element(s): ['Ca', 'Si'] AFLOW prototype label: A14B19_hR66_167_b2cef_2ce2f Parameter names: ['a', 'c/a', 'x2', 'x3', 'x4', 'x5', 'x6', 'x7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.6627419', '7.9219349', '0.054730634', '0.10995619', '0.15297991', '0.21906542', '0.49912156', '0.83386845', '0.9427686', '0.19090354', '0.42750559', '0.83180081', '0.21519074', '0.38051718', '0.99060531', '0.43970547', '0.72942664'] model name: Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0. 0.55473063] [0. 0. 0.60995619] [0.75087844 0. 0.25 ] [0.57377968 0.66282237 0.35372591] [0. 0. 0.65297991] [0. 0. 0.71906542] [0.41613155 0. 0.25 ] [0.5713476 0.59397884 0.30916958] [0.00951417 0.280207 0.21991247]] spacegroup = 167 cell = [[8.6627, 0, 0], [-4.33135, 7.5021182653635, 0], [0, 0, 68.6257]] ========================================= Step Time Energy fmax BFGS: 0 16:48:02 -5038.275693 23.9087 BFGS: 1 16:48:02 -5056.706358 23.8210 BFGS: 2 16:48:02 -5069.859887 23.7409 BFGS: 3 16:48:03 -5079.985466 23.6667 BFGS: 4 16:48:03 -5088.129148 23.5975 BFGS: 5 16:48:03 -5094.872905 23.5326 BFGS: 6 16:48:04 -5100.577220 23.4712 BFGS: 7 16:48:04 -5105.479626 23.4131 BFGS: 8 16:48:05 -5109.747133 23.3578 BFGS: 9 16:48:07 -5113.498241 23.3050 BFGS: 10 16:48:08 -5116.823824 23.2544 BFGS: 11 16:48:09 -5119.793555 23.2058 BFGS: 12 16:48:09 -5122.459626 23.1590 BFGS: 13 16:48:10 -5124.866942 23.1138 BFGS: 14 16:48:12 -5127.050791 23.0699 BFGS: 15 16:48:13 -5129.039389 23.0273 BFGS: 16 16:48:14 -5130.858014 22.9859 BFGS: 17 16:48:15 -5132.526749 22.9455 BFGS: 18 16:48:16 -5134.063416 22.9061 BFGS: 19 16:48:17 -5135.484041 22.8675 BFGS: 20 16:48:18 -5136.801016 22.8296 BFGS: 21 16:48:19 -5138.027575 22.7924 BFGS: 22 16:48:19 -5139.173772 22.7558 BFGS: 23 16:48:20 -5140.248203 22.7197 BFGS: 24 16:48:21 -5141.260072 22.6841 BFGS: 25 16:48:22 -5142.217406 22.6490 BFGS: 26 16:48:23 -5143.126645 22.6142 BFGS: 27 16:48:23 -5143.993501 22.5798 BFGS: 28 16:48:24 -5144.824661 22.5456 BFGS: 29 16:48:25 -5145.624957 22.5117 BFGS: 30 16:48:26 -5146.400018 22.4780 BFGS: 31 16:48:26 -5147.152207 22.4445 BFGS: 32 16:48:27 -5147.885814 22.4111 BFGS: 33 16:48:28 -5148.603281 22.3779 BFGS: 34 16:48:29 -5149.308346 22.3447 BFGS: 35 16:48:30 -5150.001842 22.3116 BFGS: 36 16:48:31 -5150.687131 22.2786 BFGS: 37 16:48:32 -5151.364261 22.2456 BFGS: 38 16:48:33 -5152.033819 22.2126 BFGS: 39 16:48:34 -5152.697589 22.1797 BFGS: 40 16:48:35 -5153.355289 22.1467 BFGS: 41 16:48:36 -5154.007287 22.1138 BFGS: 42 16:48:37 -5154.653082 22.0808 BFGS: 43 16:48:38 -5155.292768 22.0479 BFGS: 44 16:48:39 -5155.925481 22.0150 BFGS: 45 16:48:40 -5156.551421 21.9821 BFGS: 46 16:48:41 -5157.168450 21.9493 BFGS: 47 16:48:42 -5157.776709 21.9164 BFGS: 48 16:48:42 -5158.375677 21.8836 BFGS: 49 16:48:44 -5158.963581 21.8508 BFGS: 50 16:48:45 -5159.539769 21.8181 BFGS: 51 16:48:46 -5160.103780 21.7854 BFGS: 52 16:48:46 -5160.654076 21.7527 BFGS: 53 16:48:47 -5161.189615 21.7202 BFGS: 54 16:48:48 -5161.710517 21.6877 BFGS: 55 16:48:49 -5162.214050 21.6553 BFGS: 56 16:48:50 -5162.701232 21.6229 BFGS: 57 16:48:51 -5163.170797 21.5907 BFGS: 58 16:48:52 -5163.621545 21.5586 BFGS: 59 16:48:53 -5164.051665 21.5267 BFGS: 60 16:48:54 -5164.462276 21.4948 BFGS: 61 16:48:55 -5164.852164 21.4631 BFGS: 62 16:48:56 -5165.222466 21.4315 BFGS: 63 16:48:57 -5165.570067 21.4001 BFGS: 64 16:48:58 -5165.896144 21.3688 BFGS: 65 16:48:59 -5166.200079 21.3377 BFGS: 66 16:49:00 -5166.481767 21.3068 BFGS: 67 16:49:02 -5166.741788 21.2760 BFGS: 68 16:49:03 -5166.978147 21.2454 BFGS: 69 16:49:04 -5167.191905 21.2149 BFGS: 70 16:49:06 -5167.383417 21.1846 BFGS: 71 16:49:08 -5167.552171 21.1545 BFGS: 72 16:49:09 -5167.698362 21.1246 BFGS: 73 16:49:10 -5167.821839 21.0948 BFGS: 74 16:49:11 -5167.923144 21.0652 BFGS: 75 16:49:12 -5168.001510 21.0358 BFGS: 76 16:49:13 -5168.059011 21.0066 BFGS: 77 16:49:14 -5168.093489 20.9776 BFGS: 78 16:49:16 -5168.106260 20.9487 BFGS: 79 16:49:17 -5168.096883 20.9200 BFGS: 80 16:49:18 -5168.067060 20.8915 BFGS: 81 16:49:19 -5168.015194 20.8632 BFGS: 82 16:49:20 -5167.942961 20.8350 BFGS: 83 16:49:21 -5167.850092 20.8071 BFGS: 84 16:49:22 -5167.736707 20.7792 BFGS: 85 16:49:23 -5167.602909 20.7516 BFGS: 86 16:49:24 -5167.449650 20.7241 BFGS: 87 16:49:25 -5167.276651 20.6968 BFGS: 88 16:49:26 -5167.084539 20.6696 BFGS: 89 16:49:27 -5166.873239 20.6426 BFGS: 90 16:49:28 -5166.643605 20.6157 BFGS: 91 16:49:29 -5166.395026 20.5890 BFGS: 92 16:49:30 -5166.127646 20.5624 BFGS: 93 16:49:32 -5165.843045 20.5360 BFGS: 94 16:49:33 -5165.541005 20.5097 BFGS: 95 16:49:34 -5165.221255 20.4836 BFGS: 96 16:49:35 -5164.884274 20.4576 BFGS: 97 16:49:36 -5164.530518 20.4317 BFGS: 98 16:49:37 -5164.159759 20.4059 BFGS: 99 16:49:38 -5163.773262 20.3803 BFGS: 100 16:49:39 -5163.370741 20.3548 BFGS: 101 16:49:40 -5162.952549 20.3294 BFGS: 102 16:49:41 -5162.518707 20.3041 BFGS: 103 16:49:42 -5162.069519 20.2789 BFGS: 104 16:49:43 -5161.605221 20.2539 BFGS: 105 16:49:45 -5161.126581 20.2289 BFGS: 106 16:49:46 -5160.633574 20.2041 BFGS: 107 16:49:47 -5160.126154 20.1793 BFGS: 108 16:49:49 -5159.605503 20.1547 BFGS: 109 16:49:50 -5159.071008 20.1301 BFGS: 110 16:49:51 -5158.523094 20.1057 BFGS: 111 16:49:52 -5157.961987 20.0813 BFGS: 112 16:49:54 -5157.388857 20.0570 BFGS: 113 16:49:56 -5156.803123 20.0329 BFGS: 114 16:49:57 -5156.204625 20.0088 BFGS: 115 16:49:59 -5155.594266 19.9848 BFGS: 116 16:50:00 -5154.972913 19.9608 BFGS: 117 16:50:01 -5154.340077 19.9370 BFGS: 118 16:50:02 -5153.695927 19.9132 BFGS: 119 16:50:03 -5153.041522 19.8895 BFGS: 120 16:50:03 -5152.376003 19.8659 BFGS: 121 16:50:04 -5151.700859 19.8423 BFGS: 122 16:50:05 -5151.015123 19.8189 BFGS: 123 16:50:06 -5150.319694 19.7955 BFGS: 124 16:50:06 -5149.615354 19.7722 BFGS: 125 16:50:08 -5148.901481 19.7489 BFGS: 126 16:50:08 -5148.178695 19.7257 BFGS: 127 16:50:09 -5147.446933 19.7026 BFGS: 128 16:50:11 -5146.707687 19.6795 BFGS: 129 16:50:12 -5145.959392 19.6565 BFGS: 130 16:50:13 -5145.203592 19.6336 BFGS: 131 16:50:14 -5144.440078 19.6107 BFGS: 132 16:50:15 -5143.668705 19.5879 BFGS: 133 16:50:16 -5142.890646 19.5652 BFGS: 134 16:50:17 -5142.105304 19.5425 BFGS: 135 16:50:19 -5141.313616 19.5199 BFGS: 136 16:50:20 -5140.515655 19.4973 BFGS: 137 16:50:22 -5139.710474 19.4748 BFGS: 138 16:50:23 -5138.900124 19.4524 BFGS: 139 16:50:25 -5138.083536 19.4300 BFGS: 140 16:50:26 -5137.261878 19.4076 BFGS: 141 16:50:27 -5136.434123 19.3853 BFGS: 142 16:50:28 -5135.601480 19.3631 BFGS: 143 16:50:29 -5134.764221 19.3409 BFGS: 144 16:50:30 -5133.922168 19.3188 BFGS: 145 16:50:30 -5133.074908 19.2967 BFGS: 146 16:50:31 -5132.223261 19.2747 BFGS: 147 16:50:32 -5131.367812 19.2527 BFGS: 148 16:50:33 -5130.508240 19.2308 BFGS: 149 16:50:34 -5129.644920 19.2089 BFGS: 150 16:50:35 -5128.777772 19.1871 BFGS: 151 16:50:36 -5127.905576 19.0273 BFGS: 152 16:50:37 -5127.052946 19.0055 BFGS: 153 16:50:38 -5126.196602 18.9839 BFGS: 154 16:50:39 -5125.336152 18.9622 BFGS: 155 16:50:40 -5124.473675 19.0782 BFGS: 156 16:50:41 -5123.596738 18.9192 BFGS: 157 16:50:42 -5122.739190 18.8977 BFGS: 158 16:50:43 -5121.877448 18.8762 BFGS: 159 16:50:44 -5121.012317 18.8548 BFGS: 160 16:50:45 -5120.143533 18.8335 BFGS: 161 16:50:46 -5119.271557 18.8122 BFGS: 162 16:50:47 -5118.396087 18.7909 BFGS: 163 16:50:49 -5117.517857 18.7698 BFGS: 164 16:50:50 -5116.638533 18.8851 BFGS: 165 16:50:51 -5115.745370 18.7277 BFGS: 166 16:50:52 -5114.872083 18.7066 BFGS: 167 16:50:53 -5113.995452 18.6855 BFGS: 168 16:50:54 -5113.115411 18.6646 BFGS: 169 16:50:55 -5112.232590 18.6436 BFGS: 170 16:50:56 -5111.347565 18.6228 BFGS: 171 16:50:58 -5110.460232 18.6020 BFGS: 172 16:50:59 -5109.570319 18.5812 BFGS: 173 16:51:00 -5108.678737 18.5605 BFGS: 174 16:51:01 -5107.784958 18.5399 BFGS: 175 16:51:02 -5106.889287 18.5193 BFGS: 176 16:51:03 -5105.992800 18.4988 BFGS: 177 16:51:04 -5105.093782 18.4784 BFGS: 178 16:51:05 -5104.194136 18.4579 BFGS: 179 16:51:06 -5103.294365 18.5721 BFGS: 180 16:51:07 -5102.383402 18.5518 BFGS: 181 16:51:08 -5101.469632 18.3971 BFGS: 182 16:51:10 -5100.576007 18.3768 BFGS: 183 16:51:12 -5099.680101 18.3566 BFGS: 184 16:51:14 -5098.783147 18.3365 BFGS: 185 16:51:15 -5097.884133 18.3163 BFGS: 186 16:51:17 -5096.984543 18.2963 BFGS: 187 16:51:18 -5096.083512 18.2763 BFGS: 188 16:51:20 -5095.181629 18.2564 BFGS: 189 16:51:20 -5094.278583 18.2365 BFGS: 190 16:51:21 -5093.375378 18.2167 BFGS: 191 16:51:23 -5092.470980 18.1969 BFGS: 192 16:51:24 -5091.566069 18.1772 BFGS: 193 16:51:25 -5090.660824 18.1575 BFGS: 194 16:51:27 -5089.755423 18.1379 BFGS: 195 16:51:28 -5088.849000 18.1183 BFGS: 196 16:51:32 -5087.942639 18.0988 BFGS: 197 16:51:34 -5087.035598 18.0793 BFGS: 198 16:51:36 -5086.128802 18.0599 BFGS: 199 16:51:39 -5085.221525 18.0405 BFGS: 200 16:51:40 -5084.314820 18.0212 BFGS: 201 16:51:42 -5083.406898 18.0019 BFGS: 202 16:51:44 -5082.499956 17.9827 BFGS: 203 16:51:45 -5081.592703 17.9636 BFGS: 204 16:51:47 -5080.686050 17.9445 BFGS: 205 16:51:49 -5079.779140 17.9254 BFGS: 206 16:51:51 -5078.872747 17.9064 BFGS: 207 16:51:52 -5077.966521 17.8875 BFGS: 208 16:51:53 -5077.061143 17.8685 BFGS: 209 16:51:54 -5076.155462 17.8497 BFGS: 210 16:51:56 -5075.250263 17.8309 BFGS: 211 16:51:59 -5074.345129 17.8121 BFGS: 212 16:52:01 -5073.440662 17.7934 BFGS: 213 16:52:04 -5072.536479 17.7747 BFGS: 214 16:52:05 -5071.632436 17.7562 BFGS: 215 16:52:07 -5070.729698 17.7376 BFGS: 216 16:52:08 -5069.826681 17.7191 BFGS: 217 16:52:09 -5068.924712 17.7007 BFGS: 218 16:52:11 -5068.023363 17.6823 BFGS: 219 16:52:13 -5067.126120 17.9829 BFGS: 220 