element(s): ['O'] AFLOW prototype label: A_oP24_61_3c Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.9345', '1.0954503', '1.1286034', '0.96397784', '0.54903628', '0.82432575', '0.85504968', '0.66977468', '0.88726476', '0.74875817', '0.62965334', '0.015772569'] model name: Sim_LAMMPS_Vashishta_NakanoKaliaVashishta_1994_SiO__SM_503555646986_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O'] representative atom coordinates = [[0.96397784 0.54903628 0.82432575] [0.85504968 0.66977468 0.88726476] [0.74875817 0.62965334 0.01577257]] spacegroup = 61 cell = [[6.9345, 0, 0], [0, 7.5964, 0], [0, 0, 7.8263]] ========================================= Step Time Energy fmax BFGS: 0 17:01:12 2136.384358 694.3173 BFGS: 1 17:01:12 1476.259708 459.5493 BFGS: 2 17:01:12 1367.525517 455.6128 BFGS: 3 17:01:12 1261.652046 450.5860 BFGS: 4 17:01:12 1160.920868 433.7257 BFGS: 5 17:01:13 1032.643853 370.6712 BFGS: 6 17:01:13 976.500450 349.8229 BFGS: 7 17:01:13 932.757754 333.0862 BFGS: 8 17:01:13 890.136077 316.3827 BFGS: 9 17:01:13 847.638176 298.8568 BFGS: 10 17:01:13 811.345986 283.9525 BFGS: 11 17:01:13 781.904874 272.0139 BFGS: 12 17:01:13 754.543349 260.7890 BFGS: 13 17:01:13 727.318115 249.6099 BFGS: 14 17:01:13 700.393853 238.3812 BFGS: 15 17:01:13 673.974060 227.1977 BFGS: 16 17:01:13 648.310710 216.2213 BFGS: 17 17:01:13 623.676113 205.6265 BFGS: 18 17:01:13 600.317086 195.5671 BFGS: 19 17:01:13 578.415815 186.1556 BFGS: 20 17:01:13 558.071459 177.4551 BFGS: 21 17:01:13 539.302334 169.4829 BFGS: 22 17:01:13 522.061420 162.2195 BFGS: 23 17:01:13 506.255663 155.6202 BFGS: 24 17:01:13 491.765623 149.6271 BFGS: 25 17:01:13 478.461946 144.1785 BFGS: 26 17:01:13 466.216867 139.2108 BFGS: 27 17:01:13 454.909013 134.6655 BFGS: 28 17:01:14 444.428258 130.4900 BFGS: 29 17:01:14 434.677029 126.6384 BFGS: 30 17:01:14 425.570781 123.0711 BFGS: 31 17:01:14 417.035691 119.7538 BFGS: 32 17:01:14 409.007969 116.6573 BFGS: 33 17:01:14 401.432009 113.7562 BFGS: 34 17:01:14 394.259918 111.0287 BFGS: 35 17:01:14 387.450394 108.4564 BFGS: 36 17:01:14 380.967725 106.0231 BFGS: 37 17:01:14 374.780946 103.7151 BFGS: 38 17:01:14 368.863114 101.5204 BFGS: 39 17:01:14 363.190702 99.4286 BFGS: 40 17:01:14 357.743088 97.4305 BFGS: 41 17:01:14 352.502128 95.5182 BFGS: 42 17:01:14 347.451799 93.6847 BFGS: 43 17:01:14 342.577896 91.9237 BFGS: 44 17:01:14 337.867780 90.2298 BFGS: 45 17:01:14 333.310141 88.5980 BFGS: 46 17:01:14 328.895103 87.0240 BFGS: 47 17:01:14 324.613587 85.5040 BFGS: 48 17:01:14 320.458523 84.0349 BFGS: 49 17:01:14 316.422318 82.6134 BFGS: 50 17:01:14 312.498082 81.2365 BFGS: 51 17:01:14 308.679554 79.9017 BFGS: 52 17:01:14 304.960987 78.6070 BFGS: 53 17:01:14 301.337149 77.3498 BFGS: 54 17:01:14 297.803242 76.1279 BFGS: 55 17:01:15 294.354856 74.9394 BFGS: 56 17:01:15 290.987926 73.7827 BFGS: 57 17:01:15 287.698702 72.6560 BFGS: 58 17:01:15 284.483690 71.5580 BFGS: 59 17:01:15 281.339683 70.4873 BFGS: 60 17:01:15 278.263675 69.4426 BFGS: 61 17:01:15 275.252868 68.4229 BFGS: 62 17:01:15 272.304654 67.4269 BFGS: 63 17:01:15 269.416598 66.4539 BFGS: 64 17:01:15 266.586433 65.5041 BFGS: 65 17:01:15 263.812817 64.5756 BFGS: 66 17:01:15 261.093646 63.6677 BFGS: 67 17:01:15 258.426903 62.7794 BFGS: 68 17:01:15 255.810629 61.9101 BFGS: 69 17:01:15 253.242877 61.0590 BFGS: 70 17:01:15 250.722034 60.2255 BFGS: 71 17:01:16 248.246566 59.4096 BFGS: 72 17:01:16 245.814985 58.6111 BFGS: 73 17:01:16 243.425950 57.8284 BFGS: 74 17:01:16 241.078164 57.0610 BFGS: 75 17:01:16 238.770397 56.3084 BFGS: 76 17:01:16 236.501476 55.5702 BFGS: 77 17:01:16 234.270284 54.8458 BFGS: 78 17:01:16 232.075756 54.1348 BFGS: 79 17:01:16 229.916874 53.4368 BFGS: 80 17:01:16 227.792669 52.7513 BFGS: 81 17:01:16 225.702221 52.0782 BFGS: 82 17:01:17 223.644635 51.4170 BFGS: 83 17:01:17 221.619054 50.7674 BFGS: 84 17:01:17 219.624656 50.1290 BFGS: 85 17:01:17 217.660653 49.5015 BFGS: 86 17:01:17 215.726287 48.8848 BFGS: 87 17:01:17 213.820831 48.2782 BFGS: 88 17:01:17 211.943645 