element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: A3B20C4D10_oF148_42_ac_2c4e_e_2a4c Parameter names: ['a', 'b/a', 'c/a', 'z1', 'z2', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'y7', 'z7', 'y8', 'z8', 'y9', 'z9', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.8347', '2.7800915', '1.8188082', '0.93840131', '0.33839073', '0.061391907', '0.22768405', '0.4096292', '0.050185408', '0.39178302', '0.34398284', '0.45025328', '0.069526241', '0.880221', '0.28846386', '0.49646561', '0.15411186', '0.45296426', '0.24776536', '0.29397284', '0.85017243', '0.14533571', '0.60358434', '0.65822081', '0.17037621', '0.71520707', '0.8432711', '0.095202445', '0.75044656', '0.64967622', '0.075975104', '0.63590943', '0.75127618', '0.12160557', '0.676437'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'O', 'O', 'O', 'O', 'O', 'O'] representative atom coordinates = [[0. 0. 0.93840131] [0. 0.22768405 0.4096292 ] [0. 0.05018541 0.39178302] [0. 0.34398284 0.45025328] [0.35017243 0.14533571 0.10358434] [0.15822081 0.17037621 0.21520707] [0.3432711 0.09520244 0.25044656] [0.14967622 0.0759751 0.13590943] [0.25127618 0.12160557 0.176437 ] [0. 0. 0.33839073] [0. 0. 0.06139191] [0. 0.56952624 0.380221 ] [0. 0.28846386 0.49646561] [0. 0.15411186 0.45296426] [0. 0.24776536 0.29397284]] spacegroup = 42 cell = [[5.8347, 0, 0], [0, 16.221, 0], [0, 0, 10.6122]] ========================================= Step Time Energy fmax BFGS: 0 11:25:57 -677.407050 100.1798 BFGS: 1 11:25:58 -758.788926 41.6887 BFGS: 2 11:26:01 -782.623337 42.8935 BFGS: 3 11:26:03 -770.738403 84.3702 BFGS: 4 11:26:07 -779.091707 27.0417 BFGS: 5 11:26:10 -810.544134 9.8063 BFGS: 6 11:26:16 -807.707895 19.5492 BFGS: 7 11:26:20 -809.398590 18.9207 BFGS: 8 11:26:26 -805.660269 21.0838 BFGS: 9 11:26:35 -810.058498 17.0936 BFGS: 10 11:26:40 -817.330938 9.5701 BFGS: 11 11:26:42 -817.920917 19.2544 BFGS: 12 11:26:47 -824.313883 15.5233 BFGS: 13 11:26:50 -831.265743 25.6965 BFGS: 14 11:26:52 -834.880215 35.3765 BFGS: 15 11:26:56 -843.788676 27.4285 BFGS: 16 11:26:59 -843.709846 38.7348 BFGS: 17 11:27:03 -852.618155 17.2460 BFGS: 18 11:27:06 -859.502600 17.9304 BFGS: 19 11:27:10 -870.496353 14.5169 BFGS: 20 11:27:14 -879.569013 15.1451 BFGS: 21 11:27:16 -892.061297 15.3184 BFGS: 22 11:27:22 -905.181572 15.5022 BFGS: 23 11:27:27 -918.185507 13.3011 BFGS: 24 11:27:29 -926.271115 21.9231 BFGS: 25 11:27:31 -934.704974 14.0216 BFGS: 26 11:27:33 -940.205706 13.3731 BFGS: 27 11:27:35 -943.383363 12.6432 BFGS: 28 11:27:37 -946.358488 11.3253 BFGS: 29 11:27:39 -949.432805 10.7333 BFGS: 30 11:27:43 -952.498605 12.0120 BFGS: 31 11:27:48 -955.399964 16.5184 BFGS: 32 11:27:52 -958.130229 20.8935 BFGS: 33 11:27:57 -960.741800 25.1183 BFGS: 34 11:28:04 -963.308632 29.1057 BFGS: 35 11:28:07 -965.912754 33.1142 BFGS: 36 11:28:09 -968.576059 37.1171 BFGS: 37 11:28:11 -971.067336 41.0667 BFGS: 38 11:28:14 -975.496344 42.5165 BFGS: 39 11:28:15 -983.016527 41.5597 BFGS: 40 11:28:15 -994.522045 41.0539 BFGS: 41 11:28:18 -1011.435049 39.6104 BFGS: 42 11:28:19 -1034.564088 40.0576 BFGS: 43 11:28:20 -1024.694816 124.1333 BFGS: 44 11:28:21 -1043.969837 51.0155 BFGS: 45 11:28:21 -1049.429233 50.7500 BFGS: 46 11:28:22 -1054.747233 53.2866 BFGS: 47 11:28:23 -1059.911998 56.2476 BFGS: 48 11:28:24 -1067.005817 57.9966 BFGS: 49 11:28:26 -1074.014939 58.1589 BFGS: 50 11:28:29 -1098.111979 63.2872 BFGS: 51 11:28:35 -1119.078638 65.3070 BFGS: 52 11:28:37 -1133.351305 61.3352 BFGS: 53 11:28:45 -1145.362895 57.1659 BFGS: 54 11:28:50 -1155.294040 52.8812 BFGS: 55 11:28:53 -1164.552761 49.4830 BFGS: 56 11:28:57 -1172.866661 45.7403 BFGS: 57 11:29:01 -1180.808422 42.2782 BFGS: 58 11:29:06 -1188.097667 38.3994 BFGS: 59 11:29:09 -1195.031897 34.3871 BFGS: 60 11:29:11 -1201.342708 30.0786 BFGS: 61 11:29:14 -1207.328210 25.4309 BFGS: 62 11:29:17 -1212.862258 21.0790 BFGS: 63 11:29:20 -1218.142434 17.5710 BFGS: 64 11:29:24 -1223.275650 17.7335 BFGS: 65 11:29:26 -1228.383356 17.8841 BFGS: 66 11:29:30 -1233.539770 18.0851 BFGS: 67 11:29:35 -1239.349417 18.1496 BFGS: 68 11:29:39 -1246.534214 18.0388 BFGS: 69 11:29:41 -1255.260825 18.2276 BFGS: 70 11:29:42 -1265.701718 17.7290 BFGS: 71 11:29:42 -1272.530570 16.3651 BFGS: 72 11:29:44 -1286.155890 16.5797 BFGS: 73 11:29:47 -1300.656321 16.9325 BFGS: 74 11:29:49 -1316.185992 17.2099 BFGS: 75 11:29:51 -1332.774328 17.4729 BFGS: 76 11:29:53 -1350.489029 17.5702 BFGS: 77 11:29:54 -1371.077865 17.4769 BFGS: 78 11:29:55 -1391.523025 19.1302 BFGS: 79 11:29:57 -1408.847587 36.6180 BFGS: 80 11:30:01 -1419.740613 37.2532 BFGS: 81 11:30:02 -1429.949956 38.3628 BFGS: 82 11:30:06 -1439.961606 42.0360 BFGS: 83 11:30:15 -1450.532093 44.6362 BFGS: 84 11:30:20 -1460.113276 45.2787 BFGS: 85 11:30:22 -1474.333755 45.6849 BFGS: 86 11:30:27 -1492.188440 45.7922 BFGS: 87 11:30:31 -1507.786628 51.1373 BFGS: 88 11:30:35 -1532.440187 46.7794 BFGS: 89 11:30:36 -1560.024243 46.6646 BFGS: 90 11:30:37 -1590.331122 43.4837 BFGS: 91 11:30:39 -1617.813188 45.0532 BFGS: 92 11:30:41 -1649.838517 47.4859 BFGS: 93 11:30:43 -1673.719934 44.3574 BFGS: 94 11:30:46 -1689.014928 44.4439 BFGS: 95 11:30:50 -1702.291306 39.5427 BFGS: 96 11:30:54 -1714.274431 39.5454 BFGS: 97 11:31:00 -1724.992675 37.0803 BFGS: 98 11:31:03 -1741.532642 33.9726 BFGS: 99 11:31:04 -1756.370436 37.2424 BFGS: 100 11:31:06 -1769.973410 40.3315 BFGS: 101 11:31:10 -1780.865862 39.2279 BFGS: 102 11:31:16 -1789.495069 35.0179 BFGS: 103 11:31:19 -1796.637480 30.6310 BFGS: 104 11:31:21 -1803.374108 26.9349 BFGS: 105 11:31:28 -1809.698342 23.9060 BFGS: 106 11:31:31 -1816.153934 21.0860 BFGS: 107 11:31:32 -1822.687651 22.2373 BFGS: 108 11:31:36 -1829.183055 23.8009 BFGS: 109 11:31:38 -1835.402030 24.9143 BFGS: 110 11:31:41 -1841.397468 25.4361 BFGS: 111 11:31:43 -1847.019600 25.4879 BFGS: 112 11:31:44 -1852.603955 25.1151 BFGS: 113 11:31:45 -1858.132549 24.6144 BFGS: 114 11:31:48 -1863.684536 24.1691 BFGS: 115 11:31:52 -1869.280327 25.7526 BFGS: 116 11:31:55 -1875.896404 23.3482 BFGS: 117 11:31:57 -1884.835795 24.8994 BFGS: 118 11:31:59 -1899.425825 27.7507 BFGS: 119 11:32:00 -1915.113662 30.0174 BFGS: 120 11:32:01 -1922.203689 22.2694 BFGS: 121 11:32:03 -1926.141969 