16:52:15 -5066.201413 17.6457 BFGS: 221 16:52:17 -5065.321085 17.6274 BFGS: 222 16:52:19 -5064.439637 17.6091 BFGS: 223 16:52:21 -5063.557842 17.5908 BFGS: 224 16:52:22 -5062.676382 17.5726 BFGS: 225 16:52:24 -5061.793935 17.5545 BFGS: 226 16:52:25 -5060.911066 17.5364 BFGS: 227 16:52:26 -5060.028085 17.5184 BFGS: 228 16:52:27 -5059.144959 17.5004 BFGS: 229 16:52:28 -5058.262161 17.4825 BFGS: 230 16:52:29 -5057.378497 17.4646 BFGS: 231 16:52:30 -5056.498982 17.7561 BFGS: 232 16:52:32 -5055.594421 17.7377 BFGS: 233 16:52:34 -5054.686166 17.4115 BFGS: 234 16:52:36 -5053.820362 17.3937 BFGS: 235 16:52:39 -5052.953068 17.3760 BFGS: 236 16:52:41 -5052.088166 17.6638 BFGS: 237 16:52:43 -5051.193714 17.3408 BFGS: 238 16:52:46 -5050.338043 17.3232 BFGS: 239 16:52:49 -5049.481910 17.3057 BFGS: 240 16:52:51 -5048.623827 17.2881 BFGS: 241 16:52:53 -5047.763838 17.2707 BFGS: 242 16:52:55 -5046.903658 17.2533 BFGS: 243 16:52:57 -5046.041578 17.2359 BFGS: 244 16:53:00 -5045.178957 17.2186 BFGS: 245 16:53:02 -5044.315266 17.2013 BFGS: 246 16:53:04 -5043.451475 17.1841 BFGS: 247 16:53:06 -5042.586533 17.1669 BFGS: 248 16:53:09 -5041.721014 17.1498 BFGS: 249 16:53:11 -5040.854909 17.1328 BFGS: 250 16:53:13 -5039.988908 17.1158 BFGS: 251 16:53:14 -5039.122246 17.0988 BFGS: 252 16:53:15 -5038.255609 17.0819 BFGS: 253 16:53:17 -5037.388603 17.0651 BFGS: 254 16:53:18 -5036.521524 17.0483 BFGS: 255 16:53:19 -5035.654303 17.0315 BFGS: 256 16:53:21 -5034.787186 17.0148 BFGS: 257 16:53:23 -5033.920710 16.9982 BFGS: 258 16:53:25 -5033.054300 16.9816 BFGS: 259 16:53:27 -5032.187739 16.9651 BFGS: 260 16:53:28 -5031.321502 16.9486 BFGS: 261 16:53:29 -5030.455097 16.9321 BFGS: 262 16:53:30 -5029.589653 16.9157 BFGS: 263 16:53:32 -5028.724906 16.8993 BFGS: 264 16:53:33 -5027.859921 16.8831 BFGS: 265 16:53:34 -5026.995483 16.8668 BFGS: 266 16:53:36 -5026.132923 16.8506 BFGS: 267 16:53:38 -5025.268940 16.8345 BFGS: 268 16:53:39 -5024.406671 16.8184 BFGS: 269 16:53:40 -5023.544332 16.8024 BFGS: 270 16:53:41 -5022.683193 16.7864 BFGS: 271 16:53:42 -5021.822599 16.7705 BFGS: 272 16:53:43 -5020.963069 16.7546 BFGS: 273 16:53:45 -5020.104043 16.7388 BFGS: 274 16:53:46 -5019.245802 16.7230 BFGS: 275 16:53:48 -5018.388878 16.7072 BFGS: 276 16:53:51 -5017.532010 16.6916 BFGS: 277 16:53:53 -5016.677074 16.6759 BFGS: 278 16:53:55 -5015.822500 16.6603 BFGS: 279 16:53:57 -5014.969199 16.6448 BFGS: 280 16:53:59 -5014.116789 16.6293 BFGS: 281 16:54:00 -5013.265270 16.6139 BFGS: 282 16:54:03 -5012.414766 16.5985 BFGS: 283 16:54:04 -5011.565302 16.5832 BFGS: 284 16:54:04 -5010.717776 16.5679 BFGS: 285 16:54:05 -5009.870295 16.5527 BFGS: 286 16:54:06 -5009.024961 16.5375 BFGS: 287 16:54:07 -5008.180364 16.5223 BFGS: 288 16:54:08 -5007.337066 16.5073 BFGS: 289 16:54:11 -5006.495393 16.4922 BFGS: 290 16:54:13 -5005.642950 15.6860 BFGS: 291 16:54:14 -5004.892993 15.6713 BFGS: 292 16:54:15 -5004.141107 15.6567 BFGS: 293 16:54:17 -5003.387052 15.6421 BFGS: 294 16:54:19 -5002.630971 15.6276 BFGS: 295 16:54:20 -5001.874560 15.6132 BFGS: 296 16:54:21 -5001.116335 15.5988 BFGS: 297 16:54:22 -5000.357340 15.5844 BFGS: 298 16:54:23 -4999.600159 15.8378 BFGS: 299 16:54:24 -4998.823753 16.5183 BFGS: 300 16:54:26 -4997.964579 15.5417 BFGS: 301 16:54:28 -4997.225321 15.5275 BFGS: 302 16:54:30 -4996.482717 15.5133 BFGS: 303 16:54:31 -4995.737657 15.4991 BFGS: 304 16:54:33 -4995.003191 16.4424 BFGS: 305 16:54:35 -4994.159694 15.4708 BFGS: 306 16:54:37 -4993.431621 15.4566 BFGS: 307 16:54:38 -4992.698624 15.4424 BFGS: 308 16:54:43 -4991.961719 15.4282 BFGS: 309 16:54:48 -4991.220338 15.4141 BFGS: 310 16:54:52 -4990.491182 16.3516 BFGS: 311 16:54:59 -4989.651091 15.3860 BFGS: 312 16:55:01 -4988.922604 15.3719 BFGS: 313 16:55:02 -4988.188540 15.3578 BFGS: 314 16:55:03 -4987.449473 15.3438 BFGS: 315 16:55:04 -4986.706806 15.3298 BFGS: 316 16:55:05 -4985.960221 15.3158 BFGS: 317 16:55:06 -4985.211172 15.3018 BFGS: 318 16:55:08 -4984.473470 16.2317 BFGS: 319 16:55:09 -4983.628118 15.2740 BFGS: 320 16:55:10 -4982.887774 15.2601 BFGS: 321 16:55:10 -4982.142704 15.2463 BFGS: 322 16:55:11 -4981.393982 15.2324 BFGS: 323 16:55:12 -4980.641559 15.2186 BFGS: 324 16:55:13 -4979.884583 15.2049 BFGS: 325 16:55:14 -4979.124737 15.1911 BFGS: 326 16:55:15 -4978.362144 15.1774 BFGS: 327 16:55:17 -4977.596733 15.1638 BFGS: 328 16:55:19 -4976.828492 15.1502 BFGS: 329 16:55:22 -4976.057931 15.1366 BFGS: 330 16:55:24 -4975.284682 15.1231 BFGS: 331 16:55:29 -4974.510044 15.1096 BFGS: 332 16:55:33 -4973.733074 15.0962 BFGS: 333 16:55:37 -4972.954345 15.0828 BFGS: 334 16:55:41 -4972.174129 15.0695 BFGS: 335 16:55:43 -4971.392605 15.0562 BFGS: 336 16:55:45 -4970.609213 15.0429 BFGS: 337 16:55:48 -4969.824221 15.0297 BFGS: 338 16:55:50 -4969.038693 15.0165 BFGS: 339 16:55:52 -4968.266771 15.9273 BFGS: 340 16:55:54 -4967.398654 14.9901 BFGS: 341 16:55:57 -4966.623616 14.9770 BFGS: 342 16:55:59 -4965.846154 14.9639 BFGS: 343 16:56:00 -4965.066916 14.9508 BFGS: 344 16:56:01 -4964.284896 14.9377 BFGS: 345 16:56:02 -4963.502053 14.9247 BFGS: 346 16:56:03 -4962.716790 14.9117 BFGS: 347 16:56:04 -4961.929376 14.8988 BFGS: 348 16:56:04 -4961.140637 14.8858 BFGS: 349 16:56:06 -4960.350743 14.8729 BFGS: 350 16:56:07 -4959.561254 15.1181 BFGS: 351 16:56:08 -4958.744439 14.8472 BFGS: 352 16:56:09 -4957.963937 15.7465 BFGS: 353 16:56:10 -4957.092228 14.8214 BFGS: 354 16:56:12 -4956.307612 14.8086 BFGS: 355 16:56:14 -4955.520482 14.7957 BFGS: 356 16:56:16 -4954.744221 15.6914 BFGS: 357 16:56:20 -4953.876724 14.7700 BFGS: 358 16:56:21 -4953.093563 14.7572 BFGS: 359 16:56:24 -4952.307572 14.7444 BFGS: 360 16:56:25 -4951.518363 14.7316 BFGS: 361 16:56:27 -4950.726995 14.7188 BFGS: 362 16:56:29 -4949.932668 14.7061 BFGS: 363 16:56:31 -4949.138199 14.9490 BFGS: 364 16:56:33 -4948.316764 14.6806 BFGS: 365 16:56:35 -4947.528017 15.6515 BFGS: 366 16:56:36 -4946.650684 14.9101 BFGS: 367 16:56:37 -4945.835384 14.6424 BFGS: 368 16:56:39 -4945.039279 14.6297 BFGS: 369 16:56:40 -4944.240457 14.6170 BFGS: 370 16:56:41 -4943.438619 14.6044 BFGS: 371 16:56:44 -4942.634060 14.5918 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BFGS: 1428 17:24:27 -4036.681699 4.8962 BFGS: 1429 17:24:29 -4035.990553 4.8915 BFGS: 1430 17:24:31 -4035.299796 4.8868 BFGS: 1431 17:24:33 -4034.608736 4.8821 BFGS: 1432 17:24:35 -4033.918241 4.8774 BFGS: 1433 17:24:37 -4033.228885 4.8727 BFGS: 1434 17:24:38 -4032.538807 4.8680 BFGS: 1435 17:24:40 -4031.848998 4.8633 BFGS: 1436 17:24:42 -4031.159244 4.8586 BFGS: 1437 17:24:43 -4030.470083 4.8539 BFGS: 1438 17:24:44 -4029.780845 4.8493 BFGS: 1439 17:24:46 -4029.092030 4.8446 BFGS: 1440 17:24:47 -4028.403514 4.8399 BFGS: 1441 17:24:49 -4027.715013 4.8353 BFGS: 1442 17:24:50 -4027.026748 4.8306 BFGS: 1443 17:24:50 -4026.338917 4.8260 BFGS: 1444 17:24:52 -4025.652083 4.8213 BFGS: 1445 17:24:53 -4024.964826 4.8166 BFGS: 1446 17:24:54 -4024.278052 4.8120 BFGS: 1447 17:24:56 -4023.591197 4.8074 BFGS: 1448 17:24:58 -4022.904278 4.8027 BFGS: 1449 17:25:00 -4022.217784 4.7981 BFGS: 1450 17:25:02 -4021.531511 4.7935 BFGS: 1451 17:25:03 -4020.845610 4.7889 BFGS: 1452 17:25:05 -4020.159937 4.7843 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BFGS: 2078 17:38:06 -3629.729138 2.5646 BFGS: 2079 17:38:07 -3629.155090 2.5619 BFGS: 2080 17:38:08 -3628.581008 2.5591 BFGS: 2081 17:38:09 -3628.007420 2.2996 BFGS: 2082 17:38:09 -3627.436707 2.2970 BFGS: 2083 17:38:10 -3626.865644 2.2945 BFGS: 2084 17:38:11 -3626.294734 2.2920 BFGS: 2085 17:38:12 -3625.724041 2.2895 BFGS: 2086 17:38:12 -3625.153356 2.2869 BFGS: 2087 17:38:13 -3624.582886 2.2844 BFGS: 2088 17:38:14 -3624.012449 2.2819 BFGS: 2089 17:38:15 -3623.442133 2.2794 BFGS: 2090 17:38:16 -3622.872050 2.2769 BFGS: 2091 17:38:17 -3622.302037 2.2744 BFGS: 2092 17:38:17 -3621.732073 2.2719 BFGS: 2093 17:38:18 -3621.162289 2.2694 BFGS: 2094 17:38:19 -3620.592661 2.2669 BFGS: 2095 17:38:19 -3620.023039 2.2644 BFGS: 2096 17:38:20 -3619.453554 2.2619 BFGS: 2097 17:38:21 -3618.884375 2.2594 BFGS: 2098 17:38:22 -3618.315181 2.2569 BFGS: 2099 17:38:23 -3617.746094 2.2544 BFGS: 2100 17:38:23 -3617.177279 2.2519 BFGS: 2101 17:38:24 -3616.608484 2.2494 BFGS: 2102 17:38:25 -3616.039636 2.2470 BFGS: 2103 17:38:25 -3615.471128 2.2445 BFGS: 2104 17:38:26 -3614.902751 2.2420 BFGS: 2105 17:38:27 -3614.334493 2.2395 BFGS: 2106 17:38:28 -3613.766326 2.2370 BFGS: 2107 17:38:29 -3613.198136 2.2346 BFGS: 2108 17:38:30 -3612.630256 2.2321 BFGS: 2109 17:38:31 -3612.062460 2.2296 BFGS: 2110 17:38:31 -3611.494749 2.2272 BFGS: 2111 17:38:32 -3610.927164 2.2247 BFGS: 2112 17:38:33 -3610.359774 2.2222 BFGS: 2113 17:38:34 -3609.792551 2.2198 BFGS: 2114 17:38:35 -3609.225249 2.2173 BFGS: 2115 17:38:36 -3608.658152 2.2149 BFGS: 2116 17:38:37 -3608.091208 2.2124 BFGS: 2117 17:38:38 -3607.524452 2.2099 BFGS: 2118 17:38:39 -3606.957822 2.2075 BFGS: 2119 17:38:40 -3606.391169 2.2050 BFGS: 2120 17:38:41 -3605.824699 2.2026 BFGS: 2121 17:38:41 -3605.258372 2.2002 BFGS: 2122 17:38:42 -3604.692229 2.1977 BFGS: 2123 17:38:43 -3604.126097 2.1953 BFGS: 2124 17:38:44 -3603.560173 2.1928 BFGS: 2125 17:38:45 -3602.994356 2.1904 BFGS: 2126 17:38:46 -3602.428636 2.1880 BFGS: 2127 17:38:46 -3601.863035 2.1855 BFGS: 2128 17:38:47 -3601.297516 2.1831 BFGS: 2129 17:38:48 -3600.732243 2.1807 BFGS: 2130 17:38:49 -3600.166954 2.1782 BFGS: 2131 17:38:49 -3599.601980 2.1758 BFGS: 2132 17:38:50 -3599.036981 2.1734 BFGS: 2133 17:38:51 -3598.472074 2.1710 BFGS: 2134 17:38:51 -3597.907402 2.1685 BFGS: 2135 17:38:52 -3597.342746 2.1661 BFGS: 2136 17:38:53 -3596.778310 2.1637 BFGS: 2137 17:38:53 -3596.214036 