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_BroughtonMeliVashishta_1997_SiO__SM_422553794879_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 16:49:06 310.126148 4.2642 BFGS: 1 16:49:06 309.242446 4.2504 BFGS: 2 16:49:06 308.380152 4.2369 BFGS: 3 16:49:06 307.536860 4.2237 BFGS: 4 16:49:06 306.710536 4.2111 BFGS: 5 16:49:07 305.899296 4.1993 BFGS: 6 16:49:07 305.101620 4.1876 BFGS: 7 16:49:07 304.316304 4.1761 BFGS: 8 16:49:07 303.542290 4.1648 BFGS: 9 16:49:08 302.778543 4.1536 BFGS: 10 16:49:08 302.024232 4.1426 BFGS: 11 16:49:08 301.278594 4.1317 BFGS: 12 16:49:08 300.541009 4.1209 BFGS: 13 16:49:09 299.810902 4.1102 BFGS: 14 16:49:09 299.087783 4.0997 BFGS: 15 16:49:09 298.371196 4.0894 BFGS: 16 16:49:09 297.660697 4.0793 BFGS: 17 16:49:10 296.955932 4.0692 BFGS: 18 16:49:10 296.256598 4.0592 BFGS: 19 16:49:10 295.562403 4.0492 BFGS: 20 16:49:10 294.873038 4.0393 BFGS: 21 16:49:10 294.188259 4.0297 BFGS: 22 16:49:10 293.507835 4.0203 BFGS: 23 16:49:11 292.831580 4.0109 BFGS: 24 16:49:11 292.159319 4.0016 BFGS: 25 16:49:11 291.490893 3.9923 BFGS: 26 16:49:11 290.826127 3.9833 BFGS: 27 16:49:11 290.164805 3.9744 BFGS: 28 16:49:11 289.506788 3.9656 BFGS: 29 16:49:12 288.851962 3.9570 BFGS: 30 16:49:12 288.200237 3.9484 BFGS: 31 16:49:12 287.551517 3.9399 BFGS: 32 16:49:12 286.905696 3.9317 BFGS: 33 16:49:13 286.262677 3.9236 BFGS: 34 16:49:13 285.622385 3.9155 BFGS: 35 16:49:13 284.984744 3.9075 BFGS: 36 16:49:13 284.349685 3.8996 BFGS: 37 16:49:13 283.717142 3.8916 BFGS: 38 16:49:13 283.087046 3.8839 BFGS: 39 16:49:13 282.459337 3.8764 BFGS: 40 16:49:14 281.833965 3.8688 BFGS: 41 16:49:14 281.210879 3.8613 BFGS: 42 16:49:14 280.590030 3.8538 BFGS: 43 16:49:14 279.971367 3.8464 BFGS: 44 16:49:15 279.354843 3.8391 BFGS: 45 16:49:15 278.740414 3.8318 BFGS: 46 16:49:15 278.128031 3.8245 BFGS: 47 16:49:15 277.517651 3.8172 BFGS: 48 16:49:16 276.909233 3.8100 BFGS: 49 16:49:16 276.302740 3.8028 BFGS: 50 16:49:16 275.698136 3.7956 BFGS: 51 16:49:17 275.095385 3.7884 BFGS: 52 16:49:17 274.494453 3.7813 BFGS: 53 16:49:17 273.895307 3.7741 BFGS: 54 16:49:18 273.297915 3.7670 BFGS: 55 16:49:18 272.702244 3.7599 BFGS: 56 16:49:18 272.108265 3.7529 BFGS: 57 16:49:19 271.515944 3.7459 BFGS: 58 16:49:19 270.925250 3.7389 BFGS: 59 16:49:19 270.336156 3.7319 BFGS: 60 16:49:20 269.748634 3.7250 BFGS: 61 16:49:20 269.162658 3.7181 BFGS: 62 16:49:20 268.578200 3.7112 BFGS: 63 16:49:20 267.995233 3.7043 BFGS: 64 16:49:20 267.413728 3.6974 BFGS: 65 16:49:21 266.833659 3.6906 BFGS: 66 16:49:21 266.254999 3.6838 BFGS: 67 16:49:21 265.677704 3.6770 BFGS: 68 16:49:22 265.101743 3.6702 BFGS: 69 16:49:22 264.527092 3.6635 BFGS: 70 16:49:22 263.953727 3.6568 BFGS: 71 16:49:22 263.381626 3.6502 BFGS: 72 16:49:23 262.810765 3.6436 BFGS: 73 16:49:23 262.241125 3.6369 BFGS: 74 16:49:23 261.672681 3.6303 BFGS: 75 16:49:24 261.105410 3.6238 BFGS: 76 16:49:24 260.539286 3.6172 BFGS: 77 16:49:24 259.974285 3.6106 BFGS: 78 16:49:24 259.410381 3.6041 BFGS: 79 16:49:25 258.847549 3.5976 BFGS: 80 16:49:25 258.285764 3.5911 BFGS: 81 16:49:25 257.725000 3.5846 BFGS: 82 16:49:25 257.165231 3.5781 BFGS: 83 16:49:25 256.606431 3.5716 BFGS: 84 16:49:25 256.048573 3.5651 BFGS: 85 16:49:25 255.491631 3.5587 BFGS: 86 16:49:25 254.935576 3.5523 BFGS: 87 16:49:25 254.380383 3.5458 BFGS: 88 16:49:26 253.826022 3.5394 BFGS: 89 16:49:26 253.272465 3.5330 BFGS: 90 16:49:26 252.719684 3.5266 BFGS: 91 16:49:26 252.167650 3.5202 BFGS: 92 16:49:26 251.616336 3.5138 BFGS: 93 16:49:26 251.065712 3.5074 BFGS: 94 16:49:26 250.515746 3.5011 BFGS: 95 16:49:26 249.966409 3.4947 BFGS: 96 16:49:27 249.417670 3.4883 BFGS: 97 16:49:27 248.869493 3.4820 BFGS: 98 16:49:27 248.321826 3.4757 BFGS: 99 16:49:27 247.774632 3.4694 BFGS: 100 16:49:27 247.227877 3.4630 BFGS: 101 16:49:27 246.681529 3.4567 BFGS: 102 16:49:27 246.135554 3.4504 BFGS: 103 16:49:28 245.589920 3.4441 BFGS: 104 16:49:28 245.044592 3.4378 BFGS: 105 16:49:28 244.499536 3.4315 BFGS: 106 16:49:28 243.954717 3.4252 BFGS: 107 16:49:28 243.410102 3.4189 BFGS: 108 16:49:28 242.865655 3.4125 BFGS: 109 16:49:29 242.321341 3.4062 BFGS: 110 16:49:29 241.777127 3.3999 BFGS: 111 16:49:29 241.232977 3.3936 BFGS: 112 16:49:29 240.688857 3.3872 BFGS: 113 16:49:29 240.144733 3.3809 BFGS: 114 16:49:29 239.600572 3.3745 BFGS: 115 16:49:29 239.056339 3.3682 BFGS: 116 16:49:29 238.512002 3.3618 BFGS: 117 16:49:30 237.967530 3.3555 BFGS: 118 16:49:30 237.422892 3.3491 BFGS: 119 16:49:30 236.878058 3.3427 BFGS: 120 16:49:30 236.332990 3.3364 BFGS: 121 16:49:30 235.787643 3.3300 BFGS: 122 16:49:30 235.241992 3.3237 BFGS: 123 16:49:30 234.696018 3.3173 BFGS: 124 16:49:30 234.149708 3.3110 BFGS: 125 16:49:30 233.603047 3.3047 BFGS: 126 16:49:30 233.056012 3.2983 BFGS: 127 16:49:30 232.508585 3.2920 BFGS: 128 16:49:31 231.960758 3.2856 BFGS: 129 16:49:31 231.412531 3.2792 BFGS: 130 16:49:31 230.863904 3.2728 BFGS: 131 16:49:31 230.314884 3.2663 BFGS: 132 16:49:31 229.765480 3.2598 BFGS: 133 16:49:31 229.215706 3.2533 BFGS: 134 16:49:31 228.665582 3.2468 BFGS: 135 16:49:31 228.115130 3.2403 BFGS: 136 16:49:31 227.564379 3.2337 BFGS: 137 16:49:32 227.013357 3.2271 BFGS: 138 16:49:32 226.462098 3.2205 BFGS: 139 16:49:32 225.910645 3.2138 BFGS: 140 16:49:32 225.359040 3.2071 BFGS: 141 16:49:32 224.807315 3.2004 BFGS: 142 16:49:32 224.255494 3.1937 BFGS: 143 16:49:32 223.703592 3.1869 BFGS: 144 16:49:32 223.151623 3.1801 BFGS: 145 16:49:32 222.599596 3.1733 BFGS: 146 16:49:32 222.047517 3.1664 BFGS: 147 16:49:32 221.495395 3.1595 BFGS: 148 16:49:33 220.943237 3.1526 BFGS: 149 16:49:33 220.391050 3.1457 BFGS: 150 16:49:33 219.838840 3.1387 BFGS: 151 16:49:33 219.286614 3.1317 BFGS: 152 16:49:33 218.734381 3.1246 BFGS: 153 16:49:33 218.182146 3.1176 BFGS: 154 16:49:33 217.629919 3.1105 BFGS: 155 16:49:33 217.077705 3.1034 BFGS: 156 16:49:33 216.525515 3.0962 BFGS: 157 16:49:33 215.973355 3.0891 BFGS: 158 16:49:33 215.421235 3.0819 BFGS: 159 16:49:33 214.869163 3.0747 BFGS: 160 16:49:33 214.317148 3.0674 BFGS: 161 16:49:34 213.765199 3.0602 BFGS: 162 16:49:34 213.213326 3.0529 BFGS: 163 16:49:34 212.661537 3.0456 BFGS: 164 16:49:34 212.109844 3.0382 BFGS: 165 16:49:34 211.558256 3.0309 BFGS: 166 16:49:34 211.006821 3.0235 BFGS: 167 16:49:34 210.455576 3.0161 BFGS: 168 16:49:34 209.904568 3.0088 BFGS: 169 16:49:34 209.353820 3.0015 BFGS: 170 16:49:34 208.803354 2.9942 BFGS: 171 16:49:34 208.253179 2.9868 BFGS: 172 16:49:35 207.703297 2.9795 BFGS: 173 16:49:35 207.153573 2.9721 BFGS: 174 16:49:35 206.603949 2.9647 BFGS: 175 16:49:35 206.054322 2.9573 BFGS: 176 16:49:35 205.504655 2.9499 BFGS: 177 16:49:35 204.954966 2.9424 BFGS: 178 16:49:35 204.405271 2.9350 BFGS: 179 16:49:35 203.855587 2.9275 BFGS: 180 16:49:35 203.305932 2.9200 BFGS: 181 16:49:35 202.756323 2.9125 BFGS: 182 16:49:36 202.206776 2.9050 BFGS: 183 16:49:36 201.657309 2.8975 BFGS: 184 16:49:36 201.107940 2.8899 BFGS: 185 16:49:36 200.558684 2.8824 BFGS: 186 16:49:36 200.009544 2.8749 BFGS: 187 16:49:36 199.460534 2.8674 BFGS: 188 16:49:36 198.911671 2.8599 BFGS: 189 16:49:36 198.362961 2.8524 BFGS: 190 16:49:36 197.814386 2.8449 BFGS: 191 16:49:36 197.265962 2.8373 BFGS: 192 16:49:36 196.717708 2.8298 BFGS: 193 16:49:36 196.169643 2.8222 BFGS: 194 16:49:37 195.621784 2.8146 BFGS: 195 16:49:37 195.074150 2.8070 BFGS: 196 16:49:37 194.526761 2.7995 BFGS: 197 16:49:37 193.979635 2.7919 BFGS: 198 16:49:37 193.432791 2.7843 BFGS: 199 16:49:37 192.886248 2.7767 BFGS: 200 16:49:37 192.340024 2.7691 BFGS: 201 16:49:37 191.794140 2.7614 BFGS: 202 16:49:37 191.248612 2.7538 BFGS: 203 16:49:37 190.703462 