47.6815 BFGS: 89 17:01:17 210.094145 47.0947 BFGS: 90 17:01:17 208.271675 46.5175 BFGS: 91 17:01:17 206.475601 45.9498 BFGS: 92 17:01:17 204.705313 45.3912 BFGS: 93 17:01:17 202.960222 44.8416 BFGS: 94 17:01:18 201.239759 44.3007 BFGS: 95 17:01:18 199.543373 43.7684 BFGS: 96 17:01:18 197.870534 43.2444 BFGS: 97 17:01:18 196.220727 42.7285 BFGS: 98 17:01:18 194.593455 42.2206 BFGS: 99 17:01:18 192.988230 41.7201 BFGS: 100 17:01:18 191.404885 41.2274 BFGS: 101 17:01:18 189.842951 40.7422 BFGS: 102 17:01:18 188.301973 40.2646 BFGS: 103 17:01:18 186.781508 39.7942 BFGS: 104 17:01:19 185.281130 39.3309 BFGS: 105 17:01:19 183.800422 38.8745 BFGS: 106 17:01:19 182.338981 38.4250 BFGS: 107 17:01:19 180.896415 37.9822 BFGS: 108 17:01:19 179.472344 37.5459 BFGS: 109 17:01:19 178.066397 37.1160 BFGS: 110 17:01:19 176.678214 36.6924 BFGS: 111 17:01:19 175.307445 36.2749 BFGS: 112 17:01:19 173.953749 35.8635 BFGS: 113 17:01:19 172.616795 35.4580 BFGS: 114 17:01:19 171.296259 35.0583 BFGS: 115 17:01:19 169.991826 34.6643 BFGS: 116 17:01:20 168.703190 34.2759 BFGS: 117 17:01:20 167.430051 33.8929 BFGS: 118 17:01:20 166.172119 33.5154 BFGS: 119 17:01:20 164.929108 33.1431 BFGS: 120 17:01:20 163.700741 32.7760 BFGS: 121 17:01:20 162.486749 32.4140 BFGS: 122 17:01:20 161.286866 32.0571 BFGS: 123 17:01:21 160.100835 31.7050 BFGS: 124 17:01:21 158.928405 31.3577 BFGS: 125 17:01:21 157.769329 31.0152 BFGS: 126 17:01:21 156.623367 30.6774 BFGS: 127 17:01:21 155.490286 30.3441 BFGS: 128 17:01:21 154.369856 30.0154 BFGS: 129 17:01:21 153.261853 29.6911 BFGS: 130 17:01:21 152.166059 29.3711 BFGS: 131 17:01:21 151.082259 29.0554 BFGS: 132 17:01:21 150.010237 28.7440 BFGS: 133 17:01:21 148.950028 28.4367 BFGS: 134 17:01:21 147.901416 28.1337 BFGS: 135 17:01:21 146.864194 27.8348 BFGS: 136 17:01:21 145.838159 27.5399 BFGS: 137 17:01:21 144.823112 27.2490 BFGS: 138 17:01:22 143.818859 26.9619 BFGS: 139 17:01:22 142.825212 26.6788 BFGS: 140 17:01:22 141.841985 26.3993 BFGS: 141 17:01:22 140.868999 26.1236 BFGS: 142 17:01:22 139.906077 25.8516 BFGS: 143 17:01:22 138.953043 25.5831 BFGS: 144 17:01:22 138.009742 25.3185 BFGS: 145 17:01:22 137.076062 25.0580 BFGS: 146 17:01:22 136.151839 24.8009 BFGS: 147 17:01:22 135.236912 24.5473 BFGS: 148 17:01:22 134.331122 24.2970 BFGS: 149 17:01:22 133.434312 24.0501 BFGS: 150 17:01:22 132.546332 23.8065 BFGS: 151 17:01:22 131.667033 23.5661 BFGS: 152 17:01:22 130.796270 23.3288 BFGS: 153 17:01:22 129.933904 23.0947 BFGS: 154 17:01:22 129.079795 22.8636 BFGS: 155 17:01:22 128.233808 22.6355 BFGS: 156 17:01:23 127.395813 22.4104 BFGS: 157 17:01:23 126.565680 22.1882 BFGS: 158 17:01:23 125.743284 21.9689 BFGS: 159 17:01:23 124.928501 21.7524 BFGS: 160 17:01:23 124.121211 21.5386 BFGS: 161 17:01:23 123.321298 21.3276 BFGS: 162 17:01:23 122.528645 21.1192 BFGS: 163 17:01:23 121.743142 20.9135 BFGS: 164 17:01:23 120.964679 20.7104 BFGS: 165 17:01:23 120.193147 20.5099 BFGS: 166 17:01:23 119.428443 20.3118 BFGS: 167 17:01:23 118.670464 20.1162 BFGS: 168 17:01:23 117.919110 19.9231 BFGS: 169 17:01:23 117.174283 19.7324 BFGS: 170 17:01:23 116.435887 19.5440 BFGS: 171 17:01:23 115.703828 19.3579 BFGS: 172 17:01:23 114.978013 19.1741 BFGS: 173 17:01:23 114.258344 18.9926 BFGS: 174 17:01:23 113.544726 18.8134 BFGS: 175 17:01:23 112.837066 18.6365 BFGS: 176 17:01:23 112.135281 18.4617 BFGS: 177 17:01:24 111.439289 18.2890 BFGS: 178 17:01:24 110.749011 18.1184 BFGS: 179 17:01:24 110.064367 17.9498 BFGS: 180 17:01:24 109.385282 17.7832 BFGS: 181 17:01:24 108.711679 17.6187 BFGS: 182 17:01:24 108.043469 17.4560 BFGS: 183 17:01:24 107.380653 17.2953 BFGS: 184 17:01:24 106.723188 17.1366 BFGS: 185 17:01:24 106.071000 16.9797 BFGS: 186 17:01:24 105.424020 16.8248 BFGS: 187 17:01:24 104.782179 16.6716 BFGS: 188 17:01:24 104.145408 16.5203 BFGS: 189 17:01:24 103.513628 16.3706 BFGS: 190 17:01:24 102.886751 16.2230 BFGS: 191 17:01:24 102.264666 16.0773 BFGS: 192 17:01:24 101.647300 15.9333 BFGS: 193 17:01:24 101.034593 15.7910 BFGS: 194 