2.1613 BFGS: 2138 17:38:54 -3595.649782 2.1589 BFGS: 2139 17:38:55 -3595.085668 2.1565 BFGS: 2140 17:38:55 -3594.521692 2.1541 BFGS: 2141 17:38:56 -3593.957834 2.1516 BFGS: 2142 17:38:56 -3593.394055 2.1492 BFGS: 2143 17:38:57 -3592.830399 2.1468 BFGS: 2144 17:38:58 -3592.266989 2.1444 BFGS: 2145 17:38:58 -3591.703693 2.1420 BFGS: 2146 17:38:59 -3591.140743 2.1396 BFGS: 2147 17:38:59 -3590.577524 2.1372 BFGS: 2148 17:38:59 -3590.014613 2.1348 BFGS: 2149 17:38:59 -3589.451801 2.1324 BFGS: 2150 17:39:00 -3588.889116 2.1301 BFGS: 2151 17:39:00 -3588.326755 2.1277 BFGS: 2152 17:39:01 -3587.764238 2.1253 BFGS: 2153 17:39:02 -3587.201885 2.1229 BFGS: 2154 17:39:02 -3586.639672 2.1205 BFGS: 2155 17:39:03 -3586.077440 2.1181 BFGS: 2156 17:39:04 -3585.515433 2.1157 BFGS: 2157 17:39:04 -3584.953607 2.1134 BFGS: 2158 17:39:04 -3584.391801 2.1110 BFGS: 2159 17:39:04 -3583.830133 2.1086 BFGS: 2160 17:39:05 -3583.268559 2.1062 BFGS: 2161 17:39:05 -3582.707177 2.1039 BFGS: 2162 17:39:06 -3582.146020 2.1015 BFGS: 2163 17:39:07 -3581.584838 2.0991 BFGS: 2164 17:39:07 -3581.024088 2.0968 BFGS: 2165 17:39:08 -3580.463178 2.0944 BFGS: 2166 17:39:09 -3579.902501 2.0921 BFGS: 2167 17:39:10 -3579.341843 2.0897 BFGS: 2168 17:39:10 -3578.781231 2.0873 BFGS: 2169 17:39:11 -3578.220794 2.0850 BFGS: 2170 17:39:11 -3577.660593 2.0826 BFGS: 2171 17:39:12 -3577.100442 2.0803 BFGS: 2172 17:39:13 -3576.540328 2.0779 BFGS: 2173 17:39:14 -3575.980381 2.0756 BFGS: 2174 17:39:15 -3575.420605 2.0732 BFGS: 2175 17:39:15 -3574.860944 2.0709 BFGS: 2176 17:39:17 -3574.301359 2.0685 BFGS: 2177 17:39:17 -3573.741851 2.0662 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BFGS: 2203 17:39:42 -3559.240868 2.0060 BFGS: 2204 17:39:42 -3558.684782 2.0037 BFGS: 2205 17:39:43 -3558.128774 2.0014 BFGS: 2206 17:39:44 -3557.572822 1.9991 BFGS: 2207 17:39:45 -3557.017439 1.9968 BFGS: 2208 17:39:46 -3556.461803 1.9945 BFGS: 2209 17:39:48 -3555.906496 1.9922 BFGS: 2210 17:39:50 -3555.351086 1.9900 BFGS: 2211 17:39:51 -3554.795714 1.9877 BFGS: 2212 17:39:52 -3554.240599 1.9854 BFGS: 2213 17:39:53 -3553.685513 1.9831 BFGS: 2214 17:39:55 -3553.130626 1.9809 BFGS: 2215 17:39:56 -3552.575794 1.9786 BFGS: 2216 17:39:57 -3552.021123 1.9763 BFGS: 2217 17:39:58 -3551.466515 1.9740 BFGS: 2218 17:40:00 -3550.912088 1.9718 BFGS: 2219 17:40:01 -3550.357770 1.9695 BFGS: 2220 17:40:02 -3549.803530 1.9673 BFGS: 2221 17:40:03 -3549.249571 1.9650 BFGS: 2222 17:40:05 -3548.695640 1.9627 BFGS: 2223 17:40:06 -3548.141709 1.9605 BFGS: 2224 17:40:06 -3547.587891 1.9582 BFGS: 2225 17:40:07 -3547.034536 1.9560 BFGS: 2226 17:40:09 -3546.481181 1.9537 BFGS: 2227 17:40:10 -3545.927824 1.9515 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BFGS: 3703 17:55:00 -2861.195769 0.5348 BFGS: 3704 17:55:00 -2860.827014 0.5344 BFGS: 3705 17:55:01 -2860.457652 0.5341 BFGS: 3706 17:55:01 -2860.088402 0.5339 BFGS: 3707 17:55:01 -2859.719306 0.5336 BFGS: 3708 17:55:02 -2859.350382 0.5333 BFGS: 3709 17:55:02 -2858.981603 0.5330 BFGS: 3710 17:55:03 -2858.612927 0.5327 BFGS: 3711 17:55:03 -2858.244379 0.5324 BFGS: 3712 17:55:03 -2857.875974 0.5321 BFGS: 3713 17:55:04 -2857.507750 0.5318 BFGS: 3714 17:55:04 -2857.139666 0.5315 BFGS: 3715 17:55:05 -2856.771644 0.5312 BFGS: 3716 17:55:05 -2856.403799 0.5309 BFGS: 3717 17:55:05 -2856.036141 0.5306 BFGS: 3718 17:55:06 -2855.668648 0.5303 BFGS: 3719 17:55:06 -2855.304591 0.5300 BFGS: 3720 17:55:06 -2854.938898 0.5296 BFGS: 3721 17:55:07 -2854.573346 0.5292 BFGS: 3722 17:55:07 -2854.207926 0.5289 BFGS: 3723 17:55:08 -2853.842607 0.5285 BFGS: 3724 17:55:08 -2853.477410 0.5281 BFGS: 3725 17:55:09 -2853.112377 0.5278 BFGS: 3726 17:55:09 -2852.747512 0.5274 BFGS: 3727 17:55:09 -2852.382747 0.5270 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BFGS: 3778 17:55:29 -2833.947786 0.5074 BFGS: 3779 17:55:30 -2833.589613 0.5070 BFGS: 3780 17:55:30 -2833.231570 0.5066 BFGS: 3781 17:55:30 -2832.873685 0.5062 BFGS: 3782 17:55:30 -2832.515903 0.5058 BFGS: 3783 17:55:31 -2832.158222 0.5053 BFGS: 3784 17:55:31 -2831.800673 0.5049 BFGS: 3785 17:55:32 -2831.443274 0.5045 BFGS: 3786 17:55:32 -2831.086025 0.5041 BFGS: 3787 17:55:32 -2830.728893 0.5037 BFGS: 3788 17:55:33 -2830.371898 0.5032 BFGS: 3789 17:55:33 -2830.015024 0.5028 BFGS: 3790 17:55:34 -2829.658284 0.5024 BFGS: 3791 17:55:34 -2829.301649 0.5020 BFGS: 3792 17:55:35 -2828.945104 0.5015 BFGS: 3793 17:55:35 -2828.588738 0.5011 BFGS: 3794 17:55:36 -2828.232505 0.5007 BFGS: 3795 17:55:36 -2827.876410 0.5002 BFGS: 3796 17:55:37 -2827.520412 0.4998 BFGS: 3797 17:55:38 -2827.164544 0.4994 BFGS: 3798 17:55:38 -2826.808834 0.4989 BFGS: 3799 17:55:38 -2826.454133 0.4985 BFGS: 3800 17:55:39 -2826.098665 0.4981 BFGS: 3801 17:55:39 -2825.743332 0.4976 BFGS: 3802 17:55:40 -2825.388122 0.4972 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BFGS: 4028 17:57:14 -2800.586681 0.1467 BFGS: 4029 17:57:14 -2800.907910 0.1467 BFGS: 4030 17:57:15 -2801.229242 0.1467 BFGS: 4031 17:57:15 -2801.550673 0.1467 BFGS: 4032 17:57:16 -2801.872195 0.1466 BFGS: 4033 17:57:17 -2802.193838 0.1465 BFGS: 4034 17:57:17 -2802.515616 0.1464 BFGS: 4035 17:57:18 -2802.837504 0.1463 BFGS: 4036 17:57:18 -2803.159124 0.1462 BFGS: 4037 17:57:19 -2803.481173 0.1460 BFGS: 4038 17:57:19 -2803.803323 0.1458 BFGS: 4039 17:57:20 -2804.125604 0.1456 BFGS: 4040 17:57:20 -2804.447956 0.1454 BFGS: 4041 17:57:21 -2804.770398 0.1452 BFGS: 4042 17:57:21 -2805.092962 0.1449 BFGS: 4043 17:57:22 -2805.415614 0.1447 BFGS: 4044 17:57:22 -2805.738331 0.1444 BFGS: 4045 17:57:22 -2806.061154 0.1441 BFGS: 4046 17:57:23 -2806.384092 0.1437 BFGS: 4047 17:57:23 -2806.707137 0.1434 BFGS: 4048 17:57:24 -2807.030273 0.1430 BFGS: 4049 17:57:24 -2807.353480 0.1427 BFGS: 4050 17:57:25 -2807.676750 0.1423 BFGS: 4051 17:57:25 -2808.000130 0.1419 BFGS: 4052 17:57:26 -2808.323623 0.1415 BFGS: 4053 17:57:26 -2808.647190 0.1410 BFGS: 4054 17:57:27 -2808.970860 0.1406 BFGS: 4055 17:57:27 -2809.294614 0.1401 BFGS: 4056 17:57:28 -2809.618432 0.1397 BFGS: 4057 17:57:28 -2809.942347 0.1392 BFGS: 4058 17:57:28 -2810.265664 0.1387 BFGS: 4059 17:57:29 -2810.589777 0.1382 BFGS: 4060 17:57:29 -2810.913965 0.1376 BFGS: 4061 17:57:30 -2811.238230 0.1371 BFGS: 4062 17:57:30 -2811.562581 0.1365 BFGS: 4063 17:57:31 -2811.886977 0.1360 BFGS: 4064 17:57:31 -2812.211465 0.1354 BFGS: 4065 17:57:31 -2812.536051 0.1348 BFGS: 4066 17:57:32 -2812.860736 0.1342 BFGS: 4067 17:57:32 -2813.185491 0.1336 BFGS: 4068 17:57:33 -2813.510286 0.1330 BFGS: 4069 17:57:33 -2813.835171 0.1323 BFGS: 4070 17:57:33 -2814.160153 0.1317 BFGS: 4071 17:57:34 -2814.485195 0.1310 BFGS: 4072 17:57:34 -2814.810301 0.1303 BFGS: 4073 17:57:34 -2815.135483 0.1297 BFGS: 4074 17:57:35 -2815.460746 0.1290 BFGS: 4075 17:57:35 -2815.786099 0.1283 BFGS: 4076 17:57:36 -2816.111510 0.1276 BFGS: 4077 17:57:36 -2816.436987 0.1268 BFGS: 4078 17:57:37 -2816.762539 0.1261 BFGS: 4079 17:57:37 -2817.088142 0.1254 BFGS: 4080 17:57:38 -2817.413832 0.1246 BFGS: 4081 17:57:38 -2817.739582 0.1238 BFGS: 4082 17:57:38 -2818.065385 0.1231 BFGS: 4083 17:57:39 -2818.391293 0.1223 BFGS: 4084 17:57:39 -2818.717241 0.1215 BFGS: 4085 17:57:39 -2819.043240 0.1207 BFGS: 4086 17:57:40 -2819.369312 0.1199 BFGS: 4087 17:57:40 -2819.695475 0.1191 BFGS: 4088 17:57:41 -2820.021676 0.1182 BFGS: 4089 17:57:41 -2820.347942 0.1174 BFGS: 4090 17:57:42 -2820.674265 0.1165 BFGS: 4091 17:57:42 -2821.000636 0.1157 BFGS: 4092 17:57:43 -2821.327067 0.1148 BFGS: 4093 17:57:43 -2821.653577 0.1139 BFGS: 4094 17:57:44 -2821.980137 0.1131 BFGS: 4095 17:57:44 -2822.306730 0.1122 BFGS: 4096 17:57:45 -2822.633418 0.1113 BFGS: 4097 17:57:45 -2822.960130 0.1104 BFGS: 4098 17:57:46 -2823.286906 0.1094 BFGS: 4099 17:57:46 -2823.613739 0.1085 BFGS: 4100 17:57:47 -2823.940628 0.1076 BFGS: 4101 17:57:47 -2824.267551 0.1066 BFGS: 4102 17:57:48 -2824.594531 0.1057 BFGS: 4103 17:57:48 -2824.921575 0.1047 BFGS: 4104 17:57:49 -2825.248654 0.1038 BFGS: 4105 17:57:49 -2825.575789 0.1028 BFGS: 4106 17:57:49 -2825.902944 0.1018 BFGS: 4107 17:57:50 -2826.230142 0.1008 BFGS: 4108 17:57:50 -2826.557419 0.0998 BFGS: 4109 17:57:50 -2826.884765 0.0988 BFGS: 4110 17:57:51 -2827.212137 0.0978 BFGS: 4111 17:57:51 -2827.539539 0.0968 BFGS: 4112 17:57:51 -2827.866954 0.0958 BFGS: 4113 17:57:52 -2828.194394 0.0947 BFGS: 4114 17:57:52 -2828.521904 0.0937 BFGS: 4115 17:57:52 -2828.849502 0.0927 BFGS: 4116 17:57:53 -2829.177130 0.0916 BFGS: 4117 17:57:53 -2829.504766 0.0905 BFGS: 4118 17:57:53 -2829.832448 0.0895 BFGS: 4119 17:57:53 -2830.160144 0.0884 BFGS: 4120 17:57:54 -2830.487870 0.0873 BFGS: 4121 17:57:54 -2830.815659 0.0862 BFGS: 4122 17:57:54 -2831.143442 0.0851 BFGS: 4123 17:57:54 -2831.471281 0.0840 BFGS: 4124 17:57:55 -2831.799182 0.0829 BFGS: 4125 17:57:55 -2832.127109 0.0818 BFGS: 4126 17:57:55 -2832.455056 0.0807 BFGS: 4127 17:57:56 -2832.782973 0.0795 BFGS: 4128 17:57:56 -2833.110938 0.0784 BFGS: 4129 17:57:56 -2833.438923 0.0773 BFGS: 4130 17:57:57 -2833.766950 0.0761 BFGS: 4131 17:57:57 -2834.095019 0.0750 BFGS: 4132 17:57:58 -2834.423099 0.0738 BFGS: 4133 17:57:58 -2834.751217 0.0726 BFGS: 4134 17:57:59 -2835.079333 0.0715 BFGS: 4135 17:57:59 -2835.407447 0.0703 BFGS: 4136 17:58:00 -2835.735596 0.0691 BFGS: 4137 17:58:01 -2835.996942 0.0929 BFGS: 4138 17:58:01 -2835.921015 0.0649 BFGS: 4139 17:58:01 -2835.948303 0.0644 BFGS: 4140 17:58:02 -2836.026348 0.0680 BFGS: 4141 17:58:03 -2836.120845 0.0912 BFGS: 4142 17:58:03 -2836.162838 0.0425 BFGS: 4143 17:58:04 -2836.270520 0.0515 BFGS: 4144 17:58:04 -2836.282183 0.0433 BFGS: 4145 17:58:05 -2836.404408 0.0431 BFGS: 4146 17:58:05 -2836.573143 0.0429 BFGS: 4147 17:58:06 -2836.773267 0.0427 BFGS: 4148 17:58:06 -2836.846104 0.0953 BFGS: 4149 17:58:07 -2836.823667 0.0426 BFGS: 4150 17:58:07 -2836.845303 0.0425 BFGS: 4151 17:58:08 -2837.023009 0.0949 BFGS: 4152 17:58:08 -2836.912640 0.0949 BFGS: 4153 17:58:09 -2836.704451 0.0427 BFGS: 4154 17:58:09 -2836.864277 0.0423 BFGS: 4155 17:58:10 -2837.077246 0.0949 BFGS: 4156 17:58:10 -2837.003049 0.0420 BFGS: 4157 17:58:11 -2837.059401 0.0419 BFGS: 4158 17:58:11 -2837.322837 0.0414 BFGS: 4159 17:58:12 -2837.585635 0.0409 BFGS: 4160 17:58:12 -2837.847986 0.0404 BFGS: 4161 17:58:13 -2838.045054 0.0957 BFGS: 4162 17:58:13 -2837.958862 0.0405 BFGS: 4163 17:58:14 -2837.998828 0.0405 BFGS: 4164 17:58:14 -2838.239037 0.0407 BFGS: 4165 17:58:15 -2838.481508 0.0409 BFGS: 4166 17:58:15 -2838.726098 0.0411 BFGS: 4167 17:58:16 -2838.971820 0.0413 BFGS: 4168 17:58:16 -2839.219694 0.0423 BFGS: 4169 17:58:17 -2839.468724 0.0453 BFGS: 4170 17:58:17 -2839.718681 0.0474 BFGS: 4171 17:58:18 -2839.969387 0.0488 BFGS: 4172 17:58:18 -2840.220808 0.0496 BFGS: 4173 17:58:19 -2840.472824 0.0501 BFGS: 4174 17:58:19 -2840.725276 0.0503 BFGS: 4175 17:58:19 -2840.978191 0.0502 BFGS: 4176 17:58:20 -2841.231560 0.0508 BFGS: 4177 17:58:20 -2841.485294 0.0524 BFGS: 4178 17:58:21 -2841.739385 0.0539 BFGS: 4179 17:58:21 -2841.993792 0.0552 BFGS: 4180 17:58:22 -2842.248499 0.0564 BFGS: 4181 17:58:22 -2842.503468 0.0574 BFGS: 4182 17:58:23 -2842.758743 0.0583 BFGS: 4183 17:58:23 -2843.014267 0.0591 BFGS: 4184 17:58:23 -2843.270031 0.0598 BFGS: 4185 17:58:24 -2843.526006 0.0604 BFGS: 4186 17:58:24 -2843.782200 0.0609 BFGS: 4187 17:58:25 -2844.038638 0.0614 BFGS: 4188 17:58:25 -2844.295261 0.0618 BFGS: 4189 17:58:26 -2844.552063 0.0622 BFGS: 4190 17:58:26 -2844.809026 0.0624 BFGS: 4191 17:58:26 -2845.066177 0.0627 BFGS: 4192 17:58:26 -2845.323524 0.0629 BFGS: 4193 17:58:27 -2845.581007 0.0630 BFGS: 4194 17:58:27 -2845.838643 0.0631 BFGS: 4195 17:58:27 -2846.096397 0.0632 BFGS: 4196 17:58:28 -2846.354280 0.0632 BFGS: 4197 17:58:28 -2846.612307 0.0632 BFGS: 4198 17:58:28 -2846.870474 0.0631 BFGS: 4199 17:58:29 -2847.128758 0.0630 BFGS: 4200 17:58:29 -2847.387140 0.0629 BFGS: 4201 17:58:29 -2847.645628 0.0627 BFGS: 4202 17:58:30 -2847.904214 0.0625 BFGS: 4203 17:58:30 -2848.162913 0.0623 BFGS: 4204 17:58:30 -2848.421696 0.0620 BFGS: 4205 17:58:31 -2848.679884 0.0617 BFGS: 4206 17:58:31 -2848.938790 0.0614 BFGS: 4207 17:58:32 -2849.197764 0.0610 BFGS: 4208 17:58:32 -2849.456781 0.0606 BFGS: 4209 17:58:33 -2849.715853 0.0602 BFGS: 4210 17:58:33 -2849.974964 0.0597 BFGS: 4211 17:58:34 -2850.234109 0.0592 BFGS: 4212 17:58:34 -2850.493320 0.0587 BFGS: 4213 17:58:35 -2850.752567 0.0581 BFGS: 4214 17:58:35 -2851.011824 0.0576 BFGS: 4215 17:58:36 -2851.271041 0.0570 BFGS: 4216 17:58:36 -2851.530289 0.0563 BFGS: 4217 17:58:37 -2851.789499 0.0557 BFGS: 4218 17:58:37 -2852.048711 0.0556 BFGS: 4219 17:58:37 -2852.307929 0.0559 BFGS: 4220 17:58:38 -2852.567116 0.0563 BFGS: 4221 17:58:38 -2852.826222 0.0566 BFGS: 4222 17:58:39 -2853.085269 0.0570 BFGS: 4223 17:58:39 -2853.344255 0.0573 BFGS: 4224 17:58:39 -2853.603172 0.0577 BFGS: 4225 17:58:40 -2853.862006 0.0580 BFGS: 4226 17:58:40 -2854.120753 0.0584 BFGS: 4227 17:58:41 -2854.379395 0.0588 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BFGS: 5578 18:07:10 -2850.162224 0.0964 BFGS: 5579 18:07:10 -2849.960115 0.0319 BFGS: 5580 18:07:10 -2850.007525 0.0319 BFGS: 5581 18:07:10 -2850.112138 0.0647 BFGS: 5582 18:07:11 -2850.025132 0.0646 BFGS: 5583 18:07:11 -2849.873311 0.0321 BFGS: 5584 18:07:11 -2849.925291 0.0320 BFGS: 5585 18:07:11 -2850.011120 0.0645 BFGS: 5586 18:07:12 -2849.938574 0.0645 BFGS: 5587 18:07:12 -2849.805969 0.0322 BFGS: 5588 18:07:12 -2849.853721 0.0322 BFGS: 5589 18:07:12 -2849.925714 0.0644 BFGS: 5590 18:07:13 -2849.863655 0.0643 BFGS: 5591 18:07:13 -2849.744546 0.0323 BFGS: 5592 18:07:13 -2849.767347 0.0642 BFGS: 5593 18:07:13 -2849.760372 0.0323 BFGS: 5594 18:07:14 -2849.747205 0.0641 BFGS: 5595 18:07:14 -2849.743060 0.0641 BFGS: 5596 18:07:14 -2849.727320 0.0639 BFGS: 5597 18:07:14 -2849.710370 0.0638 BFGS: 5598 18:07:15 -2849.692105 0.0636 BFGS: 5599 18:07:15 -2849.672451 0.0634 BFGS: 5600 18:07:15 -2849.651290 0.0633 BFGS: 5601 18:07:16 -2849.628494 0.0631 BFGS: 5602 18:07:16 -2849.603927 0.0629 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BFGS: 5978 18:09:18 -2848.050911 0.0609 BFGS: 5979 18:09:18 -2848.044533 0.0607 BFGS: 5980 18:09:18 -2848.034221 0.0606 BFGS: 5981 18:09:19 -2848.018966 0.0604 BFGS: 5982 18:09:19 -2847.997473 0.0603 BFGS: 5983 18:09:19 -2847.967685 0.0601 BFGS: 5984 18:09:19 -2847.928004 0.0598 BFGS: 5985 18:09:20 -2847.867825 0.0596 BFGS: 5986 18:09:20 -2847.775921 0.0593 BFGS: 5987 18:09:20 -2847.623493 0.0589 BFGS: 5988 18:09:20 -2847.403869 0.0584 BFGS: 5989 18:09:21 -2847.031248 0.0578 BFGS: 5990 18:09:21 -2846.894306 0.0577 BFGS: 5991 18:09:21 -2846.798884 0.0576 BFGS: 5992 18:09:21 -2846.720091 0.0576 BFGS: 5993 18:09:21 -2846.650243 0.0576 BFGS: 5994 18:09:22 -2846.585960 0.0576 BFGS: 5995 18:09:22 -2846.525434 0.0576 BFGS: 5996 18:09:22 -2846.467565 0.0576 BFGS: 5997 18:09:22 -2846.411648 0.0576 BFGS: 5998 18:09:22 -2846.358887 0.0577 BFGS: 5999 18:09:23 -2846.326223 0.0382 BFGS: 6000 18:09:23 -2846.335274 0.0380 BFGS: 6001 18:09:23 -2846.346484 0.0379 BFGS: 6002 18:09:23 -2846.360178 0.0378 BFGS: 6003 18:09:24 -2846.376743 0.0376 BFGS: 6004 18:09:24 -2846.396763 0.0375 BFGS: 6005 18:09:24 -2846.420895 0.0373 BFGS: 6006 18:09:24 -2846.450143 0.0371 BFGS: 6007 18:09:24 -2846.486010 0.0370 BFGS: 6008 18:09:25 -2846.530774 0.0368 BFGS: 6009 18:09:25 -2846.588525 0.0365 BFGS: 6010 18:09:25 -2846.667748 0.0363 BFGS: 6011 18:09:25 -2846.791159 0.0359 BFGS: 6012 18:09:25 -2846.985128 0.0355 BFGS: 6013 18:09:26 -2847.204884 0.0352 BFGS: 6014 18:09:26 -2847.298584 0.0352 BFGS: 6015 18:09:26 -2847.367530 0.0352 BFGS: 6016 18:09:26 -2847.426528 0.0352 BFGS: 6017 18:09:26 -2847.480142 0.0352 BFGS: 6018 18:09:27 -2847.530435 0.0352 BFGS: 6019 18:09:27 -2847.578537 0.0353 BFGS: 6020 18:09:27 -2847.625174 0.0353 BFGS: 6021 18:09:27 -2847.670847 0.0354 BFGS: 6022 18:09:27 -2847.715901 0.0354 BFGS: 6023 18:09:27 -2847.759438 0.0354 BFGS: 6024 18:09:27 -2847.803868 0.0355 BFGS: 6025 18:09:28 -2847.848283 0.0355 BFGS: 6026 18:09:28 -2847.870886 0.0606 BFGS: 6027 18:09:28 -2847.863319 0.0604 BFGS: 6028 18:09:28 -2847.851154 0.0603 BFGS: 6029 18:09:28 -2847.833124 0.0601 BFGS: 6030 18:09:28 -2847.807203 0.0600 BFGS: 6031 18:09:28 -2847.771646 0.0597 BFGS: 6032 18:09:28 -2847.715422 0.0595 BFGS: 6033 18:09:29 -2847.624923 0.0592 BFGS: 6034 18:09:29 -2847.465509 0.0588 BFGS: 6035 18:09:29 -2847.208459 0.0583 BFGS: 6036 18:09:30 -2847.019268 0.0580 BFGS: 6037 18:09:30 -2846.913044 0.0579 BFGS: 6038 18:09:30 -2846.831280 0.0579 BFGS: 6039 18:09:30 -2846.760997 0.0579 BFGS: 6040 18:09:31 -2846.697376 0.0579 BFGS: 6041 18:09:31 -2846.638075 0.0579 BFGS: 6042 18:09:31 -2846.581777 0.0579 BFGS: 6043 18:09:32 -2846.529369 0.0579 BFGS: 6044 18:09:32 -2846.497553 0.0379 BFGS: 6045 18:09:32 -2846.509122 0.0378 BFGS: 6046 18:09:32 -2846.523403 0.0376 BFGS: 6047 18:09:33 -2846.540873 0.0375 BFGS: 6048 18:09:33 -2846.562211 0.0373 BFGS: 6049 18:09:33 -2846.588401 0.0372 BFGS: 6050 18:09:33 -2846.620812 0.0370 BFGS: 6051 18:09:34 -2846.661684 0.0368 BFGS: 6052 18:09:34 -2846.715106 0.0366 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BFGS: 6103 18:09:47 -2847.667187 0.0358 BFGS: 6104 18:09:48 -2847.686795 0.0603 BFGS: 6105 18:09:48 -2847.676815 0.0601 BFGS: 6106 18:09:48 -2847.660985 0.0600 BFGS: 6107 18:09:49 -2847.638763 0.0598 BFGS: 6108 18:09:49 -2847.601615 0.0596 BFGS: 6109 18:09:49 -2847.542504 0.0593 BFGS: 6110 18:09:50 -2847.432877 0.0590 BFGS: 6111 18:09:50 -2847.228889 0.0585 BFGS: 6112 18:09:50 -2847.007900 0.0582 BFGS: 6113 18:09:50 -2846.910938 0.0581 BFGS: 6114 18:09:51 -2846.839147 0.0581 BFGS: 6115 18:09:51 -2846.777962 0.0581 BFGS: 6116 18:09:51 -2846.722613 0.0581 BFGS: 6117 18:09:52 -2846.670919 0.0582 BFGS: 6118 18:09:52 -2846.644296 0.0377 BFGS: 6119 18:09:52 -2846.655710 0.0376 BFGS: 6120 18:09:52 -2846.670055 0.0374 BFGS: 6121 18:09:53 -2846.687994 0.0373 BFGS: 6122 18:09:53 -2846.710507 0.0371 BFGS: 6123 18:09:53 -2846.739006 0.0369 BFGS: 6124 18:09:54 -2846.775875 0.0368 BFGS: 6125 18:09:54 -2846.825814 0.0366 BFGS: 6126 18:09:54 -2846.899868 0.0363 BFGS: 6127 18:09:54 -2847.042090 0.0359 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BFGS: 6153 18:10:02 -2846.671081 0.0375 BFGS: 6154 18:10:02 -2846.678892 0.0374 BFGS: 6155 18:10:03 -2846.689333 0.0372 BFGS: 6156 18:10:03 -2846.703074 0.0371 BFGS: 6157 18:10:03 -2846.721027 0.0369 BFGS: 6158 18:10:04 -2846.744656 0.0368 BFGS: 6159 18:10:04 -2846.776653 0.0366 BFGS: 6160 18:10:05 -2846.822522 0.0364 BFGS: 6161 18:10:05 -2846.898153 0.0361 BFGS: 6162 18:10:06 -2847.048743 0.0357 BFGS: 6163 18:10:06 -2847.150256 0.0357 BFGS: 6164 18:10:06 -2847.210405 0.0357 BFGS: 6165 18:10:07 -2847.259791 0.0357 BFGS: 6166 18:10:07 -2847.304236 0.0357 BFGS: 6167 18:10:07 -2847.345918 0.0358 BFGS: 6168 18:10:07 -2847.385925 0.0358 BFGS: 6169 18:10:08 -2847.424891 0.0359 BFGS: 6170 18:10:08 -2847.463230 0.0359 BFGS: 6171 18:10:08 -2847.500084 0.0360 BFGS: 6172 18:10:08 -2847.537988 0.0361 BFGS: 6173 18:10:09 -2847.553935 0.0600 BFGS: 6174 18:10:09 -2847.543841 0.0598 BFGS: 6175 18:10:09 -2847.528149 0.0596 BFGS: 6176 18:10:10 -2847.498358 0.0594 BFGS: 6177 18:10:10 -2847.446189 0.0592 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BFGS: 6928 18:12:38 -2847.085214 0.0369 BFGS: 