2.7462 BFGS: 204 16:49:38 190.158707 2.7386 BFGS: 205 16:49:38 189.614366 2.7309 BFGS: 206 16:49:38 189.070459 2.7233 BFGS: 207 16:49:38 188.527005 2.7157 BFGS: 208 16:49:38 187.984022 2.7080 BFGS: 209 16:49:38 187.441530 2.7004 BFGS: 210 16:49:38 186.899547 2.6928 BFGS: 211 16:49:38 186.358094 2.6852 BFGS: 212 16:49:38 185.817199 2.6776 BFGS: 213 16:49:38 185.276881 2.6700 BFGS: 214 16:49:38 184.737158 2.6624 BFGS: 215 16:49:38 184.198049 2.6548 BFGS: 216 16:49:39 183.659571 2.6472 BFGS: 217 16:49:39 183.121743 2.6396 BFGS: 218 16:49:39 182.584582 2.6321 BFGS: 219 16:49:39 182.048109 2.6245 BFGS: 220 16:49:39 181.512324 2.6170 BFGS: 221 16:49:39 180.977143 2.6096 BFGS: 222 16:49:39 180.442561 2.6021 BFGS: 223 16:49:39 179.908597 2.5947 BFGS: 224 16:49:39 179.375268 2.5872 BFGS: 225 16:49:39 178.842592 2.5798 BFGS: 226 16:49:39 178.310589 2.5723 BFGS: 227 16:49:39 177.779275 2.5649 BFGS: 228 16:49:40 177.248669 2.5575 BFGS: 229 16:49:40 176.718790 2.5501 BFGS: 230 16:49:40 176.189655 2.5427 BFGS: 231 16:49:40 175.661282 2.5353 BFGS: 232 16:49:40 175.133823 2.5279 BFGS: 233 16:49:40 174.607474 2.5205 BFGS: 234 16:49:40 174.082246 2.5131 BFGS: 235 16:49:40 173.558153 2.5058 BFGS: 236 16:49:40 173.035207 2.4984 BFGS: 237 16:49:40 172.513423 2.4911 BFGS: 238 16:49:41 171.992812 2.4838 BFGS: 239 16:49:41 171.473387 2.4765 BFGS: 240 16:49:41 170.955161 2.4718 BFGS: 241 16:49:41 170.438146 2.4673 BFGS: 242 16:49:41 169.922356 2.4628 BFGS: 243 16:49:41 169.407802 2.4584 BFGS: 244 16:49:41 168.894497 2.4539 BFGS: 245 16:49:41 168.382453 2.4493 BFGS: 246 16:49:41 167.871683 2.4448 BFGS: 247 16:49:41 167.362198 2.4403 BFGS: 248 16:49:41 166.853985 2.4359 BFGS: 249 16:49:42 166.346983 2.4316 BFGS: 250 16:49:42 165.841202 2.4273 BFGS: 251 16:49:42 165.336652 2.4230 BFGS: 252 16:49:42 164.833345 2.4187 BFGS: 253 16:49:42 164.331292 2.4143 BFGS: 254 16:49:42 163.830504 2.4100 BFGS: 255 16:49:42 163.330993 2.4056 BFGS: 256 16:49:42 162.832770 2.4012 BFGS: 257 16:49:42 162.335845 2.3969 BFGS: 258 16:49:42 161.840231 2.3925 BFGS: 259 16:49:43 161.345936 2.3881 BFGS: 260 16:49:43 160.852941 2.3838 BFGS: 261 16:49:43 160.361255 2.3796 BFGS: 262 16:49:43 159.870890 2.3753 BFGS: 263 16:49:43 159.381860 2.3710 BFGS: 264 16:49:43 158.894177 2.3667 BFGS: 265 16:49:43 158.407852 2.3623 BFGS: 266 16:49:43 157.922900 2.3580 BFGS: 267 16:49:43 157.439330 2.3536 BFGS: 268 16:49:43 156.957153 2.3493 BFGS: 269 16:49:43 156.476381 2.3449 BFGS: 270 16:49:44 155.997026 2.3405 BFGS: 271 16:49:44 155.519100 2.3361 BFGS: 272 16:49:44 155.042617 2.3317 BFGS: 273 16:49:44 154.567587 2.3273 BFGS: 274 16:49:44 154.094024 2.3228 BFGS: 275 16:49:44 153.621939 2.3184 BFGS: 276 16:49:44 153.151346 2.3139 BFGS: 277 16:49:44 152.682254 2.3094 BFGS: 278 16:49:44 152.214670 2.3051 BFGS: 279 16:49:44 151.748607 2.3007 BFGS: 280 16:49:44 151.284078 2.2962 BFGS: 281 16:49:44 150.821096 2.2918 BFGS: 282 16:49:44 150.359673 2.2874 BFGS: 283 16:49:45 149.899821 2.2829 BFGS: 284 16:49:45 149.441554 2.2784 BFGS: 285 16:49:45 148.984884 2.2740 BFGS: 286 16:49:45 148.529823 2.2695 BFGS: 287 16:49:45 148.076384 2.2649 BFGS: 288 16:49:45 147.624608 2.2607 BFGS: 289 16:49:45 147.174576 2.2565 BFGS: 290 16:49:45 146.726306 2.2524 BFGS: 291 16:49:45 146.279807 2.2482 BFGS: 292 16:49:45 145.835087 2.2439 BFGS: 293 16:49:45 145.392149 2.2397 BFGS: 294 16:49:46 144.951005 2.2355 BFGS: 295 16:49:46 144.511665 2.2312 BFGS: 296 16:49:46 144.074140 2.2269 BFGS: 297 16:49:46 143.638439 2.2227 BFGS: 298 16:49:46 143.204574 2.2184 BFGS: 299 16:49:46 142.772556 2.2140 BFGS: 300 16:49:46 142.342394 2.2097 BFGS: 301 16:49:46 141.914099 2.2054 BFGS: 302 16:49:46 141.487682 2.2010 BFGS: 303 16:49:46 141.063152 2.1966 BFGS: 304 16:49:46 140.640521 2.1922 BFGS: 305 16:49:46 140.219799 2.1878 BFGS: 306 16:49:46 139.800995 2.1834 BFGS: 307 16:49:46 139.384120 2.1790 BFGS: 308 16:49:47 138.969183 2.1746 BFGS: 309 16:49:47 138.556173 2.1701 BFGS: 310 16:49:47 138.145090 2.1656 BFGS: 311 16:49:47 137.735943 2.1612 BFGS: 312 16:49:47 137.328743 2.1567 BFGS: 313 16:49:47 136.923497 2.1521 BFGS: 314 16:49:47 136.520216 2.1476 BFGS: 315 16:49:47 136.118899 2.1432 BFGS: 316 16:49:47 135.719516 2.1388 BFGS: 317 16:49:47 135.322071 2.1343 BFGS: 318 16:49:47 134.926570 2.1299 BFGS: 319 16:49:47 134.533020 2.1254 BFGS: 320 16:49:47 134.141428 2.1210 BFGS: 321 16:49:48 133.751801 2.1165 BFGS: 322 16:49:48 133.364147 2.1120 BFGS: 323 16:49:48 132.978471 2.1075 BFGS: 324 16:49:48 132.594782 2.1030 BFGS: 325 16:49:48 132.213086 2.0985 BFGS: 326 16:49:48 131.833388 2.0940 BFGS: 327 16:49:48 131.455642 2.0899 BFGS: 328 16:49:48 131.079837 2.0858 BFGS: 329 16:49:48 130.705907 2.0823 BFGS: 330 16:49:48 130.333808 2.0789 BFGS: 331 16:49:48 129.963544 2.0754 BFGS: 332 16:49:48 129.595121 2.0719 BFGS: 333 16:49:49 129.228544 2.0684 BFGS: 334 16:49:49 128.863816 2.0649 BFGS: 335 16:49:49 128.500943 2.0614 BFGS: 336 16:49:49 128.139930 2.0579 BFGS: 337 16:49:49 127.780782 2.0543 BFGS: 338 16:49:49 127.423504 2.0508 BFGS: 339 16:49:49 127.068101 2.0472 BFGS: 340 16:49:49 126.714578 2.0437 BFGS: 341 16:49:49 126.362940 2.0401 BFGS: 342 16:49:49 126.013192 2.0365 BFGS: 343 16:49:49 125.665338 2.0329 BFGS: 344 16:49:49 125.319384 2.0293 BFGS: 345 16:49:49 124.975333 2.0257 BFGS: 346 16:49:49 124.633191 2.0221 BFGS: 347 16:49:50 124.292958 2.0186 BFGS: 348 16:49:50 123.954646 2.0151 BFGS: 349 16:49:50 123.618260 2.0115 BFGS: 350 16:49:50 123.283804 2.0080 BFGS: 351 16:49:50 122.951282 2.0044 BFGS: 352 16:49:50 122.620696 2.0009 BFGS: 353 16:49:50 122.292045 1.9974 BFGS: 354 16:49:50 121.965322 1.9939 BFGS: 355 16:49:50 121.640530 1.9904 BFGS: 356 16:49:50 121.317672 1.9869 BFGS: 357 16:49:51 120.996749 1.9834 BFGS: 358 16:49:51 120.677764 1.9798 BFGS: 359 16:49:51 120.360719 1.9763 BFGS: 360 16:49:51 120.045614 1.9728 BFGS: 361 16:49:51 119.732451 1.9693 BFGS: 362 16:49:51 119.421231 1.9657 BFGS: 363 16:49:51 119.111955 1.9622 BFGS: 364 16:49:51 118.804623 1.9587 BFGS: 365 16:49:51 118.499235 1.9551 BFGS: 366 16:49:51 118.195791 1.9516 BFGS: 367 16:49:52 117.894290 1.9480 BFGS: 368 16:49:52 117.594733 1.9445 BFGS: 369 16:49:52 117.297117 1.9409 BFGS: 370 16:49:52 117.001442 1.9374 BFGS: 371 16:49:52 116.707705 1.9338 BFGS: 372 16:49:52 116.415906 1.9302 BFGS: 373 16:49:52 116.126042 1.9267 BFGS: 374 16:49:52 115.838110 1.9231 BFGS: 375 16:49:52 115.552101 1.9195 BFGS: 376 16:49:53 115.267991 1.9160 BFGS: 377 16:49:53 114.985774 1.9124 BFGS: 378 16:49:53 114.705446 1.9088 BFGS: 379 16:49:53 114.427003 1.9052 BFGS: 380 16:49:53 114.150437 1.9017 BFGS: 381 16:49:53 113.875746 1.8981 BFGS: 382 16:49:53 113.602922 1.8945 BFGS: 383 16:49:53 113.331960 1.8909 BFGS: 384 16:49:53 113.062853 1.8873 BFGS: 385 16:49:53 112.795594 1.8838 BFGS: 386 16:49:54 112.530177 1.8802 BFGS: 387 16:49:54 112.266594 1.8766 BFGS: 388 16:49:54 112.004837 1.8730 BFGS: 389 16:49:54 111.744892 1.8695 BFGS: 390 16:49:54 111.486743 1.8660 BFGS: 391 16:49:54 111.230381 1.8625 BFGS: 392 16:49:54 110.975799 1.8590 BFGS: 393 16:49:54 110.722985 1.8555 BFGS: 394 16:49:54 110.471938 1.8521 BFGS: 395 16:49:54 110.222664 1.8486 BFGS: 396 16:49:54 109.975154 1.8452 BFGS: 397 16:49:54 109.729399 1.8417 BFGS: 398 16:49:55 109.485390 1.8382 BFGS: 399 16:49:55 109.243116 1.8348 BFGS: 400 16:49:55 109.002568 1.8313 BFGS: 401 16:49:55 108.763735 1.8279 BFGS: 402 16:49:55 108.526606 1.8244 BFGS: 403 16:49:55 108.291170 1.8209 BFGS: 404 16:49:55 108.057417 1.8175 BFGS: 405 16:49:55 107.825335 1.8140 BFGS: 406 16:49:55 107.594912 1.8105 BFGS: 407 16:49:55 107.366137 1.8071 BFGS: 408 16:49:56 107.138996 