17:01:24 100.426490 15.6504 BFGS: 195 17:01:24 99.822933 15.5114 BFGS: 196 17:01:24 99.223860 15.3740 BFGS: 197 17:01:24 98.629221 15.2385 BFGS: 198 17:01:24 98.038937 15.1053 BFGS: 199 17:01:24 97.452972 14.9735 BFGS: 200 17:01:24 96.871277 14.8434 BFGS: 201 17:01:24 96.293801 14.7146 BFGS: 202 17:01:24 95.720498 14.5874 BFGS: 203 17:01:24 95.151305 14.4616 BFGS: 204 17:01:24 94.586239 14.3372 BFGS: 205 17:01:24 94.025287 14.2143 BFGS: 206 17:01:24 93.468402 14.0928 BFGS: 207 17:01:24 92.915536 13.9727 BFGS: 208 17:01:24 92.366644 13.8539 BFGS: 209 17:01:24 91.821678 13.7366 BFGS: 210 17:01:24 91.280597 13.6205 BFGS: 211 17:01:25 90.743355 13.5058 BFGS: 212 17:01:25 90.209910 13.3923 BFGS: 213 17:01:25 89.680222 13.2801 BFGS: 214 17:01:25 89.154248 13.1692 BFGS: 215 17:01:25 88.631944 13.0595 BFGS: 216 17:01:25 88.113287 12.9510 BFGS: 217 17:01:25 87.598302 12.8438 BFGS: 218 17:01:25 87.086949 12.7377 BFGS: 219 17:01:25 86.579187 12.6329 BFGS: 220 17:01:25 86.074978 12.5292 BFGS: 221 17:01:25 85.574283 12.4267 BFGS: 222 17:01:25 85.077064 12.3254 BFGS: 223 17:01:25 84.583286 12.2251 BFGS: 224 17:01:25 84.092911 12.1260 BFGS: 225 17:01:25 83.605899 12.0284 BFGS: 226 17:01:25 83.122176 11.9323 BFGS: 227 17:01:25 82.641699 11.8370 BFGS: 228 17:01:25 82.164441 11.7427 BFGS: 229 17:01:25 81.690369 11.6495 BFGS: 230 17:01:25 81.219450 11.5573 BFGS: 231 17:01:25 80.751653 11.4662 BFGS: 232 17:01:25 80.286947 11.3760 BFGS: 233 17:01:25 79.825303 11.2868 BFGS: 234 17:01:25 79.366690 11.1985 BFGS: 235 17:01:25 78.911080 11.1112 BFGS: 236 17:01:25 78.458445 11.0248 BFGS: 237 17:01:25 78.008756 10.9393 BFGS: 238 17:01:25 77.561987 10.8547 BFGS: 239 17:01:25 77.118111 10.7710 BFGS: 240 17:01:25 76.677103 10.6882 BFGS: 241 17:01:25 76.238936 10.6062 BFGS: 242 17:01:25 75.803585 10.5251 BFGS: 243 17:01:25 75.371026 10.4448 BFGS: 244 17:01:25 74.941236 10.3653 BFGS: 245 17:01:25 74.514186 10.2866 BFGS: 246 17:01:26 74.089830 10.2087 BFGS: 247 17:01:26 73.668186 10.1316 BFGS: 248 17:01:26 73.249241 10.0554 BFGS: 249 17:01:26 72.832968 9.9800 BFGS: 250 17:01:26 72.419344 9.9054 BFGS: 251 17:01:26 72.008343 9.8316 BFGS: 252 17:01:26 71.599941 9.7585 BFGS: 253 17:01:26 71.194117 9.6863 BFGS: 254 17:01:26 70.790847 9.6148 BFGS: 255 17:01:26 70.390108 9.5440 BFGS: 256 17:01:26 69.991880 9.4739 BFGS: 257 17:01:26 69.596140 9.4046 BFGS: 258 17:01:26 69.202868 9.3360 BFGS: 259 17:01:26 68.812030 9.2679 BFGS: 260 17:01:26 68.423610 9.2005 BFGS: 261 17:01:26 68.037588 9.1338 BFGS: 262 17:01:26 67.653946 9.0678 BFGS: 263 17:01:26 67.272665 9.0024 BFGS: 264 17:01:26 66.893717 8.9376 BFGS: 265 17:01:26 66.517085 8.8735 BFGS: 266 17:01:26 66.142751 8.8191 BFGS: 267 17:01:26 65.770697 8.7653 BFGS: 268 17:01:26 65.400907 8.7118 BFGS: 269 17:01:26 65.033364 8.6586 BFGS: 270 17:01:26 64.668049 8.6056 BFGS: 271 17:01:26 64.304934 8.5529 BFGS: 272 17:01:27 63.944000 8.5005 BFGS: 273 17:01:27 63.585230 8.4484 BFGS: 274 17:01:27 63.228610 8.3965 BFGS: 275 17:01:27 62.874124 8.3449 BFGS: 276 17:01:27 62.521756 8.2936 BFGS: 277 17:01:27 62.171491 8.2426 BFGS: 278 17:01:27 61.823315 8.1919 BFGS: 279 17:01:27 61.477212 8.1414 BFGS: 280 17:01:27 61.133169 8.0912 BFGS: 281 17:01:27 60.791171 8.0413 BFGS: 282 17:01:28 60.451204 7.9916 BFGS: 283 17:01:28 60.113254 7.9422 BFGS: 284 17:01:28 59.777298 7.8931 BFGS: 285 17:01:28 59.443325 7.8443 BFGS: 286 17:01:28 59.111321 7.7958 BFGS: 287 17:01:29 58.781272 7.7475 BFGS: 288 17:01:29 58.453165 7.6995 BFGS: 289 17:01:29 58.126987 7.6518 BFGS: 290 17:01:29 57.802726 7.6043 BFGS: 291 17:01:29 57.480367 7.5571 BFGS: 292 17:01:29 57.159899 7.5103 BFGS: 293 17:01:29 56.841309 7.4636 BFGS: 294 17:01:29 56.524586 7.4173 BFGS: 295 17:01:29 56.209716 7.3712 BFGS: 296 17:01:29 55.896687 7.3254 BFGS: 297 17:01:30 55.585489 7.2798 BFGS: 298 17:01:30 55.276109 7.2345 BFGS: 299 17:01:30 54.968536 7.1895 BFGS: 300 17:01:30 54.662758 7.1448 BFGS: 301 17:01:30 54.358764 7.1003 BFGS: 302 17:01:30 54.056543 7.0560 BFGS: 303 17:01:30 53.756084 7.0121 