0.046109 BFGS: 6492 17:06:00 0.038830 0.045540 BFGS: 6493 17:06:00 0.037786 0.045107 BFGS: 6494 17:06:00 0.036759 0.044669 BFGS: 6495 17:06:00 0.035751 0.044225 BFGS: 6496 17:06:00 0.034759 0.043778 BFGS: 6497 17:06:00 0.033784 0.043325 BFGS: 6498 17:06:00 0.032826 0.042867 BFGS: 6499 17:06:00 0.031884 0.042405 BFGS: 6500 17:06:00 0.030958 0.041939 BFGS: 6501 17:06:00 0.030049 0.041468 BFGS: 6502 17:06:00 0.029154 0.040992 BFGS: 6503 17:06:00 0.028275 0.040512 BFGS: 6504 17:06:00 0.027412 0.040027 BFGS: 6505 17:06:00 0.026563 0.039538 BFGS: 6506 17:06:00 0.025730 0.039045 BFGS: 6507 17:06:00 0.024911 0.038548 BFGS: 6508 17:06:00 0.024107 0.038046 BFGS: 6509 17:06:00 0.023317 0.037540 BFGS: 6510 17:06:00 0.022542 0.037029 BFGS: 6511 17:06:00 0.021781 0.036515 BFGS: 6512 17:06:00 0.021034 0.035996 BFGS: 6513 17:06:00 0.020301 0.035473 BFGS: 6514 17:06:00 0.019582 0.034946 BFGS: 6515 17:06:00 0.018877 0.034415 BFGS: 6516 17:06:00 0.018186 0.033879 BFGS: 6517 17:06:00 0.017508 0.033340 BFGS: 6518 17:06:00 0.016844 0.032796 BFGS: 6519 17:06:00 0.016194 0.032248 BFGS: 6520 17:06:01 0.015557 0.031697 BFGS: 6521 17:06:01 0.014934 0.031141 BFGS: 6522 17:06:01 0.014324 0.030581 BFGS: 6523 17:06:01 0.013728 0.030017 BFGS: 6524 17:06:01 0.013144 0.029449 BFGS: 6525 17:06:01 0.012574 0.028872 BFGS: 6526 17:06:01 0.012017 0.028279 BFGS: 6527 17:06:01 0.011473 0.027673 BFGS: 6528 17:06:01 0.010943 0.027056 BFGS: 6529 17:06:01 0.010425 0.026432 BFGS: 6530 17:06:01 0.009920 0.025800 BFGS: 6531 17:06:01 0.009429 0.025163 BFGS: 6532 17:06:01 0.008950 0.024521 BFGS: 6533 17:06:01 0.008485 0.023874 BFGS: 6534 17:06:01 0.008032 0.023224 BFGS: 6535 17:06:01 0.007593 0.022570 BFGS: 6536 17:06:01 0.007166 0.021913 BFGS: 6537 17:06:01 0.006752 0.021253 BFGS: 6538 17:06:01 0.006351 0.020590 BFGS: 6539 17:06:01 0.005963 0.019924 BFGS: 6540 17:06:01 0.005588 0.019255 BFGS: 6541 17:06:01 0.005224 0.018593 BFGS: 6542 17:06:01 0.004872 0.017934 BFGS: 6543 17:06:01 0.004532 0.017279 BFGS: 6544 17:06:01 0.004204 0.016633 BFGS: 6545 17:06:01 0.003888 0.015992 BFGS: 6546 17:06:01 0.003583 0.015356 BFGS: 6547 17:06:01 0.003290 0.014720 BFGS: 6548 17:06:01 0.003009 0.014086 BFGS: 6549 17:06:01 0.002740 0.013450 BFGS: 6550 17:06:01 0.002484 0.012813 BFGS: 6551 17:06:01 0.002240 0.012174 BFGS: 6552 17:06:01 0.002008 0.011532 BFGS: 6553 17:06:01 0.001789 0.010887 BFGS: 6554 17:06:01 0.001583 0.010239 BFGS: 6555 17:06:01 0.001389 0.009588 BFGS: 6556 17:06:01 0.001208 0.008933 BFGS: 6557 17:06:01 0.001041 0.008274 BFGS: 6558 17:06:01 0.000886 0.007610 BFGS: 6559 17:06:01 0.000744 0.006943 BFGS: 6560 