1.8036 BFGS: 409 16:49:56 106.913429 1.8002 BFGS: 410 16:49:56 106.689384 1.7967 BFGS: 411 16:49:56 106.466847 1.7933 BFGS: 412 16:49:56 106.245803 1.7899 BFGS: 413 16:49:56 106.026238 1.7865 BFGS: 414 16:49:56 105.808101 1.7834 BFGS: 415 16:49:56 105.591372 1.7803 BFGS: 416 16:49:56 105.376038 1.7773 BFGS: 417 16:49:56 105.162088 1.7742 BFGS: 418 16:49:56 104.949509 1.7712 BFGS: 419 16:49:57 104.738287 1.7681 BFGS: 420 16:49:57 104.528409 1.7650 BFGS: 421 16:49:57 104.319862 1.7620 BFGS: 422 16:49:57 104.112633 1.7589 BFGS: 423 16:49:57 103.906699 1.7559 BFGS: 424 16:49:57 103.701990 1.7529 BFGS: 425 16:49:57 103.498478 1.7499 BFGS: 426 16:49:57 103.296150 1.7469 BFGS: 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55.972303 1.2073 BFGS: 760 16:50:24 55.851268 1.2059 BFGS: 761 16:50:24 55.730265 1.2049 BFGS: 762 16:50:24 55.609288 1.2040 BFGS: 763 16:50:24 55.488348 1.2030 BFGS: 764 16:50:24 55.367439 1.2021 BFGS: 765 16:50:24 55.246564 1.2012 BFGS: 766 16:50:24 55.125736 1.2004 BFGS: 767 16:50:24 55.004959 1.1995 BFGS: 768 16:50:25 54.884235 1.1987 BFGS: 769 16:50:25 54.763570 1.1978 BFGS: 770 16:50:25 54.642966 1.1969 BFGS: 771 16:50:25 54.522431 1.1960 BFGS: 772 16:50:25 54.401991 1.1951 BFGS: 773 16:50:25 54.281651 1.1942 BFGS: 774 16:50:25 54.161414 1.1932 BFGS: 775 16:50:25 54.041285 1.1923 BFGS: 776 16:50:25 53.921270 1.1914 BFGS: 777 16:50:25 53.801371 1.1905 BFGS: 778 16:50:25 53.681595 1.1896 BFGS: 779 16:50:25 53.561905 1.1887 BFGS: 780 16:50:25 53.442264 1.1878 BFGS: 781 16:50:25 53.322715 1.1869 BFGS: 782 16:50:26 53.203265 1.1860 BFGS: 783 16:50:26 53.083922 1.1851 BFGS: 784 16:50:26 52.964707 1.1844 BFGS: 785 16:50:26 52.845771 1.1841 BFGS: 786 16:50:26 52.727053 1.1837 BFGS: 787 16:50:26 52.608559 1.1833 BFGS: 788 16:50:26 52.490297 1.1829 BFGS: 789 16:50:26 52.372273 1.1825 BFGS: 790 16:50:26 52.254495 1.1820 BFGS: 791 16:50:26 52.136968 1.1815 BFGS: 792 16:50:26 52.019700 1.1809 BFGS: 793 16:50:26 51.902697 1.1804 BFGS: 794 16:50:26 51.785965 1.1798 BFGS: 795 16:50:26 51.669306 1.1792 BFGS: 796 16:50:27 51.552795 1.1785 BFGS: 797 16:50:27 51.436474 1.1779 BFGS: 798 16:50:27 51.320353 1.1772 BFGS: 799 16:50:27 51.204435 1.1766 BFGS: 800 16:50:27 51.088728 1.1759 BFGS: 801 16:50:27 50.973237 1.1753 BFGS: 802 16:50:27 50.857980 1.1751 BFGS: 803 16:50:27 50.742950 1.1748 BFGS: 804 16:50:27 50.628152 1.1745 BFGS: 805 16:50:27 50.513590 1.1742 BFGS: 806 16:50:27 50.399268 1.1738 BFGS: 807 16:50:27 50.285189 1.1735 BFGS: 808 16:50:27 50.171355 1.1731 BFGS: 809 16:50:28 50.057768 1.1727 BFGS: 810 16:50:28 49.944431 1.1723 BFGS: 811 16:50:28 49.831342 1.1718 BFGS: 812 16:50:28 49.718504 1.1714 BFGS: 813 16:50:28 49.605915 1.1709 BFGS: 814 16:50:28 49.493573 1.1704 BFGS: 815 16:50:28 49.381477 1.1699 BFGS: 816 16:50:28 49.269625 1.1693 BFGS: 817 16:50:28 49.158008 1.1691 BFGS: 818 16:50:28 49.046547 1.1697 BFGS: 819 16:50:28 48.935225 1.1702 BFGS: 820 16:50:28 48.824038 1.1706 BFGS: 821 16:50:28 48.712980 1.1710 BFGS: 822 16:50:29 48.602045 1.1714 BFGS: 823 16:50:29 48.491228 1.1718 BFGS: 824 16:50:29 48.380520 1.1721 BFGS: 825 16:50:29 48.269915 1.1723 BFGS: 826 16:50:29 48.159404 1.1725 BFGS: 827 16:50:29 48.048978 1.1727 BFGS: 828 16:50:29 47.938627 1.1729 BFGS: 829 16:50:29 47.828343 1.1730 BFGS: 830 16:50:29 47.718115 1.1731 BFGS: 831 16:50:29 47.607931 1.1732 BFGS: 832 16:50:29 47.497781 1.1733 BFGS: 833 16:50:29 47.387653 1.1733 BFGS: 834 16:50:29 47.277567 1.1733 BFGS: 835 16:50:30 47.167846 1.1733 BFGS: 836 16:50:30 47.058423 1.1732 BFGS: 837 16:50:30 46.949284 1.1731 BFGS: 838 16:50:30 46.840412 1.1730 BFGS: 839 16:50:30 46.731792 1.1729 BFGS: 840 16:50:30 46.623406 1.1727 BFGS: 841 16:50:30 46.515239 1.1724 BFGS: 842 16:50:30 46.407270 1.1721 BFGS: 843 16:50:30 46.299484 1.1718 BFGS: 844 16:50:30 46.191859 1.1715 BFGS: 845 16:50:31 46.084378 1.1711 BFGS: 846 16:50:31 45.977020 1.1707 BFGS: 847 16:50:31 45.869765 1.1702 BFGS: 848 16:50:31 45.762584 1.1697 BFGS: 849 16:50:31 45.655554 1.1691 BFGS: 850 16:50:31 45.548749 1.1685 BFGS: 851 16:50:31 45.442136 1.1678 BFGS: 852 16:50:32 45.335418 1.1671 BFGS: 853 16:50:32 45.228679 1.1664 BFGS: 854 16:50:32 45.121899 1.1656 BFGS: 855 16:50:32 45.015059 1.1649 BFGS: 856 16:50:32 44.908142 1.1642 BFGS: 857 16:50:32 44.801127 1.1635 BFGS: 858 16:50:32 44.693997 1.1627 BFGS: 859 16:50:32 44.586732 1.1619 BFGS: 860 16:50:32 44.479315 1.1612 BFGS: 861 16:50:32 44.371725 1.1604 BFGS: 862 16:50:32 44.263943 1.1595 BFGS: 863 16:50:32 44.155959 1.1587 BFGS: 864 16:50:32 44.047757 1.1578 BFGS: 865 16:50:32 43.939195 1.1569 BFGS: 866 16:50:33 43.830127 1.1560 BFGS: 867 16:50:33 43.720629 1.1550 BFGS: 868 16:50:33 43.610682 1.1541 BFGS: 869 16:50:33 43.500264 1.1531 BFGS: 870 16:50:33 43.389533 1.1520 BFGS: 871 16:50:33 43.278307 1.1509 BFGS: 872 16:50:33 43.166679 1.1497 BFGS: 873 16:50:33 43.054470 1.1484 BFGS: 874 16:50:33 42.941632 1.1470 BFGS: 875 16:50:33 42.828110 1.1455 BFGS: 876 16:50:33 42.713847 1.1438 BFGS: 877 16:50:33 42.598780 1.1421 BFGS: 878 16:50:33 42.482838 1.1402 BFGS: 879 16:50:33 42.365945 1.1381 BFGS: 880 16:50:34 42.247862 1.1359 BFGS: 881 16:50:34 42.128644 1.1335 BFGS: 882 16:50:34 42.008135 1.1309 BFGS: 883 16:50:34 41.886269 1.1282 BFGS: 884 16:50:34 41.763085 1.1253 BFGS: 885 16:50:34 41.638483 1.1222 BFGS: 886 16:50:34 41.512355 1.1189 BFGS: 887 16:50:34 41.384578 1.1154 BFGS: 888 16:50:34 41.255075 1.1117 BFGS: 889 16:50:34 41.123666 1.1077 BFGS: 890 16:50:34 40.989965 1.1034 BFGS: 891 16:50:34 40.854173 1.0987 BFGS: 892 16:50:34 40.716066 1.0936 BFGS: 893 16:50:34 40.575388 1.0882 BFGS: 894 16:50:34 40.431846 1.0823 BFGS: 895 16:50:35 40.285098 1.0759 BFGS: 896 16:50:35 40.134752 1.0690 BFGS: 897 16:50:35 39.980343 1.0614 BFGS: 898 16:50:35 39.821320 1.0532 BFGS: 899 16:50:35 39.657237 1.0441 BFGS: 900 16:50:35 39.487419 1.0335 BFGS: 901 16:50:35 39.311300 1.0213 BFGS: 902 16:50:35 39.127708 1.0077 BFGS: 903 16:50:35 38.935124 0.9925 BFGS: 904 16:50:35 38.731507 0.9752 BFGS: 905 16:50:35 38.513835 0.9554 BFGS: 906 16:50:35 38.278112 0.9324 BFGS: 907 16:50:35 38.020665 0.9051 BFGS: 908 16:50:35 37.725731 0.8724 BFGS: 909 16:50:36 37.424540 0.8981 BFGS: 910 16:50:36 37.129743 0.9148 BFGS: 911 16:50:36 36.828706 0.9178 BFGS: 912 16:50:36 36.603832 0.9055 BFGS: 913 16:50:36 36.424717 0.8854 BFGS: 914 16:50:36 36.265661 0.8598 BFGS: 915 16:50:36 36.118253 0.8306 BFGS: 916 16:50:36 35.978880 0.7994 BFGS: 917 16:50:36 35.845894 0.7665 BFGS: 918 16:50:36 35.718398 0.7584 BFGS: 919 16:50:36 35.595903 0.7583 BFGS: 920 16:50:36 35.478087 0.7583 BFGS: 921 16:50:36 35.364690 0.7581 BFGS: 922 16:50:36 35.255466 0.7580 BFGS: 923 16:50:37 35.150178 0.7579 BFGS: 924 16:50:37 35.048763 0.7579 BFGS: 925 16:50:37 34.950654 0.7579 BFGS: 926 16:50:37 34.855348 0.7579 BFGS: 927 16:50:37 34.762838 0.7580 BFGS: 928 16:50:37 34.672330 0.7580 BFGS: 929 16:50:37 34.582675 0.7579 BFGS: 930 16:50:37 34.492308 0.7577 BFGS: 931 16:50:37 34.398953 0.7574 BFGS: 932 16:50:37 34.299304 0.7569 BFGS: 933 16:50:37 34.187438 0.7561 BFGS: 934 16:50:37 34.051229 0.7547 BFGS: 935 16:50:37 33.875873 0.7523 BFGS: 936 16:50:37 33.705676 0.7494 BFGS: 937 16:50:38 33.565780 0.7467 BFGS: 938 16:50:38 33.451153 0.7445 BFGS: 939 16:50:38 33.346045 0.7426 BFGS: 940 16:50:38 33.245868 0.7408 BFGS: 941 16:50:38 33.148927 0.7390 BFGS: 942 16:50:38 33.054438 0.7373 BFGS: 943 16:50:38 32.962007 0.7355 BFGS: 944 16:50:38 32.871420 0.7339 BFGS: 945 16:50:38 32.782558 0.7322 BFGS: 946 16:50:38 32.695347 0.7305 BFGS: 947 16:50:38 32.609739 0.7289 BFGS: 948 16:50:39 32.525696 0.7272 BFGS: 949 16:50:39 32.443183 