BFGS: 304 17:01:30 53.457376 6.9684 BFGS: 305 17:01:31 53.160407 6.9249 BFGS: 306 17:01:31 52.865169 6.8818 BFGS: 307 17:01:31 52.571649 6.8388 BFGS: 308 17:01:31 52.279837 6.7962 BFGS: 309 17:01:31 51.989724 6.7538 BFGS: 310 17:01:31 51.701298 6.7116 BFGS: 311 17:01:31 51.414551 6.6697 BFGS: 312 17:01:32 51.129468 6.6281 BFGS: 313 17:01:32 50.846029 6.5867 BFGS: 314 17:01:32 50.564230 6.5456 BFGS: 315 17:01:32 50.284061 6.5047 BFGS: 316 17:01:32 50.005512 6.4641 BFGS: 317 17:01:32 49.728575 6.4237 BFGS: 318 17:01:32 49.453239 6.3837 BFGS: 319 17:01:32 49.179496 6.3438 BFGS: 320 17:01:33 48.907336 6.3042 BFGS: 321 17:01:33 48.636750 6.2649 BFGS: 322 17:01:33 48.367729 6.2259 BFGS: 323 17:01:33 48.100265 6.1870 BFGS: 324 17:01:33 47.834349 6.1485 BFGS: 325 17:01:33 47.569952 6.1108 BFGS: 326 17:01:33 47.307058 6.0733 BFGS: 327 17:01:34 47.045657 6.0360 BFGS: 328 17:01:34 46.785736 5.9990 BFGS: 329 17:01:34 46.527266 5.9622 BFGS: 330 17:01:34 46.270237 5.9257 BFGS: 331 17:01:34 46.014640 5.8895 BFGS: 332 17:01:34 45.760466 5.8534 BFGS: 333 17:01:34 45.507709 5.8176 BFGS: 334 17:01:35 45.256359 5.7821 BFGS: 335 17:01:35 45.006408 5.7468 BFGS: 336 17:01:35 44.757849 5.7117 BFGS: 337 17:01:35 44.510674 5.6768 BFGS: 338 17:01:36 44.264874 5.6422 BFGS: 339 17:01:36 44.020442 5.6078 BFGS: 340 17:01:36 43.777370 5.5737 BFGS: 341 17:01:36 43.535645 5.5398 BFGS: 342 17:01:36 43.295253 5.5061 BFGS: 343 17:01:36 43.056192 5.4727 BFGS: 344 17:01:36 42.818455 5.4395 BFGS: 345 17:01:36 42.582034 5.4065 BFGS: 346 17:01:36 42.346921 5.3738 BFGS: 347 17:01:37 42.113109 5.3413 BFGS: 348 17:01:37 41.880590 5.3090 BFGS: 349 17:01:37 41.649356 5.2770 BFGS: 350 17:01:37 41.419401 5.2451 BFGS: 351 17:01:37 41.190717 5.2135 BFGS: 352 17:01:37 40.963297 5.1822 BFGS: 353 17:01:37 40.737133 5.1510 BFGS: 354 17:01:37 40.512218 5.1201 BFGS: 355 17:01:37 40.288544 5.0894 BFGS: 356 17:01:37 40.066106 5.0589 BFGS: 357 17:01:37 39.844896 5.0286 BFGS: 358 17:01:37 39.624906 4.9986 BFGS: 359 17:01:37 39.406130 4.9687 BFGS: 360 17:01:37 39.188561 4.9391 BFGS: 361 17:01:37 38.972192 4.9097 BFGS: 362 17:01:38 38.757016 4.8805 BFGS: 363 17:01:38 38.543026 4.8515 BFGS: 364 17:01:38 38.330216 4.8227 BFGS: 365 17:01:38 38.118579 4.7941 BFGS: 366 17:01:38 37.908109 4.7657 BFGS: 367 17:01:38 37.698798 4.7375 BFGS: 368 17:01:38 37.490640 4.7096 BFGS: 369 17:01:38 37.283629 4.6818 BFGS: 370 17:01:38 37.077758 4.6542 BFGS: 371 17:01:38 36.873021 4.6268 BFGS: 372 17:01:39 36.669412 4.5996 BFGS: 373 17:01:39 36.466924 4.5726 BFGS: 374 17:01:39 36.265550 4.5458 BFGS: 375 17:01:39 36.065285 4.5192 BFGS: 376 17:01:39 35.866122 4.4928 BFGS: 377 17:01:39 35.668056 4.4666 BFGS: 378 17:01:39 35.471080 4.4405 BFGS: 379 17:01:39 35.275188 4.4147 BFGS: 380 17:01:39 35.080374 4.3890 BFGS: 381 17:01:39 34.886632 4.3635 BFGS: 382 17:01:39 34.693956 4.3382 BFGS: 383 17:01:39 34.502340 4.3131 BFGS: 384 17:01:39 34.311778 4.2881 BFGS: 385 17:01:39 34.122247 4.2633 BFGS: 386 17:01:40 33.933778 4.2388 BFGS: 387 17:01:40 33.746366 4.2144 BFGS: 388 17:01:40 33.560003 4.1902 BFGS: 389 17:01:40 33.374682 4.1662 BFGS: 390 17:01:40 33.190398 4.1423 BFGS: 391 17:01:40 33.007144 4.1187 BFGS: 392 17:01:40 32.824914 4.0952 BFGS: 393 17:01:40 32.643700 4.0719 BFGS: 394 17:01:40 32.463498 4.0488 BFGS: 395 17:01:40 32.284300 4.0259 BFGS: 396 17:01:40 32.106101 4.0031 BFGS: 397 17:01:40 31.928895 3.9806 BFGS: 398 17:01:40 31.752675 3.9581 BFGS: 399 17:01:40 31.577435 3.9359 BFGS: 400 17:01:40 31.403170 3.9138 BFGS: 401 17:01:41 31.229873 3.8919 BFGS: 402 17:01:41 31.057538 3.8702 BFGS: 403 17:01:41 30.886160 3.8486 BFGS: 404 17:01:41 30.715733 3.8272 BFGS: 405 17:01:41 30.546251 3.8060 BFGS: 406 17:01:41 30.377708 3.7849 BFGS: 407 17:01:41 30.210099 3.7639 BFGS: 408 17:01:41 30.043419 3.7432 BFGS: 409 17:01:41 29.877660 3.7226 BFGS: 410 17:01:41 29.712818 3.7021 BFGS: 411 17:01:41 29.548888 3.6818 BFGS: 412 17:01:41 29.385864 3.6616 BFGS: 413 17:01:41 29.223739 3.6416 BFGS: 414 17:01:41 29.062511 3.6218 