8.5302 BFGS: 122 11:32:05 -1930.132529 8.4794 BFGS: 123 11:32:06 -1934.363354 8.2895 BFGS: 124 11:32:08 -1938.856689 8.0686 BFGS: 125 11:32:09 -1943.027572 10.2018 BFGS: 126 11:32:09 -1948.197713 8.9299 BFGS: 127 11:32:11 -1952.297330 8.9819 BFGS: 128 11:32:16 -1958.719063 9.6387 BFGS: 129 11:32:22 -1964.875894 10.4728 BFGS: 130 11:32:24 -1969.877938 11.5205 BFGS: 131 11:32:26 -1973.631341 15.7148 BFGS: 132 11:32:28 -1977.043493 19.2416 BFGS: 133 11:32:31 -1980.221102 22.5561 BFGS: 134 11:32:32 -1983.228296 25.7085 BFGS: 135 11:32:34 -1986.150309 28.7670 BFGS: 136 11:32:36 -1989.197589 31.9384 BFGS: 137 11:32:37 -1992.622259 35.1660 BFGS: 138 11:32:38 -1996.535000 38.4879 BFGS: 139 11:32:40 -2000.782900 41.8163 BFGS: 140 11:32:42 -2005.219604 45.1246 BFGS: 141 11:32:44 -2009.784345 48.2628 BFGS: 142 11:32:46 -2014.460231 51.1522 BFGS: 143 11:32:50 -2019.581883 53.7281 BFGS: 144 11:32:51 -2025.854209 55.9639 BFGS: 145 11:32:52 -2032.382136 57.2643 BFGS: 146 11:32:54 -2038.970323 57.9504 BFGS: 147 11:32:55 -2047.394266 57.8281 BFGS: 148 11:32:57 -2057.345412 58.0177 BFGS: 149 11:32:59 -2062.205771 58.7660 BFGS: 150 11:33:01 -2065.495114 59.5132 BFGS: 151 11:33:05 -2068.238902 60.2865 BFGS: 152 11:33:08 -2079.748144 59.9824 BFGS: 153 11:33:08 -2083.214033 60.7683 BFGS: 154 11:33:11 -2086.419746 61.5431 BFGS: 155 11:33:12 -2089.988618 62.3012 BFGS: 156 11:33:13 -2093.690218 63.1004 BFGS: 157 11:33:14 -2097.726770 63.8993 BFGS: 158 11:33:15 -2102.151432 64.7619 BFGS: 159 11:33:15 -2106.929811 65.6411 BFGS: 160 11:33:17 -2111.816471 66.5511 BFGS: 161 11:33:18 -2116.762604 67.4663 BFGS: 162 11:33:20 -2121.646074 68.3623 BFGS: 163 11:33:22 -2131.919028 70.1460 BFGS: 164 11:33:23 -2137.212190 71.6534 BFGS: 165 11:33:26 -2150.247410 77.9796 BFGS: 166 11:33:31 -2159.054943 78.8432 BFGS: 167 11:33:34 -2170.043943 79.5646 BFGS: 168 11:33:37 -2183.548139 79.7647 BFGS: 169 11:33:41 -2201.925782 79.0306 BFGS: 170 11:33:43 -2225.637583 78.9941 BFGS: 171 11:33:45 -2244.660014 80.1446 BFGS: 172 11:33:48 -2274.266713 66.9614 BFGS: 173 11:33:50 -2299.561956 58.2587 BFGS: 174 11:33:52 -2326.440598 47.7187 BFGS: 175 11:33:53 -2351.706391 31.9496 BFGS: 176 11:33:55 -2367.268888 27.2923 BFGS: 177 11:33:56 -2375.645244 26.2051 BFGS: 178 11:33:59 -2383.215228 24.9433 BFGS: 179 11:34:04 -2389.706633 23.8034 BFGS: 180 11:34:07 -2395.356897 23.4748 BFGS: 181 11:34:09 -2400.188776 21.1357 BFGS: 182 11:34:12 -2404.436430 20.8990 BFGS: 183 11:34:14 -2408.374406 19.8728 BFGS: 184 11:34:18 -2412.131729 20.4106 BFGS: 185 11:34:19 -2415.827932 19.9642 BFGS: 186 11:34:22 -2419.432267 20.4410 BFGS: 187 11:34:24 -2423.058252 19.8622 BFGS: 188 11:34:27 -2426.580413 20.1451 BFGS: 189 11:34:29 -2430.192254 19.2454 BFGS: 190 11:34:32 -2433.658186 19.3359 BFGS: 191 11:34:39 -2437.237965 18.2291 BFGS: 192 11:34:41 -2440.643621 17.9265 BFGS: 193 11:34:45 -2444.109866 17.1402 BFGS: 194 11:34:48 -2447.399754 17.1117 BFGS: 195 11:34:52 -2450.645365 17.0307 BFGS: 196 11:34:54 -2453.677368 16.6390 BFGS: 197 11:34:56 -2456.530509 16.1396 BFGS: 198 11:35:01 -2459.092993 