0.7256 BFGS: 950 16:50:39 32.362169 0.7239 BFGS: 951 16:50:39 32.282617 0.7223 BFGS: 952 16:50:39 32.204493 0.7207 BFGS: 953 16:50:39 32.127757 0.7190 BFGS: 954 16:50:39 32.052368 0.7174 BFGS: 955 16:50:39 31.978284 0.7158 BFGS: 956 16:50:39 31.905459 0.7141 BFGS: 957 16:50:39 31.833850 0.7125 BFGS: 958 16:50:39 31.763409 0.7108 BFGS: 959 16:50:40 31.694089 0.7092 BFGS: 960 16:50:40 31.625951 0.7075 BFGS: 961 16:50:40 31.558829 0.7059 BFGS: 962 16:50:40 31.492660 0.7042 BFGS: 963 16:50:40 31.427455 0.7026 BFGS: 964 16:50:40 31.363208 0.7009 BFGS: 965 16:50:40 31.299897 0.6992 BFGS: 966 16:50:40 31.237489 0.6975 BFGS: 967 16:50:40 31.175943 0.6959 BFGS: 968 16:50:40 31.115214 0.6942 BFGS: 969 16:50:40 31.055252 0.6925 BFGS: 970 16:50:41 30.996007 0.6908 BFGS: 971 16:50:41 30.937486 0.6891 BFGS: 972 16:50:41 30.879670 0.6875 BFGS: 973 16:50:41 30.822519 0.6858 BFGS: 974 16:50:41 30.765991 0.6842 BFGS: 975 16:50:41 30.710032 0.6826 BFGS: 976 16:50:41 30.654563 0.6810 BFGS: 977 16:50:41 30.599569 0.6795 BFGS: 978 16:50:41 30.545048 0.6782 BFGS: 979 16:50:41 30.490877 0.6770 BFGS: 980 16:50:42 30.437065 0.6758 BFGS: 981 16:50:42 30.383599 0.6746 BFGS: 982 16:50:42 30.330455 0.6733 BFGS: 983 16:50:42 30.277606 0.6721 BFGS: 984 16:50:42 30.225009 0.6709 BFGS: 985 16:50:42 30.172598 0.6697 BFGS: 986 16:50:42 30.120383 0.6685 BFGS: 987 16:50:42 30.068345 0.6673 BFGS: 988 16:50:42 30.016437 0.6661 BFGS: 989 16:50:43 29.964655 0.6649 BFGS: 990 16:50:43 29.912969 0.6637 BFGS: 991 16:50:43 29.861338 0.6625 BFGS: 992 16:50:43 29.809733 0.6612 BFGS: 993 16:50:43 29.758124 0.6600 BFGS: 994 16:50:43 29.706486 0.6587 BFGS: 995 16:50:43 29.654797 0.6575 BFGS: 996 16:50:43 29.603035 0.6562 BFGS: 997 16:50:43 29.551373 0.6549 BFGS: 998 16:50:43 29.499742 0.6537 BFGS: 999 16:50:44 29.448113 0.6524 BFGS: 1000 16:50:44 29.396449 0.6511 BFGS: 1001 16:50:44 29.344754 0.6498 BFGS: 1002 16:50:44 29.293114 0.6485 BFGS: 1003 16:50:44 29.241479 0.6472 BFGS: 1004 16:50:44 29.189812 0.6458 BFGS: 1005 16:50:44 29.138081 0.6445 BFGS: 1006 16:50:44 29.086260 0.6431 BFGS: 1007 16:50:44 29.034327 0.6418 BFGS: 1008 16:50:44 28.982261 0.6404 BFGS: 1009 16:50:45 28.930042 0.6390 BFGS: 1010 16:50:45 28.877689 0.6376 BFGS: 1011 16:50:45 28.825322 0.6362 BFGS: 1012 16:50:45 28.772899 0.6348 BFGS: 1013 16:50:45 28.720367 0.6334 BFGS: 1014 16:50:45 28.667690 0.6320 BFGS: 1015 16:50:45 28.614846 0.6306 BFGS: 1016 16:50:45 28.561797 0.6292 BFGS: 1017 16:50:45 28.508427 0.6279 BFGS: 1018 16:50:45 28.454735 0.6265 BFGS: 1019 16:50:45 28.400712 0.6251 BFGS: 1020 16:50:45 28.346343 0.6237 BFGS: 1021 16:50:45 28.291613 0.6223 BFGS: 1022 16:50:45 28.236505 0.6209 BFGS: 1023 16:50:45 28.181002 0.6194 BFGS: 1024 16:50:45 28.125089 0.6179 BFGS: 1025 16:50:46 28.068749 0.6164 BFGS: 1026 16:50:46 28.011967 0.6149 BFGS: 1027 16:50:46 27.954732 0.6134 BFGS: 1028 16:50:46 27.897029 0.6119 BFGS: 1029 16:50:46 27.838848 0.6103 BFGS: 1030 16:50:46 27.780180 0.6098 BFGS: 1031 16:50:46 27.721017 0.6105 BFGS: 1032 16:50:46 27.661353 0.6111 BFGS: 1033 16:50:46 27.601184 0.6117 BFGS: 1034 16:50:46 27.540507 0.6123 BFGS: 1035 16:50:46 27.479324 0.6129 BFGS: 1036 16:50:46 27.417638 0.6134 BFGS: 1037 16:50:46 27.355465 0.6139 BFGS: 1038 16:50:46 27.292866 0.6144 BFGS: 1039 16:50:46 27.229872 0.6149 BFGS: 1040 16:50:46 27.166506 0.6154 BFGS: 1041 16:50:46 27.102796 0.6158 BFGS: 1042 16:50:47 27.038770 0.6161 BFGS: 1043 16:50:47 26.974459 0.6165 BFGS: 1044 16:50:47 26.909900 0.6168 BFGS: 1045 16:50:47 26.845131 0.6170 BFGS: 1046 16:50:47 26.780195 0.6173 BFGS: 1047 16:50:47 26.715141 0.6174 BFGS: 1048 16:50:47 26.650017 0.6176 BFGS: 1049 16:50:47 26.584882 0.6177 BFGS: 1050 16:50:47 26.519794 0.6178 BFGS: 1051 16:50:47 26.454798 0.6178 BFGS: 1052 16:50:48 26.389881 0.6178 BFGS: 1053 16:50:48 26.325070 0.6177 BFGS: 1054 16:50:48 26.260756 0.6176 BFGS: 1055 16:50:48 26.197029 0.6174 BFGS: 1056 16:50:48 26.133949 0.6171 BFGS: 1057 16:50:48 26.071560 0.6168 BFGS: 1058 16:50:48 26.009896 0.6165 BFGS: 1059 16:50:48 25.948981 0.6160 BFGS: 1060 16:50:48 25.888831 0.6156 BFGS: 1061 16:50:48 25.829456 0.6150 BFGS: 1062 16:50:48 25.770859 0.6145 BFGS: 1063 16:50:49 25.713035 0.6138 BFGS: 1064 16:50:49 25.655975 0.6132 BFGS: 1065 16:50:49 25.599663 0.6124 BFGS: 1066 16:50:49 25.544079 0.6117 BFGS: 1067 16:50:49 25.489198 0.6109 BFGS: 1068 16:50:49 25.434991 0.6100 BFGS: 1069 16:50:49 25.381298 0.6092 BFGS: 1070 16:50:49 25.328530 0.6084 BFGS: 1071 16:50:49 25.276615 0.6075 BFGS: 1072 16:50:49 25.225423 0.6066 BFGS: 1073 16:50:49 25.174867 0.6057 BFGS: 1074 16:50:50 25.124916 0.6049 BFGS: 1075 16:50:50 25.075711 0.6040 BFGS: 1076 16:50:50 25.027149 0.6031 BFGS: 1077 16:50:50 24.979151 0.6021 BFGS: 1078 16:50:50 24.931652 0.6012 BFGS: 1079 16:50:50 24.884595 0.6002 BFGS: 1080 16:50:50 24.837931 0.5992 BFGS: 1081 16:50:50 24.791613 0.5982 BFGS: 1082 16:50:50 24.745602 0.5972 BFGS: 1083 16:50:50 24.699861 0.5962 BFGS: 1084 16:50:50 24.654357 0.5951 BFGS: 1085 16:50:51 24.609056 0.5941 BFGS: 1086 16:50:51 24.563955 0.5930 BFGS: 1087 16:50:51 24.519069 0.5920 BFGS: 1088 16:50:51 24.474369 0.5909 BFGS: 1089 16:50:51 24.429829 0.5898 BFGS: 1090 16:50:51 24.385428 0.5887 BFGS: 1091 16:50:51 24.341143 0.5876 BFGS: 1092 16:50:51 24.296958 0.5865 BFGS: 1093 16:50:51 24.252855 0.5853 BFGS: 1094 16:50:51 24.208820 0.5842 BFGS: 1095 16:50:51 24.164839 0.5830 BFGS: 1096 16:50:52 24.120899 0.5819 BFGS: 1097 16:50:52 24.076991 0.5807 BFGS: 1098 16:50:52 24.033103 0.5795 BFGS: 1099 16:50:52 23.989226 0.5784 BFGS: 1100 16:50:52 23.945350 0.5772 BFGS: 1101 16:50:52 23.901466 0.5761 BFGS: 1102 16:50:52 23.857565 0.5749 BFGS: 1103 16:50:52 23.813643 0.5737 BFGS: 1104 16:50:52 23.769693 0.5725 BFGS: 1105 16:50:52 23.725686 0.5714 BFGS: 1106 16:50:52 23.681585 0.5702 BFGS: 1107 16:50:53 23.637399 0.5691 BFGS: 1108 16:50:53 23.593129 0.5679 BFGS: 1109 16:50:53 23.548779 0.5668 BFGS: 1110 16:50:53 23.504351 0.5656 BFGS: 1111 16:50:53 23.459846 0.5644 BFGS: 1112 16:50:53 23.415266 0.5633 BFGS: 1113 16:50:54 23.370613 0.5621 BFGS: 1114 16:50:54 23.325887 0.5609 BFGS: 1115 16:50:54 23.281082 0.5597 BFGS: 1116 16:50:54 23.236144 0.5585 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BFGS: 1144 16:50:56 21.984954 0.5259 BFGS: 1145 16:50:56 21.942303 0.5248 BFGS: 1146 16:50:56 21.899835 0.5237 BFGS: 1147 16:50:56 21.857539 0.5226 BFGS: 1148 16:50:56 21.815402 0.5214 BFGS: 1149 16:50:56 21.773412 0.5203 BFGS: 1150 16:50:56 21.731561 0.5207 BFGS: 1151 16:50:56 21.689838 0.5211 BFGS: 1152 16:50:56 21.648234 0.5215 BFGS: 1153 16:50:56 21.606740 0.5218 BFGS: 1154 16:50:56 21.565350 0.5222 BFGS: 1155 16:50:56 21.524056 0.5225 BFGS: 1156 16:50:56 21.482851 0.5229 BFGS: 1157 16:50:56 21.441729 0.5232 BFGS: 1158 16:50:57 21.400684 0.5235 BFGS: 1159 16:50:57 21.359710 0.5238 BFGS: 1160 16:50:57 21.318803 0.5241 BFGS: 1161 16:50:57 21.277958 0.5244 BFGS: 1162 16:50:57 21.237169 0.5246 BFGS: 1163 16:50:57 21.196434 0.5249 BFGS: 1164 16:50:57 21.155748 0.5251 BFGS: 1165 16:50:57 21.115107 0.5254 BFGS: 1166 16:50:57 21.074508 0.5256 BFGS: 1167 16:50:57 21.033948 0.5259 BFGS: 1168 16:50:57 20.993424 0.5261 BFGS: 1169 16:50:57 20.952933 0.5263 BFGS: 1170 16:50:57 20.912473 0.5265 BFGS: 1171 16:50:57 20.872040 0.5267 BFGS: 1172 16:50:57 20.831633 0.5269 BFGS: 1173 16:50:58 20.791250 0.5271 BFGS: 1174 16:50:58 20.750888 0.5273 BFGS: 1175 16:50:58 20.710546 0.5274 BFGS: 1176 16:50:58 20.670222 0.5276 BFGS: 1177 16:50:58 20.629914 0.5278 BFGS: 1178 16:50:58 20.589621 0.5279 BFGS: 1179 16:50:58 20.549341 0.5281 BFGS: 1180 16:50:58 20.509073 0.5282 BFGS: 1181 16:50:58 