BFGS: 415 17:01:41 28.902167 3.6021 BFGS: 416 17:01:41 28.742687 3.5825 BFGS: 417 17:01:42 28.584064 3.5631 BFGS: 418 17:01:42 28.426293 3.5438 BFGS: 419 17:01:42 28.269369 3.5247 BFGS: 420 17:01:42 28.113286 3.5058 BFGS: 421 17:01:42 27.958039 3.4869 BFGS: 422 17:01:42 27.803624 3.4682 BFGS: 423 17:01:42 27.650035 3.4497 BFGS: 424 17:01:43 27.497268 3.4313 BFGS: 425 17:01:43 27.345317 3.4130 BFGS: 426 17:01:43 27.194178 3.3949 BFGS: 427 17:01:43 27.043846 3.3769 BFGS: 428 17:01:43 26.894316 3.3590 BFGS: 429 17:01:43 26.745583 3.3413 BFGS: 430 17:01:43 26.597643 3.3237 BFGS: 431 17:01:43 26.450491 3.3062 BFGS: 432 17:01:43 26.304121 3.2889 BFGS: 433 17:01:44 26.158531 3.2717 BFGS: 434 17:01:44 26.013714 3.2546 BFGS: 435 17:01:44 25.869667 3.2377 BFGS: 436 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0.8509 BFGS: 774 17:02:00 2.698854 0.8475 BFGS: 775 17:02:01 2.676301 0.8440 BFGS: 776 17:02:01 2.653915 0.8406 BFGS: 777 17:02:01 2.631694 0.8372 BFGS: 778 17:02:01 2.609637 0.8338 BFGS: 779 17:02:01 2.587745 0.8304 BFGS: 780 17:02:01 2.566016 0.8270 BFGS: 781 17:02:01 2.544450 0.8236 BFGS: 782 17:02:01 2.523046 0.8202 BFGS: 783 17:02:01 2.501804 0.8169 BFGS: 784 17:02:01 2.480724 0.8135 BFGS: 785 17:02:01 2.459804 0.8101 BFGS: 786 17:02:01 2.439045 0.8068 BFGS: 787 17:02:01 2.418445 0.8034 BFGS: 788 17:02:01 2.398004 0.8001 BFGS: 789 17:02:01 2.377722 0.7966 BFGS: 790 17:02:01 2.357591 0.7924 BFGS: 791 17:02:01 2.337613 0.7881 BFGS: 792 17:02:01 2.317786 0.7839 BFGS: 793 17:02:01 2.298110 0.7797 BFGS: 794 17:02:01 2.278585 0.7756 BFGS: 795 17:02:01 2.259210 0.7714 BFGS: 796 17:02:02 2.239984 0.7673 BFGS: 797 17:02:02 2.220907 0.7631 BFGS: 798 17:02:02 2.201979 0.7590 BFGS: 799 17:02:02 2.183199 0.7549 BFGS: 800 17:02:02 2.164566 0.7508 BFGS: 801 17:02:02 2.146080 0.7467 BFGS: 802 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0.6338 BFGS: 831 17:02:03 1.657088 0.6301 BFGS: 832 17:02:03 1.642862 0.6264 BFGS: 833 17:02:03 1.628760 0.6227 BFGS: 834 17:02:03 1.614784 0.6190 BFGS: 835 17:02:03 1.600932 0.6154 BFGS: 836 17:02:03 1.587204 0.6117 BFGS: 837 17:02:03 1.573599 0.6090 BFGS: 838 17:02:03 1.560117 0.6068 BFGS: 839 17:02:03 1.546742 0.6046 BFGS: 840 17:02:03 1.533453 0.6024 BFGS: 841 17:02:03 1.520250 0.6002 BFGS: 842 17:02:03 1.507133 0.5980 BFGS: 843 17:02:03 1.494101 0.5959 BFGS: 844 17:02:03 1.481155 0.5937 BFGS: 845 17:02:03 1.468293 0.5916 BFGS: 846 17:02:03 1.455516 0.5894 BFGS: 847 17:02:03 1.442824 0.5873 BFGS: 848 17:02:03 1.430216 0.5852 BFGS: 849 17:02:03 1.417692 0.5830 BFGS: 850 17:02:03 1.405252 0.5809 BFGS: 851 17:02:04 1.392895 0.5788 BFGS: 852 17:02:04 1.380622 0.5767 BFGS: 853 17:02:04 1.368433 0.5746 BFGS: 854 17:02:04 1.356326 0.5726 BFGS: 855 17:02:04 1.344302 0.5705 BFGS: 856 17:02:04 1.332361 0.5684 BFGS: 857 17:02:04 1.320502 0.5663 BFGS: 858 17:02:04 1.308725 0.5643 BFGS: 859 17:02:04 1.297031 0.5622 BFGS: 860 17:02:04 1.285418 0.5602 BFGS: 861 17:02:04 1.273887 0.5581 BFGS: 862 17:02:04 1.262437 0.5561 BFGS: 863 17:02:04 1.251068 0.5541 BFGS: 864 17:02:04 1.239780 0.5521 BFGS: 865 17:02:04 1.228573 0.5501 BFGS: 866 17:02:04 1.217447 0.5481 BFGS: 867 17:02:04 1.206401 0.5461 BFGS: 868 17:02:04 1.195435 0.5441 BFGS: 869 17:02:04 1.184549 0.5421 BFGS: 870 17:02:04 1.173742 0.5401 BFGS: 871 17:02:04 1.163016 0.5381 BFGS: 872 17:02:04 1.152369 0.5362 BFGS: 873 17:02:05 1.141800 0.5342 BFGS: 874 17:02:05 1.131311 0.5322 BFGS: 875 17:02:05 1.120901 0.5303 BFGS: 876 17:02:05 1.110569 0.5283 BFGS: 877 17:02:05 1.100316 0.5264 BFGS: 878 17:02:05 1.090141 0.5245 BFGS: 879 17:02:05 1.080043 0.5225 BFGS: 880 17:02:05 1.070024 0.5206 BFGS: 881 17:02:05 1.060083 0.5187 BFGS: 882 17:02:05 1.050218 0.5168 BFGS: 883 17:02:05 1.040431 0.5149 BFGS: 884 17:02:05 1.030721 0.5130 BFGS: 885 17:02:05 1.021088 0.5111 BFGS: 886 17:02:05 1.011530 0.5086 BFGS: 887 17:02:05 1.002043 0.5062 BFGS: 888 17:02:05 0.992629 0.5037 BFGS: 889 17:02:05 0.983287 0.5013 BFGS: 890 17:02:05 0.974017 0.4988 BFGS: 891 17:02:05 0.964819 