15.4155 BFGS: 199 11:35:02 -2461.396589 15.2681 BFGS: 200 11:35:03 -2463.503680 15.3861 BFGS: 201 11:35:05 -2465.655713 16.1175 BFGS: 202 11:35:07 -2467.946163 18.8421 BFGS: 203 11:35:09 -2470.470679 20.8494 BFGS: 204 11:35:11 -2473.197995 22.0307 BFGS: 205 11:35:12 -2475.926842 22.5580 BFGS: 206 11:35:13 -2478.623548 22.3738 BFGS: 207 11:35:15 -2481.311640 21.5441 BFGS: 208 11:35:17 -2484.018595 19.8811 BFGS: 209 11:35:18 -2486.757476 19.0789 BFGS: 210 11:35:20 -2489.619832 19.2195 BFGS: 211 11:35:21 -2492.682997 19.5101 BFGS: 212 11:35:23 -2496.262595 18.7374 BFGS: 213 11:35:24 -2500.605333 18.1800 BFGS: 214 11:35:25 -2506.161147 23.1865 BFGS: 215 11:35:26 -2511.742092 27.4398 BFGS: 216 11:35:28 -2517.466992 33.1449 BFGS: 217 11:35:30 -2523.011046 30.8575 BFGS: 218 11:35:33 -2527.968725 31.3257 BFGS: 219 11:35:36 -2532.222556 26.8566 BFGS: 220 11:35:39 -2536.490209 25.6730 BFGS: 221 11:35:40 -2540.538261 22.9735 BFGS: 222 11:35:42 -2544.381982 21.3074 BFGS: 223 11:35:44 -2547.926080 22.1054 BFGS: 224 11:35:46 -2551.240692 22.7544 BFGS: 225 11:35:49 -2554.269041 22.7185 BFGS: 226 11:35:51 -2557.039512 22.3838 BFGS: 227 11:35:55 -2559.580282 21.3830 BFGS: 228 11:35:57 -2561.893175 20.2331 BFGS: 229 11:36:00 -2564.078039 18.5189 BFGS: 230 11:36:02 -2566.111191 17.5345 BFGS: 231 11:36:04 -2568.068548 16.4298 BFGS: 232 11:36:05 -2569.957168 15.1269 BFGS: 233 11:36:08 -2571.775435 13.7361 BFGS: 234 11:36:11 -2573.564603 13.5037 BFGS: 235 11:36:14 -2575.272592 13.2207 BFGS: 236 11:36:16 -2576.979714 12.8402 BFGS: 237 11:36:17 -2578.597535 12.4902 BFGS: 238 11:36:21 -2580.233282 12.0785 BFGS: 239 11:36:23 -2581.797496 13.3667 BFGS: 240 11:36:25 -2583.378769 14.8900 BFGS: 241 11:36:27 -2584.924374 16.7932 BFGS: 242 11:36:32 -2586.485399 18.4912 BFGS: 243 11:36:37 -2588.042029 20.4517 BFGS: 244 11:36:39 -2589.624065 22.3151 BFGS: 245 11:36:41 -2591.234151 24.3698 BFGS: 246 11:36:43 -2592.885738 26.4071 BFGS: 247 11:36:44 -2594.598121 28.6035 BFGS: 248 11:36:46 -2596.356851 30.8473 BFGS: 249 11:36:48 -2598.188944 33.2164 BFGS: 250 11:36:50 -2600.064350 35.6492 BFGS: 251 11:36:51 -2601.976726 38.1554 BFGS: 252 11:36:53 -2603.904029 40.6737 BFGS: 253 11:36:55 -2605.831411 43.1828 BFGS: 254 11:36:58 -2607.739856 45.5328 BFGS: 255 11:37:01 -2609.608849 47.7244 BFGS: 256 11:37:02 -2611.420879 49.4890 BFGS: 257 11:37:05 -2613.166446 51.1066 BFGS: 258 11:37:07 -2614.841697 51.9323 BFGS: 259 11:37:10 -2616.458301 53.0740 BFGS: 260 11:37:11 -2618.017701 52.9449 BFGS: 261 11:37:13 -2619.560084 53.7481 BFGS: 262 11:37:14 -2621.077931 53.4275 BFGS: 263 11:37:14 -2622.621661 53.8195 BFGS: 264 11:37:17 -2624.175924 53.2444 BFGS: 265 11:37:18 -2625.765404 54.1210 BFGS: 266 11:37:19 -2627.380027 53.3442 BFGS: 267 11:37:20 -2629.026698 53.6143 BFGS: 268 11:37:23 -2630.720876 53.5160 BFGS: 269 11:37:25 -2632.433581 53.5610 BFGS: 270 11:37:27 -2634.461066 53.6614 BFGS: 271 11:37:29 -2638.385257 50.4950 BFGS: 272 11:37:30 -2641.255700 49.7956 BFGS: 273 11:37:31 -2643.689926 50.2847 BFGS: 274 11:37:31 -2646.328159 50.2444 BFGS: 275 11:37:33 -2648.905487 