20.468816 0.5284 BFGS: 1182 16:50:58 20.428568 0.5285 BFGS: 1183 16:50:58 20.388328 0.5286 BFGS: 1184 16:50:58 20.348096 0.5288 BFGS: 1185 16:50:58 20.307871 0.5289 BFGS: 1186 16:50:58 20.267650 0.5290 BFGS: 1187 16:50:58 20.227435 0.5291 BFGS: 1188 16:50:59 20.187223 0.5292 BFGS: 1189 16:50:59 20.147014 0.5293 BFGS: 1190 16:50:59 20.106808 0.5294 BFGS: 1191 16:50:59 20.066604 0.5295 BFGS: 1192 16:50:59 20.026401 0.5296 BFGS: 1193 16:50:59 19.986199 0.5297 BFGS: 1194 16:50:59 19.945996 0.5298 BFGS: 1195 16:50:59 19.905794 0.5298 BFGS: 1196 16:50:59 19.865591 0.5299 BFGS: 1197 16:50:59 19.825386 0.5300 BFGS: 1198 16:50:59 19.785180 0.5300 BFGS: 1199 16:50:59 19.744972 0.5301 BFGS: 1200 16:50:59 19.704762 0.5301 BFGS: 1201 16:50:59 19.664549 0.5302 BFGS: 1202 16:50:59 19.624334 0.5302 BFGS: 1203 16:51:00 19.584116 0.5303 BFGS: 1204 16:51:00 19.543894 0.5303 BFGS: 1205 16:51:00 19.503669 0.5303 BFGS: 1206 16:51:00 19.463440 0.5304 BFGS: 1207 16:51:00 19.423207 0.5304 BFGS: 1208 16:51:00 19.382971 0.5304 BFGS: 1209 16:51:00 19.342730 0.5304 BFGS: 1210 16:51:00 19.302485 0.5304 BFGS: 1211 16:51:00 19.262236 0.5304 BFGS: 1212 16:51:00 19.221982 0.5305 BFGS: 1213 16:51:00 19.181724 0.5305 BFGS: 1214 16:51:00 19.141462 0.5304 BFGS: 1215 16:51:00 19.101195 0.5304 BFGS: 1216 16:51:00 19.060923 0.5304 BFGS: 1217 16:51:00 19.020647 0.5304 BFGS: 1218 16:51:01 18.980366 0.5304 BFGS: 1219 16:51:01 18.940081 0.5304 BFGS: 1220 16:51:01 18.899791 0.5303 BFGS: 1221 16:51:01 18.859497 0.5303 BFGS: 1222 16:51:01 18.819199 0.5303 BFGS: 1223 16:51:01 18.778896 0.5302 BFGS: 1224 16:51:01 18.738586 0.5302 BFGS: 1225 16:51:01 18.698310 0.5301 BFGS: 1226 16:51:01 18.658149 0.5300 BFGS: 1227 16:51:01 18.618084 0.5299 BFGS: 1228 16:51:01 18.578104 0.5298 BFGS: 1229 16:51:01 18.538200 0.5296 BFGS: 1230 16:51:01 18.498363 0.5294 BFGS: 1231 16:51:01 18.458589 0.5293 BFGS: 1232 16:51:01 18.418871 0.5291 BFGS: 1233 16:51:01 18.379206 0.5289 BFGS: 1234 16:51:02 18.339587 0.5287 BFGS: 1235 16:51:02 18.300013 0.5285 BFGS: 1236 16:51:02 18.260478 0.5283 BFGS: 1237 16:51:02 18.220980 0.5281 BFGS: 1238 16:51:02 18.181516 0.5279 BFGS: 1239 16:51:02 18.142083 0.5277 BFGS: 1240 16:51:02 18.102678 0.5274 BFGS: 1241 16:51:02 18.063299 0.5272 BFGS: 1242 16:51:02 18.023943 0.5269 BFGS: 1243 16:51:02 17.984609 0.5267 BFGS: 1244 16:51:02 17.945294 0.5264 BFGS: 1245 16:51:02 17.905997 0.5261 BFGS: 1246 16:51:02 17.866716 0.5259 BFGS: 1247 16:51:02 17.827449 0.5256 BFGS: 1248 16:51:02 17.788194 0.5253 BFGS: 1249 16:51:02 17.748952 0.5250 BFGS: 1250 16:51:03 17.709719 0.5247 BFGS: 1251 16:51:03 17.670496 0.5244 BFGS: 1252 16:51:03 17.631281 0.5241 BFGS: 1253 16:51:03 17.592073 0.5237 BFGS: 1254 16:51:03 17.552871 0.5234 BFGS: 1255 16:51:03 17.513674 0.5231 BFGS: 1256 16:51:03 17.474483 0.5227 BFGS: 1257 16:51:03 17.435295 0.5224 BFGS: 1258 16:51:03 17.396110 0.5220 BFGS: 1259 16:51:03 17.356929 0.5217 BFGS: 1260 16:51:03 17.317750 0.5213 BFGS: 1261 16:51:03 17.278573 0.5210 BFGS: 1262 16:51:03 17.239397 0.5206 BFGS: 1263 16:51:03 17.200223 0.5202 BFGS: 1264 16:51:03 17.161049 0.5198 BFGS: 1265 16:51:04 17.121940 0.5194 BFGS: 1266 16:51:04 17.083105 0.5190 BFGS: 1267 16:51:04 17.044512 0.5185 BFGS: 1268 16:51:04 17.006140 0.5181 BFGS: 1269 16:51:04 16.967969 0.5176 BFGS: 1270 16:51:04 16.929985 0.5171 BFGS: 1271 16:51:04 16.892174 0.5166 BFGS: 1272 16:51:04 16.854526 0.5161 BFGS: 1273 16:51:04 16.817030 0.5155 BFGS: 1274 16:51:04 16.779677 0.5150 BFGS: 1275 16:51:04 16.742459 0.5145 BFGS: 1276 16:51:04 16.705369 0.5139 BFGS: 1277 16:51:04 16.668401 0.5133 BFGS: 1278 16:51:04 16.631547 0.5128 BFGS: 1279 16:51:04 16.594802 0.5122 BFGS: 1280 16:51:05 16.558162 0.5116 BFGS: 1281 16:51:05 16.521620 0.5110 BFGS: 1282 16:51:05 16.485172 0.5104 BFGS: 1283 16:51:05 16.448794 0.5097 BFGS: 1284 16:51:05 16.412626 0.5091 BFGS: 1285 16:51:05 16.376660 0.5085 BFGS: 1286 16:51:05 16.340883 0.5078 BFGS: 1287 16:51:05 16.305280 0.5072 BFGS: 1288 16:51:05 16.269841 0.5065 BFGS: 1289 16:51:05 16.234556 0.5059 BFGS: 1290 16:51:05 16.199414 0.5052 BFGS: 1291 16:51:05 16.164408 0.5045 BFGS: 1292 16:51:05 16.129530 0.5038 BFGS: 1293 16:51:05 16.094772 0.5031 BFGS: 1294 16:51:06 16.060128 0.5024 BFGS: 1295 16:51:06 16.025590 0.5017 BFGS: 1296 16:51:06 15.991154 0.5009 BFGS: 1297 16:51:06 15.956814 0.5002 BFGS: 1298 16:51:06 15.922564 0.4995 BFGS: 1299 16:51:06 15.888401 0.4987 BFGS: 1300 16:51:06 15.854318 0.4980 BFGS: 1301 16:51:06 15.820312 0.4972 BFGS: 1302 16:51:06 15.786378 0.4964 BFGS: 1303 16:51:06 15.752514 0.4957 BFGS: 1304 16:51:06 15.718714 0.4949 BFGS: 1305 16:51:06 15.684976 0.4941 BFGS: 1306 16:51:06 15.651297 0.4933 BFGS: 1307 16:51:06 15.617672 0.4925 BFGS: 1308 16:51:06 15.584100 0.4918 BFGS: 1309 16:51:07 15.550577 0.4910 BFGS: 1310 16:51:07 15.517100 0.4902 BFGS: 1311 16:51:07 15.483667 0.4894 BFGS: 1312 16:51:07 15.450275 0.4886 BFGS: 1313 16:51:07 15.416923 0.4878 BFGS: 1314 16:51:07 15.383607 0.4870 BFGS: 1315 16:51:07 15.350326 0.4861 BFGS: 1316 16:51:07 15.317076 0.4853 BFGS: 1317 16:51:07 15.283858 0.4845 BFGS: 1318 16:51:07 15.250668 0.4837 BFGS: 1319 16:51:07 15.217504 0.4829 BFGS: 1320 16:51:07 15.184365 0.4821 BFGS: 1321 16:51:07 15.151250 0.4813 BFGS: 1322 16:51:07 15.118155 0.4804 BFGS: 1323 16:51:08 15.085081 0.4799 BFGS: 1324 16:51:08 15.052025 0.4798 BFGS: 1325 16:51:08 15.018986 0.4797 BFGS: 1326 16:51:08 14.985962 0.4796 BFGS: 1327 16:51:08 14.952952 0.4795 BFGS: 1328 16:51:08 14.919954 0.4793 BFGS: 1329 16:51:08 14.886984 0.4792 BFGS: 1330 16:51:08 14.854075 0.4791 BFGS: 1331 16:51:08 14.821223 0.4790 BFGS: 1332 16:51:08 14.788423 0.4790 BFGS: 1333 16:51:08 14.755674 0.4789 BFGS: 1334 16:51:08 14.722970 0.4788 BFGS: 1335 16:51:08 14.690325 0.4787 BFGS: 1336 16:51:08 14.657727 0.4786 BFGS: 1337 16:51:09 14.625172 0.4784 BFGS: 1338 16:51:09 14.592661 0.4781 BFGS: 1339 16:51:09 14.560191 0.4778 BFGS: 1340 16:51:09 14.527763 0.4775 BFGS: 1341 16:51:09 14.495374 0.4772 BFGS: 1342 16:51:09 14.463025 0.4769 BFGS: 1343 16:51:09 14.430714 0.4765 BFGS: 1344 16:51:09 14.398440 0.4761 BFGS: 1345 16:51:09 14.366202 0.4758 BFGS: 1346 16:51:09 14.334000 0.4754 BFGS: 1347 16:51:09 14.301832 0.4750 BFGS: 1348 16:51:09 14.269698 0.4746 BFGS: 1349 16:51:09 14.237596 0.4741 BFGS: 1350 16:51:10 14.205527 0.4737 BFGS: 1351 16:51:10 14.173489 0.4733 BFGS: 1352 16:51:10 14.141481 0.4728 BFGS: 1353 16:51:10 14.109502 0.4724 BFGS: 1354 16:51:10 14.077553 0.4719 BFGS: 1355 16:51:10 14.045631 0.4714 BFGS: 1356 16:51:10 14.013737 0.4709 BFGS: 1357 16:51:10 13.981870 0.4705 BFGS: 1358 16:51:10 13.950028 0.4700 BFGS: 1359 16:51:10 13.918212 0.4695 BFGS: 1360 16:51:10 13.886421 0.4689 BFGS: 1361 16:51:10 13.854654 0.4684 BFGS: 1362 16:51:10 13.822910 0.4679 BFGS: 1363 16:51:10 13.791188 0.4674 BFGS: 1364 16:51:10 13.759490 0.4668 BFGS: 1365 16:51:11 13.727812 0.4663 BFGS: 1366 16:51:11 13.696156 0.4657 BFGS: 1367 16:51:11 13.664521 0.4652 BFGS: 1368 16:51:11 13.632905 0.4646 BFGS: 1369 16:51:11 13.601309 0.4640 BFGS: 1370 16:51:11 13.569732 0.4634 BFGS: 1371 16:51:11 13.538174 0.4628 BFGS: 1372 16:51:11 13.506634 0.4622 BFGS: 1373 16:51:11 13.475111 0.4616 BFGS: 1374 16:51:11 13.443606 0.4610 BFGS: 1375 16:51:11 13.412117 0.4604 BFGS: 1376 16:51:11 13.380645 0.4598 BFGS: 1377 16:51:11 13.349189 0.4592 BFGS: 1378 16:51:11 13.317749 0.4585 BFGS: 1379 16:51:12 13.286325 0.4579 BFGS: 1380 16:51:12 13.254915 0.4572 BFGS: 1381 16:51:12 13.223520 0.4566 BFGS: 1382 16:51:12 13.192140 0.4559 BFGS: 1383 16:51:12 13.160774 0.4553 BFGS: 1384 16:51:12 13.129421 0.4546 BFGS: 1385 16:51:12 13.098083 0.4539 BFGS: 1386 16:51:12 