6929 18:12:38 -2847.199329 0.0367 BFGS: 6930 18:12:38 -2847.475827 0.0598 BFGS: 6931 18:12:38 -2847.312667 0.0366 BFGS: 6932 18:12:39 -2847.361259 0.0596 BFGS: 6933 18:12:39 -2847.339270 0.0365 BFGS: 6934 18:12:39 -2847.355749 0.0365 BFGS: 6935 18:12:39 -2847.630983 0.0601 BFGS: 6936 18:12:39 -2847.446387 0.0597 BFGS: 6937 18:12:39 -2847.170793 0.0368 BFGS: 6938 18:12:39 -2847.283951 0.0366 BFGS: 6939 18:12:40 -2847.559349 0.0599 BFGS: 6940 18:12:40 -2847.375033 0.0596 BFGS: 6941 18:12:40 -2847.099167 0.0369 BFGS: 6942 18:12:40 -2847.212811 0.0367 BFGS: 6943 18:12:40 -2847.488284 0.0598 BFGS: 6944 18:12:40 -2847.325702 0.0365 BFGS: 6945 18:12:40 -2847.374043 0.0596 BFGS: 6946 18:12:41 -2847.352198 0.0365 BFGS: 6947 18:12:41 -2847.368612 0.0365 BFGS: 6948 18:12:41 -2847.642904 0.0601 BFGS: 6949 18:12:41 -2847.458842 0.0598 BFGS: 6950 18:12:41 -2847.184208 0.0368 BFGS: 6951 18:12:41 -2847.296941 0.0366 BFGS: 6952 18:12:41 -2847.571404 0.0600 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BFGS: 7303 18:13:33 -2847.345825 0.0365 BFGS: 7304 18:13:33 -2847.454352 0.0363 BFGS: 7305 18:13:33 -2847.720230 0.0603 BFGS: 7306 18:13:33 -2847.540955 0.0599 BFGS: 7307 18:13:33 -2847.274770 0.0366 BFGS: 7308 18:13:34 -2847.383853 0.0364 BFGS: 7309 18:13:34 -2847.649985 0.0601 BFGS: 7310 18:13:34 -2847.492338 0.0363 BFGS: 7311 18:13:34 -2847.538269 0.0599 BFGS: 7312 18:13:34 -2847.517722 0.0362 BFGS: 7313 18:13:34 -2847.512112 0.0599 BFGS: 7314 18:13:34 -2847.523680 0.0362 BFGS: 7315 18:13:35 -2847.527392 0.0362 BFGS: 7316 18:13:35 -2847.794035 0.0604 BFGS: 7317 18:13:35 -2847.613902 0.0601 BFGS: 7318 18:13:35 -2847.347070 0.0365 BFGS: 7319 18:13:35 -2847.456009 0.0363 BFGS: 7320 18:13:35 -2847.723006 0.0603 BFGS: 7321 18:13:35 -2847.543026 0.0599 BFGS: 7322 18:13:36 -2847.275740 0.0366 BFGS: 7323 18:13:36 -2847.385229 0.0364 BFGS: 7324 18:13:36 -2847.652462 0.0601 BFGS: 7325 18:13:36 -2847.494117 0.0363 BFGS: 7326 18:13:36 -2847.540300 0.0599 BFGS: 7327 18:13:36 -2847.519598 0.0362 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BFGS: 7853 18:14:46 -2847.440257 0.0363 BFGS: 7854 18:14:46 -2847.775497 0.0603 BFGS: 7855 18:14:46 -2847.552907 0.0599 BFGS: 7856 18:14:46 -2847.217885 0.0366 BFGS: 7857 18:14:47 -2847.353069 0.0364 BFGS: 7858 18:14:47 -2847.688125 0.0602 BFGS: 7859 18:14:47 -2847.487531 0.0363 BFGS: 7860 18:14:47 -2847.549595 0.0599 BFGS: 7861 18:14:47 -2847.518991 0.0362 BFGS: 7862 18:14:47 -2847.517166 0.0599 BFGS: 7863 18:14:47 -2847.526374 0.0362 BFGS: 7864 18:14:47 -2847.509559 0.0599 BFGS: 7865 18:14:48 -2847.528107 0.0362 BFGS: 7866 18:14:48 -2847.507772 0.0599 BFGS: 7867 18:14:48 -2847.528513 0.0362 BFGS: 7868 18:14:48 -2847.507352 0.0599 BFGS: 7869 18:14:48 -2847.507193 0.0599 BFGS: 7870 18:14:48 -2847.155406 0.0367 BFGS: 7871 18:14:48 -2847.297272 0.0365 BFGS: 7872 18:14:48 -2847.649174 0.0601 BFGS: 7873 18:14:49 -2847.438371 0.0363 BFGS: 7874 18:14:49 -2847.525845 0.0362 BFGS: 7875 18:14:49 -2847.878224 0.0605 BFGS: 7876 18:14:49 -2847.644416 0.0601 BFGS: 7877 18:14:49 -2847.292132 0.0365 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BFGS: 7903 18:14:53 -2847.516819 0.0362 BFGS: 7904 18:14:53 -2847.515742 0.0599 BFGS: 7905 18:14:53 -2847.524481 0.0362 BFGS: 7906 18:14:53 -2847.507841 0.0599 BFGS: 7907 18:14:53 -2847.526281 0.0362 BFGS: 7908 18:14:53 -2847.527404 0.0362 BFGS: 7909 18:14:53 -2847.874353 0.0604 BFGS: 7910 18:14:54 -2847.643946 0.0601 BFGS: 7911 18:14:54 -2847.297101 0.0365 BFGS: 7912 18:14:54 -2847.436302 0.0363 BFGS: 7913 18:14:54 -2847.783178 0.0603 BFGS: 7914 18:14:54 -2847.553316 0.0599 BFGS: 7915 18:14:54 -2847.206592 0.0366 BFGS: 7916 18:14:54 -2847.346254 0.0365 BFGS: 7917 18:14:54 -2847.693042 0.0602 BFGS: 7918 18:14:55 -2847.485153 0.0363 BFGS: 7919 18:14:55 -2847.549959 0.0599 BFGS: 7920 18:14:55 -2847.517649 0.0362 BFGS: 7921 18:14:55 -2847.516470 0.0599 BFGS: 7922 18:14:55 -2847.525273 0.0362 BFGS: 7923 18:14:55 -2847.508613 0.0599 BFGS: 7924 18:14:55 -2847.527065 0.0362 BFGS: 7925 18:14:55 -2847.506766 0.0599 BFGS: 7926 18:14:56 -2847.527485 0.0362 BFGS: 7927 18:14:56 -2847.506334 0.0599 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BFGS: 8028 18:15:10 -2847.523231 0.0362 BFGS: 8029 18:15:10 -2847.505420 0.0599 BFGS: 8030 18:15:10 -2847.524589 0.0362 BFGS: 8031 18:15:10 -2847.525435 0.0362 BFGS: 8032 18:15:10 -2847.776414 0.0603 BFGS: 8033 18:15:10 -2847.606222 0.0600 BFGS: 8034 18:15:11 -2847.354706 0.0364 BFGS: 8035 18:15:11 -2847.457784 0.0363 BFGS: 8036 18:15:11 -2847.709672 0.0602 BFGS: 8037 18:15:11 -2847.539177 0.0599 BFGS: 8038 18:15:11 -2847.286486 0.0365 BFGS: 8039 18:15:11 -2847.390285 0.0364 BFGS: 8040 18:15:12 -2847.642817 0.0601 BFGS: 8041 18:15:12 -2847.493604 0.0362 BFGS: 8042 18:15:12 -2847.536393 0.0599 BFGS: 8043 18:15:12 -2847.517801 0.0362 BFGS: 8044 18:15:12 -2847.511455 0.0599 BFGS: 8045 18:15:12 -2847.523479 0.0362 BFGS: 8046 18:15:12 -2847.505601 0.0599 BFGS: 8047 18:15:13 -2847.524814 0.0362 BFGS: 8048 18:15:13 -2847.525643 0.0362 BFGS: 8049 18:15:13 -2847.779833 0.0603 BFGS: 8050 18:15:13 -2847.607629 0.0600 BFGS: 8051 18:15:13 -2847.353215 0.0364 BFGS: 8052 18:15:13 -2847.457389 0.0363 BFGS: 8053 18:15:13 -2847.712022 0.0602 BFGS: 8054 18:15:14 -2847.539812 0.0599 BFGS: 8055 18:15:14 -2847.284813 0.0365 BFGS: 8056 18:15:14 -2847.389490 0.0364 BFGS: 8057 18:15:14 -2847.644413 0.0601 BFGS: 8058 18:15:14 -2847.493708 0.0362 BFGS: 8059 18:15:14 -2847.537055 0.0599 BFGS: 8060 18:15:14 -2847.518116 0.0362 BFGS: 8061 18:15:14 -2847.511903 0.0599 BFGS: 8062 18:15:15 -2847.523845 0.0362 BFGS: 8063 18:15:15 -2847.506001 0.0599 BFGS: 8064 18:15:15 -2847.525190 0.0362 BFGS: 8065 18:15:15 -2847.504614 0.0599 BFGS: 8066 18:15:15 -2847.525507 0.0362 BFGS: 8067 18:15:15 -2847.525703 0.0362 BFGS: 8068 18:15:15 -2847.770688 0.0602 BFGS: 8069 18:15:16 -2847.604247 0.0600 BFGS: 8070 18:15:16 -2847.358932 0.0364 BFGS: 8071 18:15:16 -2847.459665 0.0363 BFGS: 8072 18:15:16 -2847.705273 0.0602 BFGS: 8073 18:15:16 -2847.538695 0.0599 BFGS: 8074 18:15:16 -2847.292551 0.0365 BFGS: 8075 18:15:17 -2847.393858 0.0364 BFGS: 8076 18:15:17 -2847.639919 0.0601 BFGS: 8077 18:15:17 -2847.494729 0.0362 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BFGS: 8103 18:15:21 -2847.505600 0.0599 BFGS: 8104 18:15:21 -2847.525091 0.0362 BFGS: 8105 18:15:21 -2847.504400 0.0599 BFGS: 8106 18:15:21 -2847.525365 0.0362 BFGS: 8107 18:15:22 -2847.525536 0.0362 BFGS: 8108 18:15:22 -2847.730417 0.0602 BFGS: 8109 18:15:22 -2847.588433 0.0600 BFGS: 8110 18:15:22 -2847.383390 0.0364 BFGS: 8111 18:15:22 -2847.469366 0.0363 BFGS: 8112 18:15:22 -2847.674555 0.0601 BFGS: 8113 18:15:22 -2847.533040 0.0599 BFGS: 8114 18:15:22 -2847.327369 0.0365 BFGS: 8115 18:15:23 -2847.413991 0.0364 BFGS: 8116 18:15:23 -2847.619457 0.0601 BFGS: 8117 18:15:23 -2847.499647 0.0362 BFGS: 8118 18:15:23 -2847.531232 0.0599 BFGS: 8119 18:15:23 -2847.519615 0.0362 BFGS: 8120 18:15:23 -2847.510630 0.0599 BFGS: 8121 18:15:23 -2847.524299 0.0362 BFGS: 8122 18:15:23 -2847.505798 0.0599 BFGS: 8123 18:15:24 -2847.503982 0.0599 BFGS: 8124 18:15:24 -2847.296268 0.0365 BFGS: 8125 18:15:24 -2847.383800 0.0364 BFGS: 8126 18:15:24 -2847.591250 0.0600 BFGS: 8127 18:15:24 -2847.470388 0.0363 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BFGS: 8503 18:16:18 -2847.513366 0.0362 BFGS: 8504 18:16:18 -2847.505996 0.0599 BFGS: 8505 18:16:18 -2847.518660 0.0362 BFGS: 8506 18:16:18 -2847.500541 0.0599 BFGS: 8507 18:16:18 -2847.519903 0.0362 BFGS: 8508 18:16:18 -2847.520678 0.0362 BFGS: 8509 18:16:18 -2847.710881 0.0601 BFGS: 8510 18:16:19 -2847.578614 0.0600 BFGS: 8511 18:16:19 -2847.386812 0.0363 BFGS: 8512 18:16:19 -2847.467444 0.0363 BFGS: 8513 18:16:19 -2847.659975 0.0601 BFGS: 8514 18:16:19 -2847.526518 0.0599 BFGS: 8515 18:16:19 -2847.331509 0.0364 BFGS: 8516 18:16:20 -2847.413578 0.0363 BFGS: 8517 18:16:20 -2847.607732 0.0600 BFGS: 8518 18:16:20 -2847.494909 0.0362 BFGS: 8519 18:16:20 -2847.523998 0.0599 BFGS: 8520 18:16:20 -2847.513948 0.0362 BFGS: 8521 18:16:20 -2847.504388 0.0599 BFGS: 8522 18:16:20 -2847.518415 0.0362 BFGS: 8523 18:16:21 -2847.499788 0.0599 BFGS: 8524 18:16:21 -2847.498052 0.0599 BFGS: 8525 18:16:21 -2847.298249 0.0365 BFGS: 8526 18:16:21 -2847.382204 0.0364 BFGS: 8527 18:16:21 -2847.580919 0.0600 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BFGS: 8553 18:16:25 -2847.286192 0.0365 BFGS: 8554 18:16:25 -2847.386844 0.0364 BFGS: 8555 18:16:26 -2847.631338 0.0600 BFGS: 8556 18:16:26 -2847.487183 0.0363 BFGS: 8557 18:16:26 -2847.528077 0.0599 BFGS: 8558 18:16:26 -2847.510675 0.0362 BFGS: 8559 18:16:26 -2847.503885 0.0599 BFGS: 8560 18:16:26 -2847.516191 0.0362 BFGS: 8561 18:16:27 -2847.498206 0.0599 BFGS: 8562 18:16:27 -2847.517483 0.0362 BFGS: 8563 18:16:27 -2847.518288 0.0362 BFGS: 8564 18:16:27 -2847.774775 0.0603 BFGS: 8565 18:16:27 -2847.601137 0.0600 BFGS: 8566 18:16:27 -2847.345542 0.0364 BFGS: 8567 18:16:27 -2847.450217 0.0363 BFGS: 8568 18:16:28 -2847.705363 0.0602 BFGS: 8569 18:16:28 -2847.532859 0.0599 BFGS: 8570 18:16:28 -2847.279068 0.0365 BFGS: 8571 18:16:28 -2847.383348 0.0364 BFGS: 8572 18:16:28 -2847.637496 0.0601 BFGS: 8573 18:16:28 -2847.487308 0.0363 BFGS: 8574 18:16:29 -2847.530473 0.0599 BFGS: 8575 18:16:29 -2847.511657 0.0362 BFGS: 8576 18:16:29 -2847.505400 0.0599 BFGS: 8577 18:16:29 -2847.517371 0.0362 BFGS: 8578 18:16:29 -2847.499517 0.0599 BFGS: 8579 18:16:29 -2847.518716 0.0362 BFGS: 8580 18:16:30 -2847.519551 0.0362 BFGS: 8581 18:16:30 -2847.756544 0.0602 BFGS: 8582 18:16:30 -2847.595136 0.0600 BFGS: 8583 18:16:30 -2847.357707 0.0364 