50.4239 BFGS: 276 11:37:34 -2652.018879 48.7767 BFGS: 277 11:37:35 -2654.730378 47.8062 BFGS: 278 11:37:36 -2657.090342 46.7226 BFGS: 279 11:37:38 -2659.383230 46.7949 BFGS: 280 11:37:42 -2661.570319 46.8067 BFGS: 281 11:37:43 -2663.765906 46.7229 BFGS: 282 11:37:44 -2665.933102 46.6011 BFGS: 283 11:37:45 -2668.148387 46.4044 BFGS: 284 11:37:47 -2670.372382 46.1833 BFGS: 285 11:37:48 -2672.668611 45.9042 BFGS: 286 11:37:50 -2674.997644 45.6109 BFGS: 287 11:37:52 -2677.426437 45.2715 BFGS: 288 11:37:53 -2679.899175 44.9289 BFGS: 289 11:37:55 -2682.504232 44.5475 BFGS: 290 11:37:57 -2685.162110 44.1747 BFGS: 291 11:37:59 -2688.000062 43.7657 BFGS: 292 11:38:00 -2690.902359 43.3781 BFGS: 293 11:38:03 -2694.056946 42.9536 BFGS: 294 11:38:04 -2697.303502 42.5667 BFGS: 295 11:38:05 -2700.914448 42.1349 BFGS: 296 11:38:07 -2704.654285 41.7591 BFGS: 297 11:38:07 -2708.928976 41.3222 BFGS: 298 11:38:09 -2713.360578 40.9645 BFGS: 299 11:38:10 -2718.557747 40.5080 BFGS: 300 11:38:11 -2723.830264 40.1640 BFGS: 301 11:38:12 -2729.124299 39.7116 BFGS: 302 11:38:13 -2735.163192 39.3326 BFGS: 303 11:38:15 -2740.411932 38.7919 BFGS: 304 11:38:15 -2746.683837 38.2548 BFGS: 305 11:38:18 -2752.012545 37.5010 BFGS: 306 11:38:22 -2758.355206 36.6651 BFGS: 307 11:38:25 -2763.902047 35.5920 BFGS: 308 11:38:27 -2769.896757 34.4713 BFGS: 309 11:38:28 -2775.888091 33.0233 BFGS: 310 11:38:30 -2781.137139 31.7926 BFGS: 311 11:38:30 -2786.082110 30.3867 BFGS: 312 11:38:32 -2790.331237 29.1723 BFGS: 313 11:38:34 -2794.227568 29.0071 BFGS: 314 11:38:34 -2797.691136 29.8339 BFGS: 315 11:38:36 -2800.983431 31.6383 BFGS: 316 11:38:38 -2804.148393 33.2333 BFGS: 317 11:38:40 -2807.487807 35.2557 BFGS: 318 11:38:42 -2811.371068 35.6320 BFGS: 319 11:38:43 -2816.489836 37.6315 BFGS: 320 11:38:45 -2823.875694 35.9754 BFGS: 321 11:38:46 -2828.398537 32.4301 BFGS: 322 11:38:48 -2832.730329 30.6314 BFGS: 323 11:38:50 -2836.828178 30.5669 BFGS: 324 11:38:52 -2840.384400 29.7910 BFGS: 325 11:38:54 -2843.537982 29.4709 BFGS: 326 11:38:56 -2846.388952 28.5054 BFGS: 327 11:38:57 -2849.027173 28.0072 BFGS: 328 11:38:59 -2851.539515 27.0258 BFGS: 329 11:39:01 -2853.965705 26.4482 BFGS: 330 11:39:02 -2856.377435 25.4215 BFGS: 331 11:39:05 -2858.825159 24.7117 BFGS: 332 11:39:07 -2861.425518 23.3768 BFGS: 333 11:39:11 -2864.405782 22.8578 BFGS: 334 11:39:12 -2867.141686 22.2425 BFGS: 335 11:39:16 -2869.562835 21.7849 BFGS: 336 11:39:17 -2871.897384 21.1408 BFGS: 337 11:39:19 -2874.609173 21.7675 BFGS: 338 11:39:21 -2877.496716 21.4855 BFGS: 339 11:39:23 -2880.872299 21.4596 BFGS: 340 11:39:25 -2884.612837 20.6212 BFGS: 341 11:39:27 -2888.348820 20.5947 BFGS: 342 11:39:28 -2891.570985 19.5635 BFGS: 343 11:39:29 -2894.690762 18.8737 BFGS: 344 11:39:30 -2897.223204 18.4713 BFGS: 345 11:39:30 -2899.894348 18.4850 BFGS: 346 11:39:31 -2901.974950 17.6381 BFGS: 347 11:39:34 -2904.256370 17.6525 BFGS: 348 11:39:36 -2906.153913 17.1343 BFGS: 349 11:39:36 -2908.195056 17.4036 BFGS: 350 11:39:37 -2910.001652 17.3753 BFGS: 351 11:39:38 -2911.918091 17.9187 BFGS: 352 11:39:39 -2913.682344 