13.066758 0.4532 BFGS: 1387 16:51:12 13.035446 0.4525 BFGS: 1388 16:51:12 13.004148 0.4518 BFGS: 1389 16:51:12 12.972862 0.4511 BFGS: 1390 16:51:12 12.941589 0.4504 BFGS: 1391 16:51:12 12.910328 0.4497 BFGS: 1392 16:51:12 12.879080 0.4490 BFGS: 1393 16:51:12 12.847845 0.4483 BFGS: 1394 16:51:13 12.816621 0.4475 BFGS: 1395 16:51:13 12.785410 0.4468 BFGS: 1396 16:51:13 12.754211 0.4460 BFGS: 1397 16:51:13 12.723024 0.4453 BFGS: 1398 16:51:13 12.691849 0.4445 BFGS: 1399 16:51:13 12.660686 0.4438 BFGS: 1400 16:51:13 12.629534 0.4430 BFGS: 1401 16:51:13 12.598395 0.4422 BFGS: 1402 16:51:13 12.567268 0.4414 BFGS: 1403 16:51:13 12.536152 0.4406 BFGS: 1404 16:51:13 12.505049 0.4399 BFGS: 1405 16:51:13 12.473958 0.4391 BFGS: 1406 16:51:13 12.442878 0.4383 BFGS: 1407 16:51:13 12.411812 0.4374 BFGS: 1408 16:51:13 12.380757 0.4366 BFGS: 1409 16:51:14 12.349715 0.4358 BFGS: 1410 16:51:14 12.318685 0.4350 BFGS: 1411 16:51:14 12.287668 0.4342 BFGS: 1412 16:51:14 12.256664 0.4333 BFGS: 1413 16:51:14 12.225673 0.4325 BFGS: 1414 16:51:14 12.194696 0.4316 BFGS: 1415 16:51:14 12.163731 0.4308 BFGS: 1416 16:51:14 12.132780 0.4299 BFGS: 1417 16:51:14 12.101843 0.4291 BFGS: 1418 16:51:14 12.070920 0.4282 BFGS: 1419 16:51:14 12.040011 0.4273 BFGS: 1420 16:51:14 12.009116 0.4264 BFGS: 1421 16:51:14 11.978237 0.4256 BFGS: 1422 16:51:14 11.947372 0.4247 BFGS: 1423 16:51:15 11.916523 0.4238 BFGS: 1424 16:51:15 11.885689 0.4229 BFGS: 1425 16:51:15 11.854870 0.4220 BFGS: 1426 16:51:15 11.824069 0.4211 BFGS: 1427 16:51:15 11.793283 0.4201 BFGS: 1428 16:51:15 11.762514 0.4192 BFGS: 1429 16:51:15 11.731763 0.4183 BFGS: 1430 16:51:15 11.701029 0.4174 BFGS: 1431 16:51:15 11.670313 0.4164 BFGS: 1432 16:51:15 11.639614 0.4155 BFGS: 1433 16:51:15 11.608935 0.4146 BFGS: 1434 16:51:15 11.578274 0.4136 BFGS: 1435 16:51:15 11.547633 0.4127 BFGS: 1436 16:51:15 11.517012 0.4117 BFGS: 1437 16:51:16 11.486410 0.4107 BFGS: 1438 16:51:16 11.455829 0.4098 BFGS: 1439 16:51:16 11.425269 0.4088 BFGS: 1440 16:51:16 11.394731 0.4078 BFGS: 1441 16:51:16 11.364214 0.4069 BFGS: 1442 16:51:16 11.333720 0.4059 BFGS: 1443 16:51:16 11.303248 0.4049 BFGS: 1444 16:51:16 11.272810 0.4039 BFGS: 1445 16:51:16 11.242418 0.4029 BFGS: 1446 16:51:16 11.212074 0.4019 BFGS: 1447 16:51:16 11.181777 0.4009 BFGS: 1448 16:51:16 11.151527 0.3999 BFGS: 1449 16:51:16 11.121325 0.3990 BFGS: 1450 16:51:16 11.091171 0.3980 BFGS: 1451 16:51:17 11.061065 0.3970 BFGS: 1452 16:51:17 11.031005 0.3960 BFGS: 1453 16:51:17 11.000993 0.3950 BFGS: 1454 16:51:17 10.971027 0.3940 BFGS: 1455 16:51:17 10.941108 0.3930 BFGS: 1456 16:51:17 10.911235 0.3920 BFGS: 1457 16:51:17 10.881408 0.3910 BFGS: 1458 16:51:17 10.851627 0.3901 BFGS: 1459 16:51:17 10.821892 0.3891 BFGS: 1460 16:51:17 10.792202 0.3881 BFGS: 1461 16:51:17 10.762557 0.3871 BFGS: 1462 16:51:17 10.732957 0.3861 BFGS: 1463 16:51:18 10.703402 0.3851 BFGS: 1464 16:51:18 10.673892 0.3841 BFGS: 1465 16:51:18 10.644430 0.3830 BFGS: 1466 16:51:18 10.615003 0.3820 BFGS: 1467 16:51:18 10.585591 0.3811 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1495 16:51:20 9.777845 0.3611 BFGS: 1496 16:51:20 9.750309 0.3605 BFGS: 1497 16:51:20 9.722887 0.3598 BFGS: 1498 16:51:20 9.695577 0.3592 BFGS: 1499 16:51:20 9.668377 0.3586 BFGS: 1500 16:51:20 9.641284 0.3580 BFGS: 1501 16:51:20 9.614297 0.3574 BFGS: 1502 16:51:21 9.587414 0.3568 BFGS: 1503 16:51:21 9.560632 0.3562 BFGS: 1504 16:51:21 9.533949 0.3556 BFGS: 1505 16:51:21 9.507365 0.3550 BFGS: 1506 16:51:21 9.480877 0.3543 BFGS: 1507 16:51:21 9.454484 0.3537 BFGS: 1508 16:51:21 9.428185 0.3531 BFGS: 1509 16:51:21 9.401977 0.3525 BFGS: 1510 16:51:21 9.375859 0.3519 BFGS: 1511 16:51:21 9.349831 0.3513 BFGS: 1512 16:51:21 9.323891 0.3507 BFGS: 1513 16:51:21 9.298038 0.3501 BFGS: 1514 16:51:22 9.272270 0.3495 BFGS: 1515 16:51:22 9.246586 0.3489 BFGS: 1516 16:51:22 9.220986 0.3483 BFGS: 1517 16:51:22 9.195468 0.3476 BFGS: 1518 16:51:22 9.170031 0.3470 BFGS: 1519 16:51:22 9.144674 0.3464 BFGS: 1520 16:51:22 9.119396 0.3458 BFGS: 1521 16:51:22 9.094197 0.3452 BFGS: 1522 16:51:22 9.069075 0.3446 BFGS: 1523 16:51:22 9.044029 0.3440 BFGS: 1524 16:51:22 9.019059 0.3434 BFGS: 1525 16:51:22 8.994164 0.3427 BFGS: 1526 16:51:22 8.969343 0.3421 BFGS: 1527 16:51:23 8.944595 0.3415 BFGS: 1528 16:51:23 8.919919 0.3409 BFGS: 1529 16:51:23 8.895315 0.3403 BFGS: 1530 16:51:23 8.870782 0.3397 BFGS: 1531 16:51:23 8.846320 0.3391 BFGS: 1532 16:51:23 8.821927 0.3384 BFGS: 1533 16:51:23 8.797602 0.3378 BFGS: 1534 16:51:23 8.773346 0.3372 BFGS: 1535 16:51:23 8.749158 0.3366 BFGS: 1536 16:51:23 8.725036 0.3360 BFGS: 1537 16:51:23 8.700981 0.3354 BFGS: 1538 16:51:23 8.676992 0.3347 BFGS: 1539 16:51:23 8.653067 0.3341 BFGS: 1540 16:51:24 8.629208 0.3335 BFGS: 1541 16:51:24 8.605412 0.3329 BFGS: 1542 16:51:24 8.581680 0.3323 BFGS: 1543 16:51:24 8.558011 0.3316 BFGS: 1544 16:51:24 8.534404 0.3310 BFGS: 1545 16:51:24 8.510860 0.3304 BFGS: 1546 16:51:24 8.487377 0.3298 BFGS: 1547 16:51:24 8.463954 0.3292 BFGS: 1548 16:51:24 8.440591 0.3285 BFGS: 1549 16:51:24 8.417283 0.3279 BFGS: 1550 16:51:24 8.394030 0.3273 BFGS: 1551 16:51:24 8.370831 0.3267 BFGS: 1552 16:51:24 8.347686 0.3262 BFGS: 1553 16:51:25 8.324594 0.3256 BFGS: 1554 16:51:25 8.301554 0.3250 BFGS: 1555 16:51:25 8.278566 0.3244 BFGS: 1556 16:51:25 8.255629 0.3238 BFGS: 1557 16:51:25 8.232742 0.3233 BFGS: 1558 16:51:25 8.209905 0.3227 BFGS: 1559 16:51:25 8.187118 0.3221 BFGS: 1560 16:51:25 8.164381 0.3215 BFGS: 1561 16:51:25 8.141691 0.3210 BFGS: 1562 16:51:25 8.119051 0.3204 BFGS: 1563 16:51:25 8.096458 0.3198 BFGS: 1564 16:51:25 8.073912 0.3192 BFGS: 1565 16:51:25 8.051414 0.3187 BFGS: 1566 16:51:26 8.028962 0.3181 BFGS: 1567 16:51:26 8.006557 0.3175 BFGS: 1568 16:51:26 7.984198 0.3169 BFGS: 1569 16:51:26 7.961884 0.3163 BFGS: 1570 16:51:26 7.939616 0.3158 BFGS: 1571 16:51:26 7.917393 0.3152 BFGS: 1572 16:51:26 7.895214 0.3146 BFGS: 1573 16:51:26 7.873080 0.3140 BFGS: 1574 16:51:26 7.850990 0.3134 BFGS: 1575 16:51:26 7.828944 0.3129 BFGS: 1576 16:51:26 7.806941 0.3123 BFGS: 1577 16:51:26 7.784981 0.3117 BFGS: 1578 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0.1388 BFGS: 1967 16:51:54 1.498943 0.1383 BFGS: 1968 16:51:54 1.489543 0.1378 BFGS: 1969 16:51:54 1.480180 0.1373 BFGS: 1970 16:51:55 1.470854 0.1367 BFGS: 1971 16:51:55 1.461564 0.1362 BFGS: 1972 16:51:55 1.452311 0.1356 BFGS: 1973 16:51:55 1.443097 0.1351 BFGS: 1974 16:51:55 1.433925 0.1345 BFGS: 1975 16:51:55 1.424792 0.1340 BFGS: 1976 16:51:55 1.415699 0.1335 BFGS: 1977 16:51:55 1.406645 0.1329 BFGS: 1978 16:51:55 1.397629 0.1324 BFGS: 1979 16:51:55 1.388652 0.1318 BFGS: 1980 16:51:55 1.379712 0.1313 BFGS: 1981 16:51:55 1.370810 0.1307 BFGS: 1982 16:51:55 1.361945 0.1302 BFGS: 1983 16:51:55 1.353117 0.1296 BFGS: 1984 16:51:55 1.344327 0.1290 BFGS: 1985 16:51:56 1.335587 0.1285 BFGS: 1986 16:51:56 1.326860 0.1278 BFGS: 1987 16:51:56 1.318147 0.1272 BFGS: 1988 16:51:56 1.309450 0.1265 BFGS: 1989 16:51:56 1.300771 0.1258 BFGS: 1990 16:51:56 1.292110 0.1251 BFGS: 1991 16:51:56 1.283470 0.1243 BFGS: 1992 16:51:56 1.274852 0.1235 BFGS: 1993 16:51:56 1.266256 0.1227 BFGS: 1994 16:51:56 1.257684 0.1219 BFGS: 1995 16:51:56 1.249136 0.1211 BFGS: 1996 16:51:56 1.240614 0.1203 BFGS: 1997 16:51:56 1.232118 0.1194 BFGS: 1998 16:51:56 1.223650 0.1186 BFGS: 1999 16:51:56 1.215210 0.1177 BFGS: 2000 16:51:57 1.206799 0.1168 BFGS: 2001 16:51:57 1.198418 0.1159 BFGS: 2002 16:51:57 1.190066 0.1150 BFGS: 2003 16:51:57 1.181745 0.1142 BFGS: 2004 16:51:57 1.173462 0.1133 BFGS: 2005 16:51:57 1.165215 0.1124 BFGS: 2006 16:51:57 1.157004 0.1116 BFGS: 2007 16:51:57 