0.4964 BFGS: 892 17:02:05 0.955692 0.4940 BFGS: 893 17:02:05 0.946637 0.4916 BFGS: 894 17:02:06 0.937654 0.4892 BFGS: 895 17:02:06 0.928742 0.4868 BFGS: 896 17:02:06 0.919901 0.4845 BFGS: 897 17:02:06 0.911130 0.4821 BFGS: 898 17:02:06 0.902431 0.4798 BFGS: 899 17:02:06 0.893802 0.4774 BFGS: 900 17:02:06 0.885243 0.4751 BFGS: 901 17:02:06 0.876755 0.4728 BFGS: 902 17:02:06 0.868337 0.4705 BFGS: 903 17:02:06 0.859989 0.4682 BFGS: 904 17:02:06 0.851711 0.4659 BFGS: 905 17:02:06 0.843502 0.4636 BFGS: 906 17:02:06 0.835363 0.4613 BFGS: 907 17:02:06 0.827293 0.4592 BFGS: 908 17:02:06 0.819293 0.4572 BFGS: 909 17:02:06 0.811361 0.4552 BFGS: 910 17:02:06 0.803498 0.4532 BFGS: 911 17:02:06 0.795705 0.4512 BFGS: 912 17:02:06 0.787979 0.4493 BFGS: 913 17:02:06 0.780322 0.4473 BFGS: 914 17:02:06 0.772734 0.4453 BFGS: 915 17:02:06 0.765213 0.4433 BFGS: 916 17:02:06 0.757761 0.4414 BFGS: 917 17:02:06 0.750376 0.4394 BFGS: 918 17:02:06 0.743059 0.4375 BFGS: 919 17:02:06 0.735810 0.4355 BFGS: 920 17:02:06 0.728628 0.4335 BFGS: 921 17:02:06 0.721513 0.4316 BFGS: 922 17:02:06 0.714465 0.4296 BFGS: 923 17:02:07 0.707484 0.4277 BFGS: 924 17:02:07 0.700570 0.4257 BFGS: 925 17:02:07 0.693722 0.4238 BFGS: 926 17:02:07 0.686941 0.4219 BFGS: 927 17:02:07 0.680226 0.4199 BFGS: 928 17:02:07 0.673578 0.4180 BFGS: 929 17:02:07 0.666995 0.4160 BFGS: 930 17:02:07 0.660478 0.4141 BFGS: 931 17:02:07 0.654027 0.4122 BFGS: 932 17:02:07 0.647642 0.4103 BFGS: 933 17:02:07 0.641321 0.4083 BFGS: 934 17:02:07 0.635066 0.4064 BFGS: 935 17:02:07 0.628876 0.4045 BFGS: 936 17:02:07 0.622751 0.4026 BFGS: 937 17:02:07 0.616691 0.4007 BFGS: 938 17:02:07 0.610696 0.3987 BFGS: 939 17:02:07 0.604764 0.3968 BFGS: 940 17:02:07 0.598898 0.3949 BFGS: 941 17:02:07 0.593095 0.3930 BFGS: 942 17:02:07 0.587356 0.3911 BFGS: 943 17:02:07 0.581681 0.3892 BFGS: 944 17:02:07 0.576070 0.3873 BFGS: 945 17:02:07 0.570523 0.3854 BFGS: 946 17:02:07 0.565038 0.3835 BFGS: 947 17:02:07 0.559617 0.3816 BFGS: 948 17:02:07 0.554259 0.3797 BFGS: 949 17:02:07 0.548964 0.3778 BFGS: 950 17:02:07 0.543732 0.3760 BFGS: 951 17:02:07 0.538562 0.3741 BFGS: 952 17:02:07 0.533454 0.3722 BFGS: 953 17:02:07 0.528409 0.3703 BFGS: 954 17:02:08 0.523426 0.3684 BFGS: 955 17:02:08 0.518505 0.3665 BFGS: 956 17:02:08 0.513645 0.3647 BFGS: 957 17:02:08 0.508847 0.3628 BFGS: 958 17:02:08 0.504111 0.3609 BFGS: 959 17:02:08 0.499436 0.3590 BFGS: 960 17:02:08 0.494822 0.3572 BFGS: 961 17:02:08 0.490263 0.3553 BFGS: 962 17:02:08 0.485730 0.3534 BFGS: 963 17:02:08 0.481220 0.3515 BFGS: 964 17:02:08 0.476732 0.3497 BFGS: 965 17:02:08 0.472266 0.3478 BFGS: 966 17:02:08 0.467822 0.3460 BFGS: 967 17:02:08 0.463401 0.3441 BFGS: 968 17:02:08 0.459002 0.3423 BFGS: 969 17:02:08 0.454626 0.3404 BFGS: 970 17:02:08 0.450271 0.3386 BFGS: 971 17:02:08 0.445939 0.3367 BFGS: 972 17:02:08 0.441629 0.3349 BFGS: 973 17:02:08 0.437342 0.3330 BFGS: 974 17:02:08 0.433077 0.3312 BFGS: 975 17:02:08 0.428833 0.3294 BFGS: 976 17:02:08 0.424612 0.3276 BFGS: 977 17:02:08 0.420414 0.3257 BFGS: 978 17:02:08 0.416237 0.3239 BFGS: 979 17:02:08 0.412082 0.3221 BFGS: 980 17:02:08 0.407950 0.3203 BFGS: 981 17:02:08 0.403840 0.3185 BFGS: 982 17:02:08 0.399752 0.3167 BFGS: 983 17:02:09 0.395686 0.3148 BFGS: 984 17:02:09 0.391642 0.3130 BFGS: 985 17:02:09 0.387620 0.3112 BFGS: 986 17:02:09 0.383620 0.3094 BFGS: 987 17:02:09 0.379642 0.3076 BFGS: 988 17:02:09 0.375687 0.3058 BFGS: 989 17:02:09 0.371753 0.3041 BFGS: 990 17:02:09 0.367841 0.3023 BFGS: 991 17:02:09 0.363952 0.3005 BFGS: 992 17:02:09 0.360084 0.2987 BFGS: 993 17:02:09 0.356238 0.2969 BFGS: 994 17:02:09 0.352414 0.2951 BFGS: 995 17:02:09 0.348612 0.2934 BFGS: 996 17:02:09 0.344832 0.2916 BFGS: 997 17:02:09 0.341074 0.2898 BFGS: 998 17:02:09 0.337337 0.2881 BFGS: 999 17:02:09 0.333623 0.2863 BFGS: 1000 17:02:09 0.329930 0.2845 BFGS: 1001 17:02:09 0.326259 0.2828 BFGS: 1002 17:02:09 0.322610 0.2810 BFGS: 1003 17:02:09 0.318983 0.2793 BFGS: 1004 17:02:09 0.315378 0.2775 BFGS: 1005 17:02:09 0.311794 