17:06:01 0.000615 0.006283 BFGS: 6561 17:06:01 0.000499 0.005780 BFGS: 6562 17:06:01 0.000396 0.005271 BFGS: 6563 17:06:01 0.000305 0.004757 BFGS: 6564 17:06:01 0.000226 0.004239 BFGS: 6565 17:06:01 0.000160 0.003718 BFGS: 6566 17:06:01 0.000106 0.003198 BFGS: 6567 17:06:01 0.000064 0.002683 BFGS: 6568 17:06:02 0.000034 0.002125 BFGS: 6569 17:06:02 0.000015 0.001438 BFGS: 6570 17:06:02 0.000005 0.000773 BFGS: 6571 17:06:02 0.000002 0.000444 BFGS: 6572 17:06:02 0.000001 0.000362 BFGS: 6573 17:06:02 0.000000 0.000166 BFGS: 6574 17:06:02 0.000000 0.000116 BFGS: 6575 17:06:02 0.000000 0.000000 Minimization converged after 6575 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[5.37826869e-33 5.76800541e-01 2.50000000e-01] [0.00000000e+00 4.23199459e-01 7.50000000e-01] [5.00000000e-01 7.68005408e-02 2.50000000e-01] [5.00000000e-01 9.23199459e-01 7.50000000e-01] [2.72956663e-01 1.38122874e-16 0.00000000e+00] [7.27043337e-01 1.38122874e-16 5.00000000e-01] [7.72956663e-01 5.00000000e-01 0.00000000e+00] [2.27043337e-01 5.00000000e-01 5.00000000e-01] [7.27043337e-01 1.38122874e-16 2.60809822e-32] [2.72956663e-01 1.38122874e-16 5.00000000e-01] [2.27043337e-01 5.00000000e-01 2.99626257e-32] [7.72956663e-01 5.00000000e-01 5.00000000e-01] [1.92086855e-37 7.97813762e-01 3.75674582e-01] [0.00000000e+00 2.02186238e-01 8.75674582e-01] [0.00000000e+00 7.97813762e-01 1.24325418e-01] [0.00000000e+00 2.02186238e-01 6.24325418e-01] [5.00000000e-01 2.97813762e-01 3.75674582e-01] [5.00000000e-01 7.02186238e-01 8.75674582e-01] [5.00000000e-01 2.97813762e-01 1.24325418e-01] [5.00000000e-01 7.02186238e-01 6.24325418e-01] [8.89255306e-37 8.07497697e-01 6.24809264e-01] [0.00000000e+00 1.92502303e-01 1.24809264e-01] [1.83404239e-36 8.07497697e-01 8.75190736e-01] [0.00000000e+00 1.92502303e-01 3.75190736e-01] [5.00000000e-01 3.07497697e-01 6.24809264e-01] [5.00000000e-01 6.92502303e-01 1.24809264e-01] [5.00000000e-01 3.07497697e-01 8.75190736e-01] [5.00000000e-01 6.92502303e-01 3.75190736e-01] [2.04392791e-01 3.39034892e-01 2.50000000e-01] [7.95607209e-01 6.60965108e-01 7.50000000e-01] [7.95607209e-01 3.39034892e-01 2.50000000e-01] [2.04392791e-01 6.60965108e-01 7.50000000e-01] [7.04392791e-01 8.39034892e-01 2.50000000e-01] [2.95607209e-01 1.60965108e-01 7.50000000e-01] [2.95607209e-01 8.39034892e-01 2.50000000e-01] [7.04392791e-01 1.60965108e-01 7.50000000e-01] [1.40000600e-01 8.72514959e-01 2.50000000e-01] [8.59999400e-01 1.27485041e-01 7.50000000e-01] [8.59999400e-01 8.72514959e-01 2.50000000e-01] [1.40000600e-01 1.27485041e-01 7.50000000e-01] [6.40000600e-01 3.72514959e-01 