BFGS: 8584 18:16:30 -2847.455479 0.0363 BFGS: 8585 18:16:30 -2847.693124 0.0601 BFGS: 8586 18:16:30 -2847.531543 0.0599 BFGS: 8587 18:16:31 -2847.293373 0.0365 BFGS: 8588 18:16:31 -2847.391674 0.0364 BFGS: 8589 18:16:31 -2847.629752 0.0600 BFGS: 8590 18:16:31 -2847.489558 0.0362 BFGS: 8591 18:16:31 -2847.528970 0.0599 BFGS: 8592 18:16:31 -2847.512489 0.0362 BFGS: 8593 18:16:31 -2847.505354 0.0599 BFGS: 8594 18:16:32 -2847.517872 0.0362 BFGS: 8595 18:16:32 -2847.499811 0.0599 BFGS: 8596 18:16:32 -2847.519136 0.0362 BFGS: 8597 18:16:32 -2847.498510 0.0599 BFGS: 8598 18:16:32 -2847.519433 0.0362 BFGS: 8599 18:16:32 -2847.519619 0.0362 BFGS: 8600 18:16:32 -2847.751253 0.0602 BFGS: 8601 18:16:32 -2847.593178 0.0600 BFGS: 8602 18:16:33 -2847.360679 0.0364 BFGS: 8603 18:16:33 -2847.456600 0.0363 BFGS: 8604 18:16:33 -2847.689733 0.0601 BFGS: 8605 18:16:33 -2847.530962 0.0599 BFGS: 8606 18:16:33 -2847.296599 0.0365 BFGS: 8607 18:16:33 -2847.393474 0.0364 BFGS: 8608 18:16:34 -2847.627606 0.0600 BFGS: 8609 18:16:34 -2847.489871 0.0362 BFGS: 8610 18:16:34 -2847.528353 0.0599 BFGS: 8611 18:16:34 -2847.512450 0.0362 BFGS: 8612 18:16:34 -2847.505096 0.0599 BFGS: 8613 18:16:34 -2847.517749 0.0362 BFGS: 8614 18:16:34 -2847.499637 0.0599 BFGS: 8615 18:16:35 -2847.518993 0.0362 BFGS: 8616 18:16:35 -2847.498356 0.0599 BFGS: 8617 18:16:35 -2847.519287 0.0362 BFGS: 8618 18:16:35 -2847.498053 0.0599 BFGS: 8619 18:16:35 -2847.519356 0.0362 BFGS: 8620 18:16:35 -2847.497983 0.0599 BFGS: 8621 18:16:35 -2847.519370 0.0362 BFGS: 8622 18:16:35 -2847.519382 0.0362 BFGS: 8623 18:16:36 -2847.709355 0.0358 BFGS: 8624 18:16:36 -2847.905999 0.0353 BFGS: 8625 18:16:36 -2848.110838 0.0354 BFGS: 8626 18:16:36 -2848.331558 0.0452 BFGS: 8627 18:16:36 -2848.568430 0.0536 BFGS: 8628 18:16:36 -2848.823134 0.0607 BFGS: 8629 18:16:36 -2849.094336 0.0665 BFGS: 8630 18:16:36 -2849.378609 0.0712 BFGS: 8631 18:16:37 -2849.675269 0.0749 BFGS: 8632 18:16:37 -2849.982113 0.0780 BFGS: 8633 18:16:37 -2850.297744 0.0804 BFGS: 8634 18:16:37 -2850.621007 0.0824 BFGS: 8635 18:16:37 -2850.951002 0.0839 BFGS: 8636 18:16:37 -2851.263665 0.0844 BFGS: 8637 18:16:37 -2851.039925 0.0747 BFGS: 8638 18:16:38 -2850.808525 0.0664 BFGS: 8639 18:16:38 -2850.569689 0.0659 BFGS: 8640 18:16:38 -2850.323894 0.0653 BFGS: 8641 18:16:38 -2850.071546 0.0648 BFGS: 8642 18:16:38 -2849.813022 0.0643 BFGS: 8643 18:16:38 -2849.548767 0.0637 BFGS: 8644 18:16:38 -2849.279184 0.0632 BFGS: 8645 18:16:39 -2849.004617 0.0627 BFGS: 8646 18:16:39 -2848.725408 0.0621 BFGS: 8647 18:16:39 -2848.441887 0.0616 BFGS: 8648 18:16:39 -2848.155929 0.0610 BFGS: 8649 18:16:39 -2847.863476 0.0604 BFGS: 8650 18:16:39 -2847.567391 0.0599 BFGS: 8651 18:16:39 -2847.267975 0.0593 BFGS: 8652 18:16:40 -2846.965453 0.0588 BFGS: 8653 18:16:40 -2846.681091 0.0377 BFGS: 8654 18:16:40 -2846.807436 0.0375 BFGS: 8655 18:16:40 -2847.094224 0.0370 BFGS: 8656 18:16:40 -2847.361893 0.0596 BFGS: 8657 18:16:40 -2847.209430 0.0368 BFGS: 8658 18:16:40 -2847.277652 0.0366 BFGS: 8659 18:16:41 -2847.539970 0.0599 BFGS: 8660 18:16:41 -2847.366291 0.0596 BFGS: 8661 18:16:41 -2847.097331 0.0369 BFGS: 8662 18:16:41 -2847.212214 0.0367 BFGS: 8663 18:16:41 -2847.474884 0.0598 BFGS: 8664 18:16:41 -2847.322890 0.0366 BFGS: 8665 18:16:41 -2847.389622 0.0364 BFGS: 8666 18:16:41 -2847.652125 0.0601 BFGS: 8667 18:16:42 -2847.497024 0.0363 BFGS: 8668 18:16:42 -2847.541666 0.0599 BFGS: 8669 18:16:42 -2847.500500 0.0599 BFGS: 8670 18:16:42 -2847.232568 0.0367 BFGS: 8671 18:16:42 -2847.344368 0.0365 BFGS: 8672 18:16:42 -2847.610554 0.0601 BFGS: 8673 18:16:42 -2847.453690 0.0363 BFGS: 8674 18:16:43 -2847.520778 0.0362 BFGS: 8675 18:16:43 -2847.790249 0.0604 BFGS: 8676 18:16:43 -2847.607201 0.0601 BFGS: 8677 18:16:43 -2847.336675 0.0365 BFGS: 8678 18:16:43 -2847.447654 0.0363 BFGS: 8679 18:16:43 -2847.718910 0.0603 BFGS: 8680 18:16:43 -2847.535874 0.0599 BFGS: 8681 18:16:43 -2847.262798 0.0366 BFGS: 8682 18:16:44 -2847.375680 0.0364 BFGS: 8683 18:16:44 -2847.648193 0.0601 BFGS: 8684 18:16:44 -2847.486752 0.0363 BFGS: 8685 18:16:44 -2847.533834 0.0599 BFGS: 8686 18:16:44 -2847.512558 0.0362 BFGS: 8687 18:16:44 -2847.528613 0.0362 BFGS: 8688 18:16:45 -2847.806902 0.0604 BFGS: 8689 18:16:45 -2847.618516 0.0601 BFGS: 8690 18:16:45 -2847.339522 0.0365 BFGS: 8691 18:16:45 -2847.453425 0.0363 BFGS: 8692 18:16:45 -2847.733313 0.0603 BFGS: 8693 18:16:45 -2847.544884 0.0599 BFGS: 8694 18:16:45 -2847.263616 0.0366 BFGS: 8695 18:16:46 -2847.379203 0.0364 BFGS: 8696 18:16:46 -2847.660214 0.0602 BFGS: 8697 18:16:46 -2847.493342 0.0363 BFGS: 8698 18:16:46 -2847.542477 0.0599 BFGS: 8699 18:16:46 -2847.519906 0.0362 BFGS: 8700 18:16:46 -2847.536445 0.0362 BFGS: 8701 18:16:46 -2847.823086 0.0604 BFGS: 8702 18:16:46 -2847.629634 0.0601 BFGS: 8703 18:16:47 -2847.342514 0.0365 BFGS: 8704 18:16:47 -2847.459302 0.0363 BFGS: 8705 18:16:47 -2847.747309 0.0603 BFGS: 8706 18:16:47 -2847.553831 0.0600 BFGS: 8707 18:16:47 -2847.264769 0.0366 BFGS: 8708 18:16:47 -2847.383026 0.0364 BFGS: 8709 18:16:47 -2847.671998 0.0602 BFGS: 8710 18:16:47 -2847.500076 0.0362 BFGS: 8711 18:16:48 -2847.551130 0.0600 BFGS: 8712 18:16:48 -2847.527354 0.0362 BFGS: 8713 18:16:48 -2847.522921 0.0599 BFGS: 8714 18:16:48 -2847.533745 0.0362 BFGS: 8715 18:16:48 -2847.516312 0.0599 BFGS: 8716 18:16:48 -2847.513826 0.0599 BFGS: 8717 18:16:48 -2847.227505 0.0367 BFGS: 8718 18:16:49 -2847.345274 0.0365 BFGS: 8719 18:16:49 -2847.631046 0.0601 BFGS: 8720 18:16:49 -2847.461548 0.0363 BFGS: 8721 18:16:49 -2847.533334 0.0362 BFGS: 8722 18:16:49 -2847.821254 0.0604 BFGS: 8723 18:16:49 -2847.627012 0.0601 BFGS: 8724 18:16:49 -2847.338674 0.0365 BFGS: 8725 18:16:50 -2847.455961 0.0363 BFGS: 8726 18:16:50 -2847.745029 0.0603 BFGS: 8727 18:16:50 -2847.550905 0.0599 BFGS: 8728 18:16:50 -2847.260929 0.0366 BFGS: 8729 18:16:50 -2847.379584 0.0364 BFGS: 8730 18:16:50 -2847.669468 0.0602 BFGS: 8731 18:16:50 -2847.497006 0.0362 BFGS: 8732 18:16:51 -2847.548273 0.0599 BFGS: 8733 18:16:51 -2847.524368 0.0362 BFGS: 8734 18:16:51 -2847.519987 0.0599 BFGS: 8735 18:16:51 -2847.530778 0.0362 BFGS: 8736 18:16:51 -2847.534776 0.0362 BFGS: 8737 18:16:51 -2847.834889 0.0604 BFGS: 8738 18:16:51 -2847.633341 0.0601 BFGS: 8739 18:16:52 -2847.332911 0.0365 BFGS: 8740 18:16:52 -2847.454630 0.0363 BFGS: 8741 18:16:52 -2847.755713 0.0603 BFGS: 8742 18:16:52 -2847.554214 0.0600 BFGS: 8743 18:16:52 -2847.252420 0.0366 BFGS: 8744 18:16:52 -2847.375265 0.0364 BFGS: 8745 18:16:53 -2847.677038 0.0602 BFGS: 8746 18:16:53 -2847.497143 0.0362 BFGS: 8747 18:16:53 -2847.551282 0.0599 BFGS: 8748 18:16:53 -2847.525597 0.0362 BFGS: 8749 18:16:53 -2847.521896 0.0599 BFGS: 8750 18:16:53 -2847.532266 0.0362 BFGS: 8751 18:16:53 -2847.515004 0.0599 BFGS: 8752 18:16:53 -2847.512414 0.0599 BFGS: 8753 18:16:54 -2847.212892 0.0367 BFGS: 8754 18:16:54 -2847.335297 0.0365 BFGS: 8755 18:16:54 -2847.634467 0.0601 BFGS: 8756 18:16:54 -2847.456542 0.0363 BFGS: 8757 18:16:54 -2847.531555 0.0362 BFGS: 8758 18:16:54 -2847.832266 0.0604 BFGS: 8759 18:16:54 -2847.630345 0.0601 BFGS: 8760 18:16:55 -2847.329358 0.0365 BFGS: 8761 18:16:55 -2847.451325 0.0363 BFGS: 8762 18:16:55 -2847.752868 0.0603 BFGS: 8763 18:16:55 -2847.551101 0.0599 BFGS: 8764 18:16:55 -2847.248935 0.0366 BFGS: 8765 18:16:55 -2847.371968 0.0364 BFGS: 8766 18:16:56 -2847.674097 0.0602 BFGS: 8767 18:16:56 -2847.494010 0.0362 BFGS: 8768 18:16:56 -2847.548233 0.0599 BFGS: 8769 18:16:56 -2847.522499 0.0362 BFGS: 8770 18:16:56 -2847.518818 0.0599 BFGS: 8771 18:16:56 -2847.529177 0.0362 BFGS: 8772 18:16:56 -2847.533341 0.0362 BFGS: 8773 18:16:56 -2847.842898 0.0604 BFGS: 8774 18:16:57 -2847.635616 0.0601 BFGS: 8775 18:16:57 -2847.325842 0.0365 BFGS: 8776 18:16:57 -2847.451052 0.0363 BFGS: 8777 18:16:57 -2847.761331 0.0603 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BFGS: 8828 18:17:04 -2847.313084 0.0365 BFGS: 8829 18:17:04 -2847.641488 0.0601 BFGS: 8830 18:17:04 -2847.445281 0.0363 BFGS: 8831 18:17:05 -2847.527247 0.0362 BFGS: 8832 18:17:05 -2847.856467 0.0604 BFGS: 8833 18:17:05 -2847.637129 0.0601 BFGS: 8834 18:17:05 -2847.307890 0.0365 BFGS: 8835 18:17:05 -2847.440434 0.0363 BFGS: 8836 18:17:05 -2847.770007 0.0603 BFGS: 8837 18:17:05 -2847.550937 0.0599 BFGS: 8838 18:17:06 -2847.221193 0.0366 BFGS: 8839 18:17:06 -2847.354416 0.0365 BFGS: 8840 18:17:06 -2847.684232 0.0602 BFGS: 8841 18:17:06 -2847.486912 0.0363 BFGS: 8842 18:17:06 -2847.547737 0.0599 BFGS: 8843 18:17:06 -2847.517906 0.0362 BFGS: 8844 18:17:06 -2847.515789 0.0599 BFGS: 8845 18:17:06 -2847.525175 0.0362 BFGS: 8846 18:17:07 -2847.508292 0.0599 BFGS: 8847 18:17:07 -2847.526884 0.0362 BFGS: 8848 18:17:07 -2847.527949 0.0362 BFGS: 8849 18:17:07 -2847.871068 0.0605 BFGS: 8850 18:17:07 -2847.643054 0.0601 BFGS: 8851 18:17:07 -2847.299653 0.0571 BFGS: 8852 18:17:07 -2846.929174 0.0371 BFGS: 8853 18:17:08 -2847.074309 0.0368 BFGS: 8854 18:17:08 -2847.438969 0.0363 BFGS: 8855 18:17:08 -2847.782301 0.0603 BFGS: 8856 18:17:08 -2847.554636 0.0600 BFGS: 8857 18:17:08 -2847.211986 0.0366 BFGS: 8858 18:17:08 -2847.350092 0.0364 BFGS: 8859 18:17:08 -2847.693790 0.0602 BFGS: 8860 18:17:09 -2847.487813 0.0362 BFGS: 8861 18:17:09 -2847.551887 0.0599 BFGS: 8862 18:17:09 -2847.520033 0.0362 BFGS: 8863 18:17:09 -2847.540093 0.0362 BFGS: 8864 18:17:09 -2847.888020 0.0605 BFGS: 8865 18:17:09 -2847.656914 0.0601 BFGS: 8866 18:17:09 -2847.309713 0.0365 BFGS: 8867 18:17:10 -2847.448977 0.0363 BFGS: 8868 18:17:10 -2847.796784 0.0603 BFGS: 8869 18:17:10 -2847.566260 0.0600 BFGS: 8870 18:17:10 -2847.219202 0.0366 BFGS: 8871 18:17:10 -2847.358930 