0.2758 BFGS: 1006 17:02:09 0.308232 0.2740 BFGS: 1007 17:02:09 0.304692 0.2723 BFGS: 1008 17:02:09 0.301173 0.2706 BFGS: 1009 17:02:09 0.297676 0.2688 BFGS: 1010 17:02:09 0.294201 0.2671 BFGS: 1011 17:02:10 0.290747 0.2654 BFGS: 1012 17:02:10 0.287315 0.2636 BFGS: 1013 17:02:10 0.283905 0.2619 BFGS: 1014 17:02:10 0.280516 0.2602 BFGS: 1015 17:02:10 0.277149 0.2585 BFGS: 1016 17:02:10 0.273803 0.2568 BFGS: 1017 17:02:10 0.270479 0.2550 BFGS: 1018 17:02:10 0.267176 0.2533 BFGS: 1019 17:02:10 0.263895 0.2516 BFGS: 1020 17:02:10 0.260636 0.2499 BFGS: 1021 17:02:10 0.257397 0.2482 BFGS: 1022 17:02:10 0.254180 0.2465 BFGS: 1023 17:02:10 0.250985 0.2448 BFGS: 1024 17:02:10 0.247811 0.2431 BFGS: 1025 17:02:10 0.244658 0.2414 BFGS: 1026 17:02:10 0.241527 0.2397 BFGS: 1027 17:02:10 0.238417 0.2380 BFGS: 1028 17:02:10 0.235329 0.2364 BFGS: 1029 17:02:10 0.232261 0.2347 BFGS: 1030 17:02:10 0.229215 0.2330 BFGS: 1031 17:02:10 0.226191 0.2313 BFGS: 1032 17:02:10 0.223187 0.2296 BFGS: 1033 17:02:10 0.220205 0.2280 BFGS: 1034 17:02:10 0.217244 0.2263 BFGS: 1035 17:02:10 0.214304 0.2246 BFGS: 1036 17:02:10 0.211385 0.2230 BFGS: 1037 17:02:10 0.208487 0.2213 BFGS: 1038 17:02:10 0.205611 0.2197 BFGS: 1039 17:02:10 0.202755 0.2180 BFGS: 1040 17:02:10 0.199921 0.2163 BFGS: 1041 17:02:10 0.197107 0.2147 BFGS: 1042 17:02:10 0.194315 0.2130 BFGS: 1043 17:02:10 0.191544 0.2114 BFGS: 1044 17:02:11 0.188793 0.2098 BFGS: 1045 17:02:11 0.186064 0.2081 BFGS: 1046 17:02:11 0.183355 0.2065 BFGS: 1047 17:02:11 0.180668 0.2048 BFGS: 1048 17:02:11 0.178001 0.2032 BFGS: 1049 17:02:11 0.175356 0.2016 BFGS: 1050 17:02:11 0.172731 0.1999 BFGS: 1051 17:02:11 0.170127 0.1983 BFGS: 1052 17:02:11 0.167543 0.1967 BFGS: 1053 17:02:11 0.164981 0.1951 BFGS: 1054 17:02:11 0.162439 0.1934 BFGS: 1055 17:02:11 0.159918 0.1918 BFGS: 1056 17:02:11 0.157418 0.1902 BFGS: 1057 17:02:11 0.154938 0.1886 BFGS: 1058 17:02:11 0.152479 0.1870 BFGS: 1059 17:02:11 0.150041 0.1854 BFGS: 1060 17:02:11 0.147624 0.1838 BFGS: 1061 17:02:11 0.145227 0.1822 BFGS: 1062 17:02:11 0.142850 0.1806 BFGS: 1063 17:02:11 0.140494 0.1790 BFGS: 1064 17:02:11 0.138159 0.1774 BFGS: 1065 17:02:11 0.135844 0.1758 BFGS: 1066 17:02:11 0.133550 0.1742 BFGS: 1067 17:02:11 0.131276 0.1726 BFGS: 1068 17:02:11 0.129023 0.1710 BFGS: 1069 17:02:11 0.126790 0.1694 BFGS: 1070 17:02:11 0.124578 0.1679 BFGS: 1071 17:02:11 0.122385 0.1663 BFGS: 1072 17:02:11 0.120214 0.1647 BFGS: 1073 17:02:11 0.118062 0.1631 BFGS: 1074 17:02:11 0.115931 0.1616 BFGS: 1075 17:02:12 0.113820 0.1600 BFGS: 1076 17:02:12 0.111730 0.1584 BFGS: 1077 17:02:12 0.109659 0.1569 BFGS: 1078 17:02:12 0.107609 0.1553 BFGS: 1079 17:02:12 0.105579 0.1537 BFGS: 1080 17:02:12 0.103569 0.1522 BFGS: 1081 17:02:12 0.101580 0.1506 BFGS: 1082 17:02:12 0.099610 0.1491 BFGS: 1083 17:02:12 0.097661 0.1475 BFGS: 1084 17:02:12 0.095732 0.1460 BFGS: 1085 17:02:12 0.093822 0.1444 BFGS: 1086 17:02:12 0.091933 0.1429 BFGS: 1087 17:02:12 0.090064 0.1413 BFGS: 1088 17:02:12 0.088215 0.1398 BFGS: 1089 17:02:12 0.086385 0.1383 BFGS: 1090 17:02:12 0.084576 0.1367 BFGS: 1091 17:02:12 0.082787 0.1352 BFGS: 1092 17:02:12 0.081017 0.1337 BFGS: 1093 17:02:12 0.079267 0.1321 BFGS: 1094 17:02:12 0.077537 0.1306 BFGS: 1095 17:02:12 0.075827 0.1291 BFGS: 1096 17:02:12 0.074137 0.1276 BFGS: 1097 17:02:12 0.072467 0.1260 BFGS: 1098 17:02:12 0.070816 0.1245 BFGS: 1099 17:02:12 0.069185 0.1230 BFGS: 1100 17:02:12 0.067574 0.1215 BFGS: 1101 17:02:12 0.065982 0.1200 BFGS: 1102 17:02:12 0.064410 0.1185 BFGS: 1103 17:02:12 0.062858 0.1170 BFGS: 1104 17:02:12 0.061325 0.1155 BFGS: 1105 17:02:12 0.059812 0.1140 BFGS: 1106 17:02:12 0.058318 0.1125 BFGS: 1107 17:02:12 0.056844 0.1110 BFGS: 1108 17:02:12 0.055390 0.1095 BFGS: 1109 17:02:12 0.053954 0.1080 BFGS: 1110 17:02:12 0.052539 0.1065 BFGS: 1111 17:02:12 0.051143 0.1050 BFGS: 1112 17:02:12 0.049766 0.1035 BFGS: 1113 17:02:12 0.048408 0.1020 BFGS: 1114 17:02:12 0.047070 0.1006 BFGS: 1115 17:02:12 0.045752 0.0991 BFGS: 1116 17:02:12 0.044452 0.0976 