18.3218 BFGS: 353 11:39:41 -2915.527142 19.0897 BFGS: 354 11:39:42 -2917.283572 19.7970 BFGS: 355 11:39:44 -2919.098155 20.7544 BFGS: 356 11:39:45 -2920.868508 21.6630 BFGS: 357 11:39:46 -2922.686127 22.7631 BFGS: 358 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3.2792 BFGS: 711 11:46:33 -3192.244869 3.3058 BFGS: 712 11:46:33 -3192.257509 3.3315 BFGS: 713 11:46:34 -3192.270147 3.3568 BFGS: 714 11:46:35 -3192.282782 3.3820 BFGS: 715 11:46:35 -3192.295414 3.4072 BFGS: 716 11:46:36 -3192.308042 3.4324 BFGS: 717 11:46:37 -3192.320666 3.4576 BFGS: 718 11:46:37 -3192.333286 3.4828 BFGS: 719 11:46:38 -3192.345902 3.5081 BFGS: 720 11:46:38 -3192.358514 3.5333 BFGS: 721 11:46:39 -3192.371121 3.5586 BFGS: 722 11:46:39 -3192.383724 3.5839 BFGS: 723 11:46:40 -3192.396378 3.6093 BFGS: 724 11:46:41 -3192.409082 3.6319 BFGS: 725 11:46:42 -3192.421792 3.6570 BFGS: 726 11:46:42 -3192.434497 3.6826 BFGS: 727 11:46:43 -3192.447199 3.7082 BFGS: 728 11:46:43 -3192.459895 3.7337 BFGS: 729 11:46:44 -3192.472587 3.7593 BFGS: 730 11:46:45 -3192.485274 3.7849 BFGS: 731 11:46:45 -3192.498019 3.8105 BFGS: 732 11:46:47 -3192.510727 3.8371 BFGS: 733 11:46:48 -3192.523462 3.8621 BFGS: 734 11:46:48 -3192.536197 3.8876 BFGS: 735 11:46:49 -3192.548930 3.9131 BFGS: 736 11:46:50 -3192.561657 3.9388 BFGS: 737 11:46:51 -3192.574379 3.9645 BFGS: 738 11:46:51 -3192.587095 3.9903 BFGS: 739 11:46:52 -3192.599805 4.0162 BFGS: 740 11:46:52 -3192.612508 4.0421 BFGS: 741 11:46:53 -3192.625205 4.0681 BFGS: 742 11:46:53 -3192.637895 4.0942 BFGS: 743 11:46:54 -3192.650579 4.1203 BFGS: 744 11:46:55 -3192.663255 4.1465 BFGS: 745 11:46:56 -3192.675943 4.1727 BFGS: 746 11:46:56 -3192.688677 4.1990 BFGS: 747 11:46:57 -3192.701407 4.2252 BFGS: 748 11:46:58 -3192.714131 4.2516 BFGS: 749 11:47:00 -3192.726848 4.2780 BFGS: 750 11:47:00 -3192.739557 4.3045 BFGS: 751 11:47:01 -3192.752259 4.3310 BFGS: 752 11:47:02 -3192.764952 4.3576 BFGS: 753 11:47:03 -3192.777638 4.3842 BFGS: 754 11:47:03 -3192.790315 4.4108 BFGS: 755 11:47:04 -3192.802984 4.4375 BFGS: 756 11:47:04 -3192.815644 4.4642 BFGS: 757 11:47:05 -3192.828296 4.4910 BFGS: 758 11:47:05 -3192.840939 4.5178 BFGS: 759 11:47:06 -3192.853573 4.5447 BFGS: 760 11:47:06 -3192.866198 4.5716 BFGS: 761 11:47:07 -3192.878814 4.5985 BFGS: 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-3193.535733 6.0506 BFGS: 814 11:47:44 -3193.548335 6.0797 BFGS: 815 11:47:45 -3193.560922 6.1088 BFGS: 816 11:47:46 -3193.573495 6.1379 BFGS: 817 11:47:47 -3193.586052 6.1671 BFGS: 818 11:47:48 -3193.598594 6.1963 BFGS: 819 11:47:49 -3193.611121 6.2255 BFGS: 820 11:47:49 -3193.623633 6.2548 BFGS: 821 11:47:51 -3193.636129 6.2842 BFGS: 822 11:47:51 -3193.648610 6.3135 BFGS: 823 11:47:52 -3193.661075 6.3429 BFGS: 824 11:47:52 -3193.673524 6.3724 BFGS: 825 11:47:53 -3193.685957 6.4019 BFGS: 826 11:47:54 -3193.698374 6.4314 BFGS: 827 11:47:55 -3193.710910 6.4610 BFGS: 828 11:47:56 -3193.723517 6.4898 BFGS: 829 11:47:57 -3193.736125 6.5190 BFGS: 830 11:47:58 -3193.748720 6.5485 BFGS: 831 11:47:58 -3193.761299 6.5781 BFGS: 832 11:47:59 -3193.773862 6.6078 BFGS: 833 11:48:00 -3193.786409 6.6375 BFGS: 834 11:48:00 -3193.798939 6.6672 BFGS: 835 11:48:01 -3193.811452 6.6970 BFGS: 836 11:48:02 -3193.823948 6.7268 BFGS: 837 11:48:02 -3193.836428 6.7567 BFGS: 838 11:48:02 -3193.848890 6.7866 BFGS: 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-3194.473862 8.3897 BFGS: 891 11:48:53 -3194.485430 8.4214 BFGS: 892 11:48:54 -3194.496977 8.4531 BFGS: 893 11:48:54 -3194.508501 8.4848 BFGS: 894 11:48:55 -3194.520005 8.5166 BFGS: 895 11:48:56 -3194.531486 8.5484 BFGS: 896 11:48:57 -3194.542946 8.5802 BFGS: 897 11:48:58 -3194.554384 8.6121 BFGS: 898 11:48:59 -3194.565800 8.6440 BFGS: 899 11:48:59 -3194.577194 8.6759 BFGS: 900 11:49:01 -3194.588566 8.7078 BFGS: 901 11:49:02 -3194.599917 8.7398 BFGS: 902 11:49:02 -3194.611245 8.7718 BFGS: 903 11:49:03 -3194.622552 8.8038 BFGS: 904 11:49:04 -3194.633836 8.8358 BFGS: 905 11:49:05 -3194.645098 8.8679 BFGS: 906 11:49:06 -3194.656338 8.9000 BFGS: 907 11:49:07 -3194.667556 8.9321 BFGS: 908 11:49:08 -3194.678752 8.9642 BFGS: 909 11:49:09 -3194.689926 8.9964 BFGS: 910 11:49:10 -3194.701077 9.0286 BFGS: 911 11:49:12 -3194.712207 9.0608 BFGS: 912 11:49:13 -3194.723314 9.0930 BFGS: 913 11:49:14 -3194.734398 9.1252 BFGS: 914 11:49:15 -3194.745461 9.1575 BFGS: 915 11:49:17 -3194.756501 9.1898 BFGS: 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BFGS: 6099 12:57:27 -5646.820213 0.0069 BFGS: 6100 12:57:27 -5646.820213 0.0069 BFGS: 6101 12:57:28 -5646.820213 0.0069 BFGS: 6102 12:57:28 -5646.820213 0.0069 BFGS: 6103 12:57:29 -5646.820213 0.0069 BFGS: 6104 12:57:29 -5646.820213 0.0069 BFGS: 6105 12:57:29 -5646.820213 0.0069 BFGS: 6106 12:57:30 -5646.820213 0.0069 BFGS: 6107 12:57:30 -5646.820213 0.0069 BFGS: 6108 12:57:31 -5646.820213 0.0069 BFGS: 6109 12:57:31 -5646.820213 0.0069 BFGS: 6110 12:57:31 -5646.820213 0.0069 BFGS: 6111 12:57:32 -5646.820213 0.0069 BFGS: 6112 12:57:32 -5646.820213 0.0069 BFGS: 6113 12:57:33 -5646.820213 0.0069 BFGS: 6114 12:57:33 -5646.820213 0.0069 BFGS: 6115 12:57:34 -5646.820213 0.0069 BFGS: 6116 12:57:34 -5646.820213 0.0069 BFGS: 6117 12:57:35 -5646.820213 0.0069 BFGS: 6118 12:57:35 -5646.820213 0.0069 BFGS: 6119 12:57:35 -5646.820213 0.0069 BFGS: 6120 12:57:36 -5646.820213 0.0069 BFGS: 6121 12:57:36 -5646.820213 0.0069 BFGS: 6122 12:57:37 -5646.820213 0.0069 BFGS: 6123 12:57:37 -5646.820213 0.0069 BFGS: 6124 12:57:38 -5646.820213 0.0069 BFGS: 6125 12:57:38 -5646.820213 0.0069 BFGS: 6126 12:57:38 -5646.820213 0.0069 BFGS: 6127 12:57:39 -5646.820213 0.0069 BFGS: 6128 12:57:39 -5646.820213 0.0069 BFGS: 6129 12:57:40 -5646.820213 0.0069 BFGS: 6130 12:57:40 -5646.820213 0.0069 BFGS: 6131 12:57:41 -5646.820213 0.0069 BFGS: 6132 12:57:41 -5646.820213 0.0069 BFGS: 6133 12:57:42 -5646.820213 0.0069 BFGS: 6134 12:57:42 -5646.820213 0.0069 BFGS: 6135 12:57:42 -5646.820213 0.0069 BFGS: 6136 12:57:43 -5646.820213 0.0069 BFGS: 6137 12:57:43 -5646.820213 0.0069 BFGS: 6138 12:57:44 -5646.820213 0.0069 BFGS: 6139 12:57:44 -5646.820213 0.0069 BFGS: 6140 12:57:45 -5646.820213 0.0069 BFGS: 6141 12:57:45 -5646.820213 