0.0364 BFGS: 8872 18:17:10 -2847.706599 0.0602 BFGS: 8873 18:17:10 -2847.498091 0.0362 BFGS: 8874 18:17:11 -2847.563077 0.0600 BFGS: 8875 18:17:11 -2847.530636 0.0362 BFGS: 8876 18:17:11 -2847.529497 0.0599 BFGS: 8877 18:17:11 -2847.516855 0.0599 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BFGS: 9028 18:17:32 -2848.462297 0.0344 BFGS: 9029 18:17:32 -2848.713056 0.0339 BFGS: 9030 18:17:32 -2848.969662 0.0335 BFGS: 9031 18:17:33 -2849.231799 0.0330 BFGS: 9032 18:17:33 -2849.499164 0.0325 BFGS: 9033 18:17:33 -2849.771533 0.0321 BFGS: 9034 18:17:33 -2850.048699 0.0316 BFGS: 9035 18:17:33 -2850.330411 0.0311 BFGS: 9036 18:17:33 -2850.616467 0.0306 BFGS: 9037 18:17:34 -2850.905568 0.0301 BFGS: 9038 18:17:34 -2851.198787 0.0296 BFGS: 9039 18:17:34 -2851.496447 0.0291 BFGS: 9040 18:17:34 -2851.797788 0.0287 BFGS: 9041 18:17:34 -2852.080452 0.0688 BFGS: 9042 18:17:34 -2851.865933 0.0683 BFGS: 9043 18:17:34 -2851.632305 0.0678 BFGS: 9044 18:17:35 -2851.394917 0.0673 BFGS: 9045 18:17:35 -2851.153534 0.0668 BFGS: 9046 18:17:35 -2850.909054 0.0663 BFGS: 9047 18:17:35 -2850.659734 0.0658 BFGS: 9048 18:17:35 -2850.406635 0.0653 BFGS: 9049 18:17:35 -2850.149890 0.0648 BFGS: 9050 18:17:35 -2849.889608 0.0643 BFGS: 9051 18:17:35 -2849.625942 0.0638 BFGS: 9052 18:17:36 -2849.359044 0.0632 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BFGS: 9803 18:19:29 -2847.755815 0.0603 BFGS: 9804 18:19:30 -2847.561060 0.0361 BFGS: 9805 18:19:30 -2847.620824 0.0601 BFGS: 9806 18:19:30 -2847.591644 0.0361 BFGS: 9807 18:19:30 -2847.610681 0.0361 BFGS: 9808 18:19:30 -2847.940876 0.0606 BFGS: 9809 18:19:30 -2847.720540 0.0602 BFGS: 9810 18:19:31 -2847.390604 0.0364 BFGS: 9811 18:19:31 -2847.523504 0.0362 BFGS: 9812 18:19:31 -2847.854241 0.0605 BFGS: 9813 18:19:31 -2847.634231 0.0601 BFGS: 9814 18:19:31 -2847.303541 0.0365 BFGS: 9815 18:19:31 -2847.437383 0.0363 BFGS: 9816 18:19:32 -2847.768516 0.0603 BFGS: 9817 18:19:32 -2847.570333 0.0361 BFGS: 9818 18:19:32 -2847.631325 0.0601 BFGS: 9819 18:19:32 -2847.601364 0.0361 BFGS: 9820 18:19:32 -2847.599265 0.0600 BFGS: 9821 18:19:32 -2847.608634 0.0361 BFGS: 9822 18:19:33 -2847.613166 0.0361 BFGS: 9823 18:19:33 -2847.957176 0.0606 BFGS: 9824 18:19:33 -2847.727944 0.0602 BFGS: 9825 18:19:33 -2847.384219 0.0364 BFGS: 9826 18:19:33 -2847.522615 0.0362 BFGS: 9827 18:19:33 -2847.866920 0.0605 BFGS: 9828 18:19:34 -2847.638394 0.0601 BFGS: 9829 18:19:34 -2847.294272 0.0365 BFGS: 9830 18:19:34 -2847.433677 0.0363 BFGS: 9831 18:19:34 -2847.778200 0.0603 BFGS: 9832 18:19:34 -2847.571810 0.0361 BFGS: 9833 18:19:34 -2847.635853 0.0601 BFGS: 9834 18:19:34 -2847.604007 0.0361 BFGS: 9835 18:19:35 -2847.602618 0.0600 BFGS: 9836 18:19:35 -2847.590127 0.0600 BFGS: 9837 18:19:35 -2847.247261 0.0366 BFGS: 9838 18:19:35 -2847.386413 0.0364 BFGS: 9839 18:19:35 -2847.729510 0.0602 BFGS: 9840 18:19:35 -2847.524344 0.0362 BFGS: 9841 18:19:36 -2847.588166 0.0600 BFGS: 9842 18:19:36 -2847.556534 0.0361 BFGS: 9843 18:19:36 -2847.576539 0.0361 BFGS: 9844 18:19:36 -2847.921496 0.0606 BFGS: 9845 18:19:36 -2847.691911 0.0602 BFGS: 9846 18:19:36 -2847.347092 0.0365 BFGS: 9847 18:19:36 -2847.486038 0.0362 BFGS: 9848 18:19:37 -2847.831220 0.0604 BFGS: 9849 18:19:37 -2847.602344 0.0600 BFGS: 9850 18:19:37 -2847.257194 0.0366 BFGS: 9851 18:19:37 -2847.397088 0.0364 BFGS: 9852 18:19:37 -2847.742419 0.0603 BFGS: 9853 18:19:37 -2847.535696 0.0362 BFGS: 9854 18:19:37 -2847.599989 0.0600 BFGS: 9855 18:19:38 -2847.568028 0.0361 BFGS: 9856 18:19:38 -2847.588129 0.0361 BFGS: 9857 18:19:38 -2847.935055 0.0606 BFGS: 9858 18:19:38 -2847.704044 0.0602 BFGS: 9859 18:19:38 -2847.357233 0.0364 BFGS: 9860 18:19:38 -2847.496768 0.0362 BFGS: 9861 18:19:38 -2847.843899 0.0604 BFGS: 9862 18:19:39 -2847.613632 0.0601 BFGS: 9863 18:19:39 -2847.266513 0.0366 BFGS: 9864 18:19:39 -2847.407009 0.0364 BFGS: 9865 18:19:39 -2847.754284 0.0603 BFGS: 9866 18:19:39 -2847.546188 0.0362 BFGS: 9867 18:19:39 -2847.610895 0.0601 BFGS: 9868 18:19:39 -2847.578636 0.0361 BFGS: 9869 18:19:40 -2847.598829 0.0361 BFGS: 9870 18:19:40 -2847.947605 0.0606 BFGS: 9871 18:19:40 -2847.715283 0.0602 BFGS: 9872 18:19:40 -2847.366603 0.0364 BFGS: 9873 18:19:40 -2847.506684 0.0362 BFGS: 9874 18:19:41 -2847.855672 0.0605 BFGS: 9875 18:19:41 -2847.624094 0.0601 BFGS: 9876 18:19:41 -2847.275108 0.0366 BFGS: 9877 18:19:41 -2847.416161 0.0364 BFGS: 9878 18:19:41 -2847.765294 0.0603 BFGS: 9879 18:19:41 -2847.555895 0.0361 BFGS: 9880 18:19:41 -2847.621003 0.0601 BFGS: 9881 18:19:42 -2847.588460 0.0361 BFGS: 9882 18:19:42 -2847.587320 0.0600 BFGS: 9883 18:19:42 -2847.596089 0.0361 BFGS: 9884 18:19:42 -2847.600846 0.0361 BFGS: 9885 18:19:42 -2847.951867 0.0606 BFGS: 9886 18:19:42 -2847.718021 0.0602 BFGS: 9887 18:19:42 -2847.367056 0.0364 BFGS: 9888 18:19:43 -2847.507999 0.0362 BFGS: 9889 18:19:43 -2847.858446 0.0605 BFGS: 9890 18:19:43 -2847.625891 0.0601 BFGS: 9891 18:19:43 -2847.275723 0.0366 BFGS: 9892 18:19:43 -2847.417260 0.0363 BFGS: 9893 18:19:43 -2847.767286 0.0603 BFGS: 9894 18:19:43 -2847.557305 0.0361 BFGS: 9895 18:19:44 -2847.622597 0.0601 BFGS: 9896 18:19:44 -2847.589932 0.0361 BFGS: 9897 18:19:44 -2847.588832 0.0600 BFGS: 9898 18:19:44 -2847.597572 0.0361 BFGS: 9899 18:19:44 -2847.580922 0.0600 BFGS: 9900 18:19:44 -2847.599367 0.0361 BFGS: 9901 18:19:44 -2847.579064 0.0600 BFGS: 9902 18:19:45 -2847.599785 0.0361 BFGS: 9903 18:19:45 -2847.600049 0.0361 BFGS: 9904 18:19:45 -2847.838797 0.0604 BFGS: 9905 18:19:45 -2847.674629 0.0602 BFGS: 9906 18:19:45 -2847.435889 0.0363 BFGS: 9907 18:19:45 -2847.535214 0.0362 BFGS: 9908 18:19:46 -2847.773568 0.0603 BFGS: 9909 18:19:46 -2847.610956 0.0601 BFGS: 9910 18:19:46 -2847.372728 0.0364 BFGS: 9911 18:19:46 -2847.473061 0.0363 BFGS: 9912 18:19:46 -2847.711148 0.0602 BFGS: 9913 18:19:46 -2847.571321 0.0361 BFGS: 9914 18:19:46 -2847.610201 0.0601 BFGS: 9915 18:19:47 -2847.594046 0.0361 BFGS: 9916 18:19:47 -2847.586748 0.0600 BFGS: 9917 18:19:47 -2847.599363 0.0361 BFGS: 9918 18:19:47 -2847.581258 0.0600 BFGS: 9919 18:19:47 -2847.579195 0.0600 BFGS: 9920 18:19:47 -2847.335777 0.0365 BFGS: 9921 18:19:47 -2847.438419 0.0363 BFGS: 9922 18:19:47 -2847.681810 0.0602 BFGS: 9923 18:19:48 -2847.539150 0.0362 BFGS: 9924 18:19:48 -2847.579426 0.0600 BFGS: 9925 18:19:48 -2847.562523 0.0361 BFGS: 9926 18:19:48 -2847.576995 0.0361 BFGS: 9927 18:19:48 -2847.818592 0.0604 BFGS: 9928 18:19:49 -2847.653117 0.0601 BFGS: 9929 18:19:49 -2847.411524 0.0364 BFGS: 9930 18:19:49 -2847.512029 0.0362 BFGS: 9931 18:19:49 -2847.753339 0.0603 BFGS: 9932 18:19:49 -2847.589194 0.0600 BFGS: 9933 18:19:50 -2847.348024 0.0364 BFGS: 9934 18:19:50 -2847.449443 0.0363 BFGS: 9935 18:19:50 -2847.690542 0.0602 BFGS: 9936 18:19:50 -2847.549022 0.0362 BFGS: 9937 18:19:50 -2847.588727 0.0600 BFGS: 9938 18:19:51 -2847.572113 0.0361 BFGS: 9939 18:19:51 -2847.586443 0.0361 BFGS: 9940 18:19:51 -2847.825704 0.0604 BFGS: 9941 18:19:51 -2847.661543 0.0601 BFGS: 9942 18:19:52 -2847.422256 0.0363 BFGS: 9943 18:19:52 -2847.521597 0.0362 BFGS: 9944 18:19:52 -2847.760580 0.0603 BFGS: 9945 18:19:52 -2847.597695 0.0600 BFGS: 9946 18:19:53 -2847.358815 0.0364 BFGS: 9947 18:19:53 -2847.459036 0.0363 BFGS: 9948 18:19:53 -2847.697810 0.0602 BFGS: 9949 18:19:53 -2847.557503 0.0361 BFGS: 9950 18:19:54 -2847.596647 0.0600 BFGS: 9951 18:19:54 -2847.580335 0.0361 BFGS: 9952 18:19:54 -2847.594523 0.0361 BFGS: 9953 18:19:54 -2847.831328 0.0604 BFGS: 9954 18:19:55 -2847.668628 0.0601 BFGS: 9955 18:19:55 -2847.431786 0.0363 BFGS: 9956 18:19:55 -2847.529955 0.0362 BFGS: 9957 18:19:55 -2847.766467 0.0603 BFGS: 9958 18:19:56 -2847.604997 0.0600 BFGS: 9959 18:19:56 -2847.368561 0.0364 BFGS: 9960 18:19:56 -2847.467556 0.0363 BFGS: 9961 18:19:56 -2847.703854 0.0602 BFGS: 9962 18:19:56 -2847.564906 0.0361 BFGS: 9963 18:19:57 -2847.603470 0.0600 BFGS: 9964 18:19:57 -2847.587483 0.0361 BFGS: 9965 18:19:57 -2847.580112 0.0600 BFGS: 9966 18:19:57 -2847.592765 0.0361 BFGS: 9967 18:19:58 -2847.596059 0.0361 BFGS: 9968 18:19:58 -2847.825277 0.0604 BFGS: 9969 18:19:58 -2847.667435 0.0601 BFGS: 9970 18:19:58 -2847.438179 0.0363 BFGS: 9971 18:19:58 -2847.533333 0.0362 BFGS: 9972 18:19:59 -2847.762253 0.0603 BFGS: 9973 18:19:59 -2847.605533 0.0600 BFGS: 9974 18:19:59 -2847.376688 0.0364 BFGS: 9975 18:19:59 -2847.472569 0.0363 BFGS: 9976 18:19:59 -2847.701266 0.0602 BFGS: 9977 18:19:59 -2847.566973 0.0361 BFGS: 9978 18:20:00 -2847.603795 0.0600 BFGS: 9979 18:20:00 -2847.588883 0.0361 BFGS: 9980 18:20:00 -2847.581106 0.0600 BFGS: 9981 18:20:00 -2847.594012 0.0361 BFGS: 9982 18:20:00 -2847.575794 0.0600 BFGS: 9983 18:20:00 -2847.595213 0.0361 BFGS: 9984 18:20:00 -2847.574548 0.0600 BFGS: 9985 18:20:01 -2847.595494 0.0361 BFGS: 9986 18:20:01 -2847.595672 0.0361 BFGS: 9987 18:20:01 -2847.741318 0.0602 BFGS: 9988 18:20:01 -2847.636407 0.0601 BFGS: 9989 18:20:01 -2847.490730 0.0362 BFGS: 9990 18:20:01 -2847.554002 0.0361 BFGS: 9991 18:20:01 -2847.699451 0.0602 BFGS: 9992 18:20:02 -2847.595102 0.0600 BFGS: 9993 18:20:02 -2847.449734 0.0363 BFGS: 9994 18:20:02 -2847.513314 0.0362 BFGS: 9995 18:20:02 -2847.658603 0.0601 BFGS: 9996 18:20:02 -2847.576186 0.0361 BFGS: 9997 18:20:02 -2847.593678 0.0600 BFGS: 9998 18:20:02 -2847.590824 0.0361 BFGS: 9999 18:20:03 -2847.578529 0.0600 BFGS: 10000 18:20:03 -2847.594254 0.0361 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.00011703834841627604 eV/Angstrom Maximum stress component: 0.00041742133314920783 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', '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 4.24371101e-30 0.00000000e+00] [0.00000000e+00 