2.50000000e-01] [3.59999400e-01 6.27485041e-01 7.50000000e-01] [3.59999400e-01 3.72514959e-01 2.50000000e-01] [6.40000600e-01 6.27485041e-01 7.50000000e-01] [5.83112539e-01 9.07432267e-01 3.93236294e-01] [4.16887461e-01 9.25677329e-02 8.93236294e-01] [4.16887461e-01 9.07432267e-01 1.06763706e-01] [5.83112539e-01 9.25677329e-02 6.06763706e-01] [8.31125391e-02 4.07432267e-01 3.93236294e-01] [9.16887461e-01 5.92567733e-01 8.93236294e-01] [9.16887461e-01 4.07432267e-01 1.06763706e-01] [8.31125391e-02 5.92567733e-01 6.06763706e-01] [4.16887461e-01 9.25677329e-02 6.06763706e-01] [5.83112539e-01 9.07432267e-01 1.06763706e-01] [5.83112539e-01 9.25677329e-02 8.93236294e-01] [4.16887461e-01 9.07432267e-01 3.93236294e-01] [9.16887461e-01 5.92567733e-01 6.06763706e-01] [8.31125391e-02 4.07432267e-01 1.06763706e-01] [8.31125391e-02 5.92567733e-01 8.93236294e-01] [9.16887461e-01 4.07432267e-01 3.93236294e-01] [8.43972552e-01 8.33760005e-01 5.66833018e-01] [1.56027448e-01 1.66239995e-01 6.68330184e-02] [1.56027448e-01 8.33760005e-01 9.33166982e-01] [8.43972552e-01 1.66239995e-01 4.33166982e-01] [3.43972552e-01 3.33760005e-01 5.66833018e-01] [6.56027448e-01 6.66239995e-01 6.68330184e-02] [6.56027448e-01 3.33760005e-01 9.33166982e-01] [3.43972552e-01 6.66239995e-01 4.33166982e-01] [1.56027448e-01 1.66239995e-01 4.33166982e-01] [8.43972552e-01 8.33760005e-01 9.33166982e-01] [8.43972552e-01 1.66239995e-01 6.68330184e-02] [1.56027448e-01 8.33760005e-01 5.66833018e-01] [6.56027448e-01 6.66239995e-01 4.33166982e-01] [3.43972552e-01 3.33760005e-01 9.33166982e-01] [3.43972552e-01 6.66239995e-01 6.68330184e-02] [6.56027448e-01 3.33760005e-01 5.66833018e-01] [8.72029869e-01 3.49498415e-01 6.25196340e-01] [1.27970131e-01 6.50501585e-01 1.25196340e-01] [1.27970131e-01 3.49498415e-01 8.74803660e-01] [8.72029869e-01 6.50501585e-01 3.74803660e-01] [3.72029869e-01 8.49498415e-01 6.25196340e-01] [6.27970131e-01 1.50501585e-01 1.25196340e-01] [6.27970131e-01 8.49498415e-01 8.74803660e-01] [3.72029869e-01 1.50501585e-01 3.74803660e-01] [1.27970131e-01 6.50501585e-01 3.74803660e-01] [8.72029869e-01 3.49498415e-01 8.74803660e-01] [8.72029869e-01 6.50501585e-01 1.25196340e-01] [1.27970131e-01 3.49498415e-01 6.25196340e-01] [6.27970131e-01 1.50501585e-01 3.74803660e-01] [3.72029869e-01 8.49498415e-01 8.74803660e-01] [3.72029869e-01 1.50501585e-01 1.25196340e-01] [6.27970131e-01 8.49498415e-01 6.25196340e-01]] cellpar = Cell([[63.72786413964991, -1.2575660635377342e-36, 0.0], [3.8759642555121534e-36, 39.32028847863512, 0.0], [0.0, 0.0, 40.15075780147945]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0