1.148829 0.1107 BFGS: 2008 16:51:57 1.140690 0.1099 BFGS: 2009 16:51:57 1.132586 0.1091 BFGS: 2010 16:51:57 1.124517 0.1082 BFGS: 2011 16:51:57 1.116483 0.1074 BFGS: 2012 16:51:57 1.108483 0.1066 BFGS: 2013 16:51:58 1.100519 0.1058 BFGS: 2014 16:51:58 1.092589 0.1050 BFGS: 2015 16:51:58 1.084694 0.1042 BFGS: 2016 16:51:58 1.076833 0.1034 BFGS: 2017 16:51:58 1.069007 0.1026 BFGS: 2018 16:51:58 1.061215 0.1018 BFGS: 2019 16:51:58 1.053458 0.1011 BFGS: 2020 16:51:58 1.045735 0.1007 BFGS: 2021 16:51:58 1.038046 0.1002 BFGS: 2022 16:51:58 1.030392 0.0997 BFGS: 2023 16:51:58 1.022773 0.0993 BFGS: 2024 16:51:58 1.015187 0.0988 BFGS: 2025 16:51:58 1.007637 0.0983 BFGS: 2026 16:51:58 1.000120 0.0978 BFGS: 2027 16:51:59 0.992638 0.0973 BFGS: 2028 16:51:59 0.985190 0.0968 BFGS: 2029 16:51:59 0.977777 0.0964 BFGS: 2030 16:51:59 0.970398 0.0959 BFGS: 2031 16:51:59 0.963053 0.0954 BFGS: 2032 16:51:59 0.955743 0.0949 BFGS: 2033 16:51:59 0.948467 0.0944 BFGS: 2034 16:51:59 0.941226 0.0939 BFGS: 2035 16:51:59 0.934019 0.0934 BFGS: 2036 16:51:59 0.926846 0.0929 BFGS: 2037 16:51:59 0.919708 0.0924 BFGS: 2038 16:51:59 0.912604 0.0919 BFGS: 2039 16:51:59 0.905535 0.0914 BFGS: 2040 16:51:59 0.898500 0.0909 BFGS: 2041 16:51:59 0.891499 0.0904 BFGS: 2042 16:52:00 0.884532 0.0899 BFGS: 2043 16:52:00 0.877601 0.0894 BFGS: 2044 16:52:00 0.870703 0.0889 BFGS: 2045 16:52:00 0.863840 0.0884 BFGS: 2046 16:52:00 0.857011 0.0879 BFGS: 2047 16:52:00 0.850216 0.0874 BFGS: 2048 16:52:00 0.843456 0.0869 BFGS: 2049 16:52:00 0.836731 0.0864 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0.0722 BFGS: 2078 16:52:02 0.657078 0.0717 BFGS: 2079 16:52:02 0.651443 0.0712 BFGS: 2080 16:52:02 0.645845 0.0706 BFGS: 2081 16:52:02 0.640284 0.0701 BFGS: 2082 16:52:02 0.634759 0.0696 BFGS: 2083 16:52:02 0.629273 0.0690 BFGS: 2084 16:52:02 0.623825 0.0685 BFGS: 2085 16:52:02 0.618415 0.0680 BFGS: 2086 16:52:02 0.613045 0.0674 BFGS: 2087 16:52:02 0.607714 0.0669 BFGS: 2088 16:52:02 0.602423 0.0663 BFGS: 2089 16:52:02 0.597172 0.0657 BFGS: 2090 16:52:03 0.591963 0.0653 BFGS: 2091 16:52:03 0.586794 0.0651 BFGS: 2092 16:52:03 0.581666 0.0648 BFGS: 2093 16:52:03 0.576581 0.0646 BFGS: 2094 16:52:03 0.571537 0.0643 BFGS: 2095 16:52:03 0.566536 0.0640 BFGS: 2096 16:52:03 0.561577 0.0637 BFGS: 2097 16:52:03 0.556661 0.0633 BFGS: 2098 16:52:03 0.551788 0.0630 BFGS: 2099 16:52:03 0.546958 0.0627 BFGS: 2100 16:52:03 0.542172 0.0623 BFGS: 2101 16:52:03 0.537429 0.0619 BFGS: 2102 16:52:03 0.532731 0.0615 BFGS: 2103 16:52:03 0.528076 0.0612 BFGS: 2104 16:52:03 0.523465 0.0607 BFGS: 2105 16:52:03 0.518899 0.0603 BFGS: 2106 16:52:03 0.514377 0.0599 BFGS: 2107 16:52:03 0.509899 0.0594 BFGS: 2108 16:52:03 0.505466 0.0590 BFGS: 2109 16:52:04 0.501078 0.0585 BFGS: 2110 16:52:04 0.496734 0.0583 BFGS: 2111 16:52:04 0.492434 0.0591 BFGS: 2112 16:52:04 0.488179 0.0598 BFGS: 2113 16:52:04 0.483969 0.0606 BFGS: 2114 16:52:04 0.479804 0.0613 BFGS: 2115 16:52:04 0.475683 0.0621 BFGS: 2116 16:52:04 0.471607 0.0628 BFGS: 2117 16:52:04 0.467575 0.0635 BFGS: 2118 16:52:04 0.463587 0.0642 BFGS: 2119 16:52:04 0.459644 0.0649 BFGS: 2120 16:52:04 0.455738 0.0656 BFGS: 2121 16:52:04 0.451867 0.0662 BFGS: 2122 16:52:04 0.448030 0.0669 BFGS: 2123 16:52:04 0.444229 0.0677 BFGS: 2124 16:52:04 0.440463 0.0687 BFGS: 2125 16:52:04 0.436732 0.0696 BFGS: 2126 16:52:04 0.433036 0.0706 BFGS: 2127 16:52:05 0.429376 0.0716 BFGS: 2128 16:52:05 0.425752 0.0725 BFGS: 2129 16:52:05 0.422164 0.0735 BFGS: 2130 16:52:05 0.418612 0.0745 BFGS: 2131 16:52:05 0.415096 0.0754 BFGS: 2132 16:52:05 0.411617 0.0764 BFGS: 2133 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0.0372 BFGS: 2300 16:52:14 0.071543 0.0373 BFGS: 2301 16:52:14 0.070414 0.0375 BFGS: 2302 16:52:14 0.069295 0.0375 BFGS: 2303 16:52:15 0.068192 0.0376 BFGS: 2304 16:52:15 0.067106 0.0376 BFGS: 2305 16:52:15 0.066034 0.0376 BFGS: 2306 16:52:15 0.064978 0.0376 BFGS: 2307 16:52:15 0.063937 0.0376 BFGS: 2308 16:52:15 0.062911 0.0375 BFGS: 2309 16:52:15 0.061899 0.0375 BFGS: 2310 16:52:15 0.060900 0.0374 BFGS: 2311 16:52:15 0.059915 0.0373 BFGS: 2312 16:52:15 0.058944 0.0372 BFGS: 2313 16:52:15 0.057985 0.0371 BFGS: 2314 16:52:15 0.057040 0.0370 BFGS: 2315 16:52:15 0.056107 0.0369 BFGS: 2316 16:52:16 0.055186 0.0367 BFGS: 2317 16:52:16 0.054277 0.0366 BFGS: 2318 16:52:16 0.053380 0.0364 BFGS: 2319 16:52:16 0.052494 0.0363 BFGS: 2320 16:52:16 0.051620 0.0361 BFGS: 2321 16:52:16 0.050759 0.0360 BFGS: 2322 16:52:16 0.049901 0.0359 BFGS: 2323 16:52:16 0.049047 0.0358 BFGS: 2324 16:52:16 0.048198 0.0356 BFGS: 2325 16:52:16 0.047355 0.0354 BFGS: 2326 16:52:16 0.046518 0.0351 BFGS: 2327 16:52:16 0.045690 0.0348 BFGS: 2328 16:52:16 0.044870 0.0345 BFGS: 2329 16:52:17 0.044059 0.0342 BFGS: 2330 16:52:17 0.043258 0.0339 BFGS: 2331 16:52:17 0.042466 0.0335 BFGS: 2332 16:52:17 0.041684 0.0332 BFGS: 2333 16:52:17 0.040912 0.0328 BFGS: 2334 16:52:17 0.040150 0.0325 BFGS: 2335 16:52:17 0.039398 0.0321 BFGS: 2336 16:52:17 0.038657 0.0318 BFGS: 2337 16:52:17 0.037925 0.0314 BFGS: 2338 16:52:17 0.037203 0.0311 BFGS: 2339 16:52:17 0.036490 0.0307 BFGS: 2340 16:52:17 0.035787 0.0304 BFGS: 2341 16:52:17 0.035094 0.0300 BFGS: 2342 16:52:17 0.034410 0.0296 BFGS: 2343 16:52:18 0.033735 0.0293 BFGS: 2344 16:52:18 0.033069 0.0289 BFGS: 2345 16:52:18 0.032412 0.0286 BFGS: 2346 16:52:18 0.031764 0.0282 BFGS: 2347 16:52:18 0.031124 0.0279 BFGS: 2348 16:52:18 0.030493 0.0275 BFGS: 2349 16:52:18 0.029871 0.0272 BFGS: 2350 16:52:18 0.029258 0.0269 BFGS: 2351 16:52:18 0.028655 0.0265 BFGS: 2352 16:52:18 0.028060 0.0262 BFGS: 2353 16:52:18 0.027473 0.0259 BFGS: 2354 16:52:18 0.026894 0.0256 BFGS: 2355 16:52:18 0.026323 0.0253 BFGS: 2356 16:52:19 0.025760 0.0250 BFGS: 2357 16:52:19 0.025204 0.0247 BFGS: 2358 16:52:19 0.024655 0.0244 BFGS: 2359 16:52:19 0.024114 0.0241 BFGS: 2360 16:52:19 0.023580 0.0238 BFGS: 2361 16:52:19 0.023053 0.0235 BFGS: 2362 16:52:19 0.022533 0.0232 BFGS: 2363 16:52:19 0.022020 0.0229 BFGS: 2364 16:52:19 0.021514 0.0226 BFGS: 2365 16:52:19 0.021014 0.0224 BFGS: 2366 16:52:19 0.020520 0.0221 BFGS: 2367 16:52:19 0.020033 0.0218 BFGS: 2368 16:52:19 0.019552 0.0216 BFGS: 2369 16:52:20 0.019077 0.0213 BFGS: 2370 16:52:20 0.018608 0.0210 BFGS: 2371 16:52:20 0.018145 0.0208 BFGS: 2372 16:52:20 0.017688 0.0205 BFGS: 2373 16:52:20 0.017236 0.0203 BFGS: 2374 16:52:20 0.016791 0.0200 BFGS: 2375 16:52:20 0.016351 0.0197 BFGS: 2376 16:52:20 0.015916 0.0195 BFGS: 2377 16:52:20 0.015488 0.0192 BFGS: 2378 16:52:20 0.015065 0.0190 BFGS: 2379 16:52:20 0.014647 0.0187 BFGS: 2380 16:52:20 0.014235 0.0185 BFGS: 2381 16:52:20 0.013829 0.0182 BFGS: 2382 16:52:21 0.013429 0.0179 BFGS: 2383 16:52:21 0.013034 0.0177 BFGS: 2384 16:52:21 0.012644 0.0174 BFGS: 2385 16:52:21 0.012260 0.0172 BFGS: 2386 16:52:21 0.011882 0.0169 BFGS: 2387 16:52:21 0.011510 0.0167 BFGS: 2388 16:52:21 0.011142 0.0164 BFGS: 2389 16:52:21 0.010781 0.0161 BFGS: 2390 16:52:21 0.010425 0.0159 BFGS: 2391 16:52:21 0.010075 0.0156 BFGS: 2392 16:52:21 0.009730 0.0154 BFGS: 2393 16:52:21 0.009391 0.0151 BFGS: 2394 16:52:21 0.009058 0.0148 BFGS: 2395 16:52:22 0.008731 0.0146 BFGS: 2396 16:52:22 0.008409 0.0143 BFGS: 2397 16:52:22 0.008093 0.0141 BFGS: 2398 16:52:22 0.007783 0.0138 BFGS: 2399 16:52:22 0.007478 0.0135 BFGS: 2400 16:52:22 0.007180 0.0133 BFGS: 2401 16:52:22 0.006887 0.0130 BFGS: 2402 16:52:22 0.006600 0.0127 BFGS: 2403 16:52:22 0.006319 0.0125 BFGS: 2404 16:52:22 0.006044 0.0122 BFGS: 2405 16:52:22 0.005775 0.0119 BFGS: 2406 16:52:22 0.005513 0.0116 BFGS: 2407 16:52:23 0.005256 0.0114 BFGS: 2408 16:52:23 0.005005 0.0111 BFGS: 2409 16:52:23 