1.00000000e+00 5.00000000e-01] [6.66666667e-01 3.33333333e-01 3.33333333e-01] [6.66666667e-01 3.33333333e-01 8.33333333e-01] [3.33333333e-01 6.66666667e-01 6.66666667e-01] [3.33333333e-01 6.66666667e-01 1.66666667e-01] [0.00000000e+00 1.00000000e+00 5.62899551e-01] [1.00000000e+00 1.00000000e+00 9.37100449e-01] [6.66666667e-01 3.33333333e-01 8.96232884e-01] [6.66666667e-01 3.33333333e-01 2.70433782e-01] [3.33333333e-01 6.66666667e-01 2.29566218e-01] [3.33333333e-01 6.66666667e-01 6.03767116e-01] [0.00000000e+00 6.56747544e-17 4.37100449e-01] [0.00000000e+00 0.00000000e+00 6.28995512e-02] [6.66666667e-01 3.33333333e-01 7.70433782e-01] [6.66666667e-01 3.33333333e-01 3.96232884e-01] [3.33333333e-01 6.66666667e-01 1.03767116e-01] [3.33333333e-01 6.66666667e-01 7.29566218e-01] [0.00000000e+00 1.00000000e+00 6.04589852e-01] [1.00000000e+00 1.00000000e+00 8.95410148e-01] [6.66666667e-01 3.33333333e-01 9.37923185e-01] [6.66666667e-01 3.33333333e-01 2.28743482e-01] [3.33333333e-01 6.66666667e-01 2.71256518e-01] [3.33333333e-01 6.66666667e-01 5.62076815e-01] [0.00000000e+00 7.22129278e-17 3.95410148e-01] [0.00000000e+00 0.00000000e+00 1.04589852e-01] [6.66666667e-01 3.33333333e-01 7.28743482e-01] [6.66666667e-01 3.33333333e-01 4.37923185e-01] [3.33333333e-01 6.66666667e-01 6.20768149e-02] [3.33333333e-01 6.66666667e-01 7.71256518e-01] [8.22814367e-01 0.00000000e+00 2.50000000e-01] [1.00000000e+00 8.22814367e-01 2.50000000e-01] [1.77185633e-01 1.77185633e-01 2.50000000e-01] [4.89481034e-01 3.33333333e-01 5.83333333e-01] [6.66666667e-01 1.56147701e-01 5.83333333e-01] [8.43852299e-01 5.10518966e-01 5.83333333e-01] [1.56147701e-01 6.66666667e-01 9.16666667e-01] [3.33333333e-01 4.89481034e-01 9.16666667e-01] [5.10518966e-01 8.43852299e-01 9.16666667e-01] [1.77185633e-01 1.00000000e+00 7.50000000e-01] [1.00000000e+00 1.77185633e-01 7.50000000e-01] [8.22814367e-01 8.22814367e-01 7.50000000e-01] [8.43852299e-01 3.33333333e-01 8.33333333e-02] [6.66666667e-01 5.10518966e-01 8.33333333e-02] [4.89481034e-01 1.56147701e-01 8.33333333e-02] [5.10518966e-01 6.66666667e-01 4.16666667e-01] [3.33333333e-01 8.43852299e-01 4.16666667e-01] [1.56147701e-01 4.89481034e-01 4.16666667e-01] [6.64883577e-01 6.70759552e-01 3.27447581e-01] [3.29240448e-01 9.94124025e-01 3.27447581e-01] [5.87597482e-03 3.35116423e-01 3.27447581e-01] [6.70759552e-01 6.64883577e-01 1.72552419e-01] [9.94124025e-01 3.29240448e-01 1.72552419e-01] [3.35116423e-01 5.87597482e-03 1.72552419e-01] [3.31550243e-01 4.09288496e-03 6.60780915e-01] [9.95907115e-01 3.27457359e-01 6.60780915e-01] [6.72542641e-01 6.68449757e-01 6.60780915e-01] [3.37426218e-01 9.98216910e-01 5.05885752e-01] [6.60790692e-01 6.62573782e-01 5.05885752e-01] [1.78308986e-03 3.39209308e-01 5.05885752e-01] [9.98216910e-01 3.37426218e-01 9.94114248e-01] [6.62573782e-01 6.60790692e-01 9.94114248e-01] [3.39209308e-01 1.78308986e-03 9.94114248e-01] [4.09288496e-03 3.31550243e-01 8.39219085e-01] [3.27457359e-01 9.95907115e-01 8.39219085e-01] [6.68449757e-01 6.72542641e-01 8.39219085e-01] [3.35116423e-01 3.29240448e-01 6.72552419e-01] [6.70759552e-01 5.87597482e-03 6.72552419e-01] [9.94124025e-01 6.64883577e-01 6.72552419e-01] [3.29240448e-01 3.35116423e-01 8.27447581e-01] [5.87597482e-03 6.70759552e-01 8.27447581e-01] [6.64883577e-01 9.94124025e-01 8.27447581e-01] [1.78308986e-03 6.62573782e-01 5.88575206e-03] [3.37426218e-01 3.39209308e-01 5.88575206e-03] [6.60790692e-01 9.98216910e-01 5.88575206e-03] [9.95907115e-01 6.68449757e-01 1.60780915e-01] 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142.04472337174303]]) forces = [[ 6.04952098e-32 1.52408403e-31 -6.22519606e-30] [-2.63979097e-31 1.52408403e-31 -2.33444852e-30] [-2.63979097e-31 -1.52408403e-31 6.22519606e-30] [-4.39965162e-32 7.62042014e-32 6.22519606e-30] [-5.11594892e-46 -9.22533412e-48 -6.22519606e-30] [-1.27898723e-46 -2.30633353e-48 -1.55629901e-30] [-6.86117161e-22 -7.20518732e-24 -8.31289302e-06] [ 6.77997631e-22 1.10406704e-23 8.31289302e-06] [-6.80212048e-22 -1.74331421e-23 -8.31289302e-06] [ 6.93498551e-22 9.76217602e-24 8.31289302e-06] [-6.77259492e-22 -2.25471195e-23 -8.31289302e-06] [ 6.70616241e-22 1.35976591e-23 8.31289302e-06] [ 6.62496711e-22 7.20518732e-24 8.31289302e-06] [-6.93498551e-22 -3.02180856e-23 -8.31289302e-06] [ 6.68401823e-22 -3.02276746e-24 8.31289302e-06] [-6.89807856e-22 -1.10406704e-23 -8.31289302e-06] [ 6.89069717e-22 2.09120993e-24 8.31289302e-06] [-6.91284134e-22 -1.35976591e-23 -8.31289302e-06] [ 1.73422780e-21 5.17283698e-23 2.11024548e-05] [-1.72832269e-21 -5.88595889e-25 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3.41594975e-22 1.13802722e-23 4.22845539e-06] [ 3.29784750e-22 1.64942496e-23 4.22845539e-06] [-3.17974526e-22 -3.18361818e-23 -4.22845539e-06] [ 3.41594975e-22 1.64942496e-23 4.22845539e-06] [-3.29784750e-22 -6.26629482e-24 -4.22845539e-06] [ 3.23879638e-22 2.67222044e-23 4.22845539e-06] [-3.06164301e-22 -3.18361818e-23 -4.22845539e-06] [-1.68079335e-05 9.67768856e-23 -1.52635756e-21] [ 8.40396677e-06 -1.45560974e-05 8.63266060e-22] [ 8.40396677e-06 1.45560974e-05 6.43508725e-22] [-1.68079335e-05 7.63209761e-23 -1.52309376e-21] [ 8.40396677e-06 -1.45560974e-05 8.64489983e-22] [ 8.40396677e-06 1.45560974e-05 6.45140623e-22] [-1.68079335e-05 9.67768856e-23 -1.52309376e-21] [ 8.40396677e-06 -1.45560974e-05 8.62042137e-22] [ 8.40396677e-06 1.45560974e-05 6.45140623e-22] [ 1.68079335e-05 -7.63209761e-23 1.51656617e-21] [-8.40396677e-06 1.45560974e-05 -8.64489983e-22] [-8.40396677e-06 -1.45560974e-05 -6.43508725e-22] [ 1.68079335e-05 -7.63209761e-23 1.51330238e-21] [-8.40396677e-06 1.45560974e-05 -8.63266060e-22] [-8.40396677e-06 -1.45560974e-05 -6.45140623e-22] [ 1.68079335e-05 -7.63209761e-23 1.51656617e-21] [-8.40396677e-06 1.45560974e-05 -8.62042137e-22] [-8.40396677e-06 -1.45560974e-05 -6.45140623e-22] [ 2.79281059e-06 3.00934884e-05 -1.11520286e-04] [-2.74581307e-05 -1.26280993e-05 -1.11520286e-04] [ 2.46653201e-05 -1.74653891e-05 -1.11520286e-04] [ 2.46653201e-05 1.74653891e-05 1.11520286e-04] [ 2.79281059e-06 -3.00934884e-05 1.11520286e-04] [-2.74581307e-05 1.26280993e-05 1.11520286e-04] [ 2.79281059e-06 3.00934884e-05 -1.11520286e-04] [-2.74581307e-05 -1.26280993e-05 -1.11520286e-04] [ 2.46653201e-05 -1.74653891e-05 -1.11520286e-04] [ 2.46653201e-05 1.74653891e-05 1.11520286e-04] [ 2.79281059e-06 -3.00934884e-05 1.11520286e-04] [-2.74581307e-05 1.26280993e-05 1.11520286e-04] [ 2.79281059e-06 3.00934884e-05 -1.11520286e-04] [-2.74581307e-05 -1.26280993e-05 -1.11520286e-04] [ 2.46653201e-05 -1.74653891e-05 -1.11520286e-04] [ 2.46653201e-05 1.74653891e-05 1.11520286e-04] [ 2.79281059e-06 -3.00934884e-05 1.11520286e-04] [-2.74581307e-05 1.26280993e-05 1.11520286e-04] [-2.79281059e-06 -3.00934884e-05 1.11520286e-04] [ 2.74581307e-05 1.26280993e-05 1.11520286e-04] [-2.46653201e-05 1.74653891e-05 1.11520286e-04] [-2.46653201e-05 -1.74653891e-05 -1.11520286e-04] [-2.79281059e-06 3.00934884e-05 -1.11520286e-04] [ 2.74581307e-05 -1.26280993e-05 -1.11520286e-04] [-2.79281059e-06 -3.00934884e-05 1.11520286e-04] [ 2.74581307e-05 1.26280993e-05 1.11520286e-04] [-2.46653201e-05 1.74653891e-05 1.11520286e-04] [-2.46653201e-05 -1.74653891e-05 -1.11520286e-04] [-2.79281059e-06 3.00934884e-05 -1.11520286e-04] [ 2.74581307e-05 -1.26280993e-05 -1.11520286e-04] [-2.79281059e-06 -3.00934884e-05 1.11520286e-04] [ 2.74581307e-05 1.26280993e-05 1.11520286e-04] [-2.46653201e-05 1.74653891e-05 1.11520286e-04] [-2.46653201e-05 -1.74653891e-05 -1.11520286e-04] [-2.79281059e-06 3.00934884e-05 -1.11520286e-04] [ 2.74581307e-05 -1.26280993e-05 -1.11520286e-04] [ 1.34658495e-05 -3.30164473e-06 -5.93232372e-06] [-3.87361653e-06 1.33125901e-05 -5.93232372e-06] [-9.59223295e-06 -1.00109454e-05 -5.93232372e-06] [-9.59223295e-06 1.00109454e-05 5.93232372e-06] [ 1.34658495e-05 3.30164473e-06 5.93232372e-06] [-3.87361653e-06 -1.33125901e-05 5.93232372e-06] [ 1.34658495e-05 -3.30164473e-06 -5.93232372e-06] [-3.87361653e-06 1.33125901e-05 -5.93232372e-06] [-9.59223295e-06 -1.00109454e-05 -5.93232372e-06] [-9.59223295e-06 1.00109454e-05 5.93232372e-06] [ 1.34658495e-05 3.30164473e-06 5.93232372e-06] [-3.87361653e-06 -1.33125901e-05 5.93232372e-06] [ 1.34658495e-05 -3.30164473e-06 -5.93232372e-06] [-3.87361653e-06 1.33125901e-05 -5.93232372e-06] [-9.59223295e-06 -1.00109454e-05 -5.93232372e-06] [-9.59223295e-06 1.00109454e-05 5.93232372e-06] [ 1.34658495e-05 3.30164473e-06 5.93232372e-06] [-3.87361653e-06 -1.33125901e-05 5.93232372e-06] [-1.34658495e-05 3.30164473e-06 5.93232372e-06] [ 3.87361653e-06 -1.33125901e-05 5.93232372e-06] [ 9.59223295e-06 1.00109454e-05 5.93232372e-06] [ 9.59223295e-06 -1.00109454e-05 -5.93232372e-06] [-1.34658495e-05 -3.30164473e-06 -5.93232372e-06] [ 3.87361653e-06 1.33125901e-05 -5.93232372e-06] [-1.34658495e-05 3.30164473e-06 5.93232372e-06] [ 3.87361653e-06 -1.33125901e-05 5.93232372e-06] [ 9.59223295e-06 1.00109454e-05 5.93232372e-06] [ 9.59223295e-06 -1.00109454e-05 -5.93232372e-06] [-1.34658495e-05 -3.30164473e-06 -5.93232372e-06] [ 3.87361653e-06 1.33125901e-05 -5.93232372e-06] [-1.34658495e-05 3.30164473e-06 5.93232372e-06] [ 3.87361653e-06 -1.33125901e-05 5.93232372e-06] [ 9.59223295e-06 1.00109454e-05 5.93232372e-06] [ 9.59223295e-06 -1.00109454e-05 -5.93232372e-06] [-1.34658495e-05 -3.30164473e-06 -5.93232372e-06] [ 3.87361653e-06 1.33125901e-05 -5.93232372e-06]] stress = [ 4.17421333e-04 4.17421333e-04 4.15817307e-04 -1.04133471e-18 1.73598493e-18 1.03273080e-19] energy per atom = -14.381789160822231 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0