BFGS: 1117 17:02:12 0.043172 0.0961 BFGS: 1118 17:02:12 0.041911 0.0947 BFGS: 1119 17:02:13 0.040670 0.0932 BFGS: 1120 17:02:13 0.039447 0.0917 BFGS: 1121 17:02:13 0.038244 0.0902 BFGS: 1122 17:02:13 0.037060 0.0888 BFGS: 1123 17:02:13 0.035895 0.0873 BFGS: 1124 17:02:13 0.034749 0.0859 BFGS: 1125 17:02:13 0.033623 0.0844 BFGS: 1126 17:02:13 0.032515 0.0829 BFGS: 1127 17:02:13 0.031427 0.0815 BFGS: 1128 17:02:13 0.030357 0.0800 BFGS: 1129 17:02:13 0.029307 0.0786 BFGS: 1130 17:02:13 0.028275 0.0771 BFGS: 1131 17:02:13 0.027262 0.0757 BFGS: 1132 17:02:13 0.026269 0.0742 BFGS: 1133 17:02:13 0.025294 0.0728 BFGS: 1134 17:02:13 0.024338 0.0714 BFGS: 1135 17:02:13 0.023401 0.0699 BFGS: 1136 17:02:13 0.022483 0.0685 BFGS: 1137 17:02:13 0.021584 0.0671 BFGS: 1138 17:02:13 0.020703 0.0656 BFGS: 1139 17:02:13 0.019841 0.0642 BFGS: 1140 17:02:13 0.018998 0.0628 BFGS: 1141 17:02:13 0.018174 0.0613 BFGS: 1142 17:02:13 0.017368 0.0599 BFGS: 1143 17:02:13 0.016581 0.0585 BFGS: 1144 17:02:13 0.015813 0.0571 BFGS: 1145 17:02:13 0.015063 0.0557 BFGS: 1146 17:02:13 0.014332 0.0543 BFGS: 1147 17:02:13 0.013619 0.0528 BFGS: 1148 17:02:13 0.012925 0.0514 BFGS: 1149 17:02:13 0.012250 0.0500 BFGS: 1150 17:02:13 0.011593 0.0486 BFGS: 1151 17:02:13 0.010954 0.0472 BFGS: 1152 17:02:13 0.010334 0.0458 BFGS: 1153 17:02:13 0.009732 0.0444 BFGS: 1154 17:02:13 0.009149 0.0430 BFGS: 1155 17:02:13 0.008584 0.0416 BFGS: 1156 17:02:13 0.008038 0.0402 BFGS: 1157 17:02:13 0.007509 0.0388 BFGS: 1158 17:02:13 0.007000 0.0374 BFGS: 1159 17:02:13 0.006508 0.0360 BFGS: 1160 17:02:13 0.006035 0.0347 BFGS: 1161 17:02:14 0.005579 0.0333 BFGS: 1162 17:02:14 0.005143 0.0319 BFGS: 1163 17:02:14 0.004724 0.0305 BFGS: 1164 17:02:14 0.004323 0.0291 BFGS: 1165 17:02:14 0.003941 0.0278 BFGS: 1166 17:02:14 0.003577 0.0264 BFGS: 1167 17:02:14 0.003231 0.0250 BFGS: 1168 17:02:14 0.002903 0.0236 BFGS: 1169 17:02:14 0.002592 0.0223 BFGS: 1170 17:02:14 0.002300 0.0209 BFGS: 1171 17:02:14 0.002026 0.0195 BFGS: 1172 17:02:14 0.001770 0.0182 BFGS: 1173 17:02:14 0.001532 0.0168 BFGS: 1174 17:02:14 0.001312 0.0155 BFGS: 1175 17:02:14 0.001110 0.0141 BFGS: 1176 17:02:14 0.000925 0.0127 BFGS: 1177 17:02:14 0.000759 0.0114 BFGS: 1178 17:02:14 0.000610 0.0100 BFGS: 1179 17:02:14 0.000479 0.0087 BFGS: 1180 17:02:14 0.000365 0.0073 BFGS: 1181 17:02:14 0.000270 0.0060 BFGS: 1182 17:02:14 0.000192 0.0048 BFGS: 1183 17:02:14 0.000131 0.0050 BFGS: 1184 17:02:14 0.000088 0.0053 BFGS: 1185 17:02:14 0.000062 0.0057 BFGS: 1186 17:02:14 0.000052 0.0057 BFGS: 1187 17:02:14 0.000042 0.0052 BFGS: 1188 17:02:14 0.000033 0.0046 BFGS: 1189 17:02:14 0.000025 0.0040 BFGS: 1190 17:02:14 0.000018 0.0034 BFGS: 1191 17:02:14 0.000012 0.0028 BFGS: 1192 17:02:14 0.000007 0.0021 BFGS: 1193 17:02:14 0.000004 0.0015 BFGS: 1194 17:02:14 0.000001 0.0009 BFGS: 1195 17:02:14 0.000000 0.0003 BFGS: 1196 17:02:14 0.000000 0.0000 Minimization converged after 1196 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.9478725 0.43855511 0.82363472] [0.5521275 0.56144489 0.32363472] [0.0521275 0.93855511 0.67636528] [0.4478725 0.06144489 0.17636528] [0.0521275 0.56144489 0.17636528] [0.4478725 0.43855511 0.67636528] [0.9478725 0.06144489 0.32363472] [0.5521275 0.93855511 0.82363472] [0.67501866 0.69355399 0.70989729] [0.82498134 0.30644601 0.20989729] [0.32498134 0.19355399 0.79010271] [0.17501866 0.80644601 0.29010271] [0.32498134 0.30644601 0.29010271] [0.17501866 0.69355399 0.79010271] [0.67501866 0.80644601 0.20989729] [0.82498134 0.19355399 0.70989729] [0.57771373 0.59347507 0.97127743] [0.92228627 0.40652493 0.47127743] [0.42228627 0.09347507 0.52872257] [0.07771373 0.90652493 0.02872257] [0.42228627 0.40652493 0.02872257] [0.07771373 0.59347507 0.52872257] [0.57771373 0.90652493 0.47127743] [0.92228627 0.09347507 0.97127743]] cellpar = Cell([[13.891731931362457, -9.264405093537624e-34, 0.0], [-1.616666643196877e-33, 26.493942072791242, 0.0], [0.0, 0.0, 17.88382413165622]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0