0.004761 0.0108 BFGS: 2410 16:52:23 0.004524 0.0105 BFGS: 2411 16:52:23 0.004295 0.0103 BFGS: 2412 16:52:23 0.004074 0.0100 BFGS: 2413 16:52:23 0.003859 0.0097 BFGS: 2414 16:52:23 0.003653 0.0095 BFGS: 2415 16:52:23 0.003453 0.0092 BFGS: 2416 16:52:23 0.003261 0.0089 BFGS: 2417 16:52:23 0.003076 0.0087 BFGS: 2418 16:52:23 0.002898 0.0083 BFGS: 2419 16:52:24 0.002728 0.0079 BFGS: 2420 16:52:24 0.002566 0.0076 BFGS: 2421 16:52:24 0.002411 0.0072 BFGS: 2422 16:52:24 0.002263 0.0069 BFGS: 2423 16:52:24 0.002122 0.0068 BFGS: 2424 16:52:24 0.001987 0.0067 BFGS: 2425 16:52:24 0.001860 0.0066 BFGS: 2426 16:52:24 0.001739 0.0065 BFGS: 2427 16:52:24 0.001624 0.0064 BFGS: 2428 16:52:24 0.001516 0.0062 BFGS: 2429 16:52:24 0.001414 0.0061 BFGS: 2430 16:52:24 0.001318 0.0060 BFGS: 2431 16:52:24 0.001227 0.0062 BFGS: 2432 16:52:25 0.001142 0.0063 BFGS: 2433 16:52:25 0.001063 0.0064 BFGS: 2434 16:52:25 0.000989 0.0066 BFGS: 2435 16:52:25 0.000920 0.0067 BFGS: 2436 16:52:25 0.000855 0.0068 BFGS: 2437 16:52:25 0.000796 0.0068 BFGS: 2438 16:52:25 0.000741 0.0069 BFGS: 2439 16:52:25 0.000691 0.0069 BFGS: 2440 16:52:25 0.000643 0.0070 BFGS: 2441 16:52:25 0.000598 0.0070 BFGS: 2442 16:52:25 0.000556 0.0070 BFGS: 2443 16:52:26 0.000516 0.0070 BFGS: 2444 16:52:26 0.000479 0.0070 BFGS: 2445 16:52:26 0.000443 0.0069 BFGS: 2446 16:52:26 0.000410 0.0069 BFGS: 2447 16:52:26 0.000378 0.0068 BFGS: 2448 16:52:26 0.000348 0.0068 BFGS: 2449 16:52:26 0.000320 0.0067 BFGS: 2450 16:52:26 0.000293 0.0066 BFGS: 2451 16:52:26 0.000267 0.0065 BFGS: 2452 16:52:26 0.000243 0.0064 BFGS: 2453 16:52:26 0.000220 0.0062 BFGS: 2454 16:52:27 0.000198 0.0061 BFGS: 2455 16:52:27 0.000178 0.0059 BFGS: 2456 16:52:27 0.000159 0.0058 BFGS: 2457 16:52:27 0.000142 0.0056 BFGS: 2458 16:52:27 0.000126 0.0054 BFGS: 2459 16:52:27 0.000112 0.0052 BFGS: 2460 16:52:27 0.000099 0.0049 BFGS: 2461 16:52:27 0.000087 0.0046 BFGS: 2462 16:52:27 0.000076 0.0044 BFGS: 2463 16:52:27 0.000065 0.0041 BFGS: 2464 16:52:27 0.000056 0.0037 BFGS: 2465 16:52:27 0.000047 0.0034 BFGS: 2466 16:52:28 0.000039 0.0031 BFGS: 2467 16:52:28 0.000031 0.0028 BFGS: 2468 16:52:28 0.000025 0.0025 BFGS: 2469 16:52:28 0.000019 0.0022 BFGS: 2470 16:52:28 0.000014 0.0019 BFGS: 2471 16:52:28 0.000010 0.0016 BFGS: 2472 16:52:28 0.000006 0.0013 BFGS: 2473 16:52:28 0.000004 0.0009 BFGS: 2474 16:52:28 0.000002 0.0006 BFGS: 2475 16:52:28 0.000000 0.0003 BFGS: 2476 16:52:28 0.000000 0.0000 BFGS: 2477 16:52:28 0.000000 0.0000 Minimization converged after 2477 steps. Maximum force component: 1.1868734103789703e-09 eV/Angstrom Maximum stress component: 1.3996122410492608e-12 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 = [[0.00000000e+00 7.61647036e-01 2.50000000e-01] [0.00000000e+00 2.38352964e-01 7.50000000e-01] [5.00000000e-01 2.61647036e-01 2.50000000e-01] [5.00000000e-01 7.38352964e-01 7.50000000e-01] [3.41482149e-01 1.38122874e-16 8.04440071e-34] [6.58517851e-01 1.38122874e-16 5.00000000e-01] [8.41482149e-01 5.00000000e-01 8.01037718e-34] [1.58517851e-01 5.00000000e-01 5.00000000e-01] [6.58517851e-01 1.38122874e-16 0.00000000e+00] [3.41482149e-01 1.38122874e-16 5.00000000e-01] [1.58517851e-01 5.00000000e-01 0.00000000e+00] [8.41482149e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 8.30456371e-01 5.39388897e-01] [8.69768244e-38 1.69543629e-01 3.93888969e-02] [0.00000000e+00 8.30456371e-01 9.60611103e-01] [6.83169996e-37 1.69543629e-01 4.60611103e-01] [5.00000000e-01 3.30456371e-01 5.39388897e-01] [5.00000000e-01 6.69543629e-01 3.93888969e-02] [5.00000000e-01 3.30456371e-01 9.60611103e-01] [5.00000000e-01 6.69543629e-01 4.60611103e-01] [0.00000000e+00 5.63170746e-01 3.68329449e-01] [0.00000000e+00 4.36829254e-01 8.68329449e-01] [0.00000000e+00 5.63170746e-01 1.31670551e-01] [7.60957273e-37 4.36829254e-01 6.31670551e-01] [5.00000000e-01 6.31707457e-02 3.68329449e-01] [5.00000000e-01 9.36829254e-01 8.68329449e-01] [5.00000000e-01 6.31707457e-02 1.31670551e-01] [5.00000000e-01 9.36829254e-01 6.31670551e-01] [1.51485132e-01 6.69130207e-01 2.50000000e-01] [8.48514868e-01 3.30869793e-01 7.50000000e-01] [8.48514868e-01 6.69130207e-01 2.50000000e-01] [1.51485132e-01 3.30869793e-01 7.50000000e-01] [6.51485132e-01 1.69130207e-01 2.50000000e-01] [3.48514868e-01 8.30869793e-01 7.50000000e-01] [3.48514868e-01 1.69130207e-01 2.50000000e-01] [6.51485132e-01 8.30869793e-01 7.50000000e-01] [2.55811018e-01 4.35147531e-01 2.50000000e-01] [7.44188982e-01 5.64852469e-01 7.50000000e-01] [7.44188982e-01 4.35147531e-01 2.50000000e-01] [2.55811018e-01 5.64852469e-01 7.50000000e-01] [7.55811018e-01 9.35147531e-01 2.50000000e-01] [2.44188982e-01 6.48524691e-02 7.50000000e-01] [2.44188982e-01 9.35147531e-01 2.50000000e-01] [7.55811018e-01 6.48524691e-02 7.50000000e-01] [6.43026018e-01 1.90192511e-01 6.30753284e-01] [3.56973982e-01 8.09807489e-01 1.30753284e-01] [3.56973982e-01 1.90192511e-01 8.69246716e-01] [6.43026018e-01 8.09807489e-01 3.69246716e-01] [1.43026018e-01 6.90192511e-01 6.30753284e-01] [8.56973982e-01 3.09807489e-01 1.30753284e-01] [8.56973982e-01 6.90192511e-01 8.69246716e-01] [1.43026018e-01 3.09807489e-01 3.69246716e-01] [3.56973982e-01 8.09807489e-01 3.69246716e-01] [6.43026018e-01 1.90192511e-01 8.69246716e-01] [6.43026018e-01 8.09807489e-01 1.30753284e-01] [3.56973982e-01 1.90192511e-01 6.30753284e-01] [8.56973982e-01 3.09807489e-01 3.69246716e-01] [1.43026018e-01 6.90192511e-01 8.69246716e-01] [1.43026018e-01 3.09807489e-01 1.30753284e-01] [8.56973982e-01 6.90192511e-01 6.30753284e-01] [7.07863835e-01 3.97545347e-01 5.90247820e-01] [2.92136165e-01 6.02454653e-01 9.02478203e-02] [2.92136165e-01 3.97545347e-01 9.09752180e-01] [7.07863835e-01 6.02454653e-01 4.09752180e-01] [2.07863835e-01 8.97545347e-01 5.90247820e-01] [7.92136165e-01 1.02454653e-01 9.02478203e-02] [7.92136165e-01 8.97545347e-01 9.09752180e-01] [2.07863835e-01 1.02454653e-01 4.09752180e-01] [2.92136165e-01 6.02454653e-01 4.09752180e-01] [7.07863835e-01 3.97545347e-01 9.09752180e-01] [7.07863835e-01 6.02454653e-01 9.02478203e-02] [2.92136165e-01 3.97545347e-01 5.90247820e-01] [7.92136165e-01 1.02454653e-01 4.09752180e-01] [2.07863835e-01 8.97545347e-01 9.09752180e-01] [2.07863835e-01 1.02454653e-01 9.02478203e-02] [7.92136165e-01 8.97545347e-01 5.90247820e-01] [8.97460290e-01 8.73557933e-02 6.30498702e-01] [1.02539710e-01 9.12644207e-01 1.30498702e-01] [1.02539710e-01 8.73557933e-02 8.69501298e-01] [8.97460290e-01 9.12644207e-01 3.69501298e-01] [3.97460290e-01 5.87355793e-01 6.30498702e-01] [6.02539710e-01 4.12644207e-01 1.30498702e-01] [6.02539710e-01 5.87355793e-01 8.69501298e-01] [3.97460290e-01 4.12644207e-01 3.69501298e-01] [1.02539710e-01 9.12644207e-01 3.69501298e-01] [8.97460290e-01 8.73557933e-02 8.69501298e-01] [8.97460290e-01 9.12644207e-01 1.30498702e-01] [1.02539710e-01 8.73557933e-02 6.30498702e-01] [6.02539710e-01 4.12644207e-01 3.69501298e-01] [3.97460290e-01 5.87355793e-01 8.69501298e-01] [3.97460290e-01 4.12644207e-01 1.30498702e-01] [6.02539710e-01 5.87355793e-01 6.30498702e-01]] cellpar = Cell([[33.33289691364215, 6.235125970828156e-36, 0.0], [2.5122130542375866e-36, 24.08276822485648, 0.0], [0.0, 0.0, 23.24019940792858]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 -1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 -1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 -1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 -1.18687341e-09] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [ 0.00000000e+00 0.00000000e+00 -1.39961224e-12 0.00000000e+00 0.00000000e+00 0.00000000e+00] 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