0.0069 BFGS: 6142 12:57:46 -5646.820213 0.0069 BFGS: 6143 12:57:46 -5646.820213 0.0069 BFGS: 6144 12:57:46 -5646.820213 0.0069 BFGS: 6145 12:57:47 -5646.820213 0.0069 BFGS: 6146 12:57:47 -5646.820213 0.0069 BFGS: 6147 12:57:48 -5646.820213 0.0069 BFGS: 6148 12:57:48 -5646.820213 0.0069 BFGS: 6149 12:57:49 -5646.820213 0.0069 BFGS: 6150 12:57:49 -5646.820213 0.0069 BFGS: 6151 12:57:50 -5646.820213 0.0069 BFGS: 6152 12:57:51 -5646.820213 0.0069 BFGS: 6153 12:57:51 -5646.820213 0.0069 BFGS: 6154 12:57:51 -5646.820213 0.0069 BFGS: 6155 12:57:52 -5646.820213 0.0069 BFGS: 6156 12:57:52 -5646.820213 0.0069 BFGS: 6157 12:57:53 -5646.820213 0.0069 BFGS: 6158 12:57:53 -5646.820213 0.0069 BFGS: 6159 12:57:54 -5646.820213 0.0069 BFGS: 6160 12:57:54 -5646.820213 0.0069 BFGS: 6161 12:57:55 -5646.820213 0.0069 BFGS: 6162 12:57:55 -5646.820213 0.0069 BFGS: 6163 12:57:56 -5646.820213 0.0069 BFGS: 6164 12:57:56 -5646.820213 0.0069 BFGS: 6165 12:57:56 -5646.820213 0.0069 BFGS: 6166 12:57:57 -5646.820213 0.0069 BFGS: 6167 12:57:57 -5646.820213 0.0069 BFGS: 6168 12:57:58 -5646.820213 0.0069 BFGS: 6169 12:57:58 -5646.820213 0.0069 BFGS: 6170 12:57:59 -5646.820213 0.0069 BFGS: 6171 12:57:59 -5646.820213 0.0069 BFGS: 6172 12:58:00 -5646.820213 0.0069 BFGS: 6173 12:58:00 -5646.820213 0.0069 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BFGS: 6224 12:58:22 -5646.820213 0.0069 BFGS: 6225 12:58:22 -5646.820213 0.0069 BFGS: 6226 12:58:23 -5646.820213 0.0069 BFGS: 6227 12:58:23 -5646.820213 0.0069 BFGS: 6228 12:58:23 -5646.820213 0.0069 BFGS: 6229 12:58:24 -5646.820213 0.0069 BFGS: 6230 12:58:24 -5646.820213 0.0069 BFGS: 6231 12:58:24 -5646.820213 0.0069 BFGS: 6232 12:58:25 -5646.820213 0.0069 BFGS: 6233 12:58:25 -5646.820213 0.0069 BFGS: 6234 12:58:25 -5646.820213 0.0069 BFGS: 6235 12:58:26 -5646.820213 0.0069 BFGS: 6236 12:58:26 -5646.820213 0.0069 BFGS: 6237 12:58:27 -5646.820213 0.0069 BFGS: 6238 12:58:27 -5646.820213 0.0069 BFGS: 6239 12:58:27 -5646.820213 0.0069 BFGS: 6240 12:58:28 -5646.820213 0.0069 BFGS: 6241 12:58:28 -5646.820213 0.0069 BFGS: 6242 12:58:28 -5646.820213 0.0069 BFGS: 6243 12:58:29 -5646.820213 0.0069 BFGS: 6244 12:58:29 -5646.820213 0.0069 BFGS: 6245 12:58:30 -5646.820213 0.0069 BFGS: 6246 12:58:30 -5646.820213 0.0069 BFGS: 6247 12:58:31 -5646.820213 0.0069 BFGS: 6248 12:58:31 -5646.820213 0.0069 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BFGS: 8024 13:11:43 -5646.820213 0.0069 BFGS: 8025 13:11:44 -5646.820213 0.0069 BFGS: 8026 13:11:44 -5646.820213 0.0069 BFGS: 8027 13:11:45 -5646.820213 0.0069 BFGS: 8028 13:11:45 -5646.820213 0.0069 BFGS: 8029 13:11:46 -5646.820213 0.0069 BFGS: 8030 13:11:46 -5646.820213 0.0069 BFGS: 8031 13:11:46 -5646.820213 0.0069 BFGS: 8032 13:11:47 -5646.820213 0.0069 BFGS: 8033 13:11:47 -5646.820213 0.0069 BFGS: 8034 13:11:48 -5646.820213 0.0069 BFGS: 8035 13:11:48 -5646.820213 0.0069 BFGS: 8036 13:11:49 -5646.820213 0.0069 BFGS: 8037 13:11:49 -5646.820213 0.0069 BFGS: 8038 13:11:50 -5646.820213 0.0069 BFGS: 8039 13:11:50 -5646.820213 0.0069 BFGS: 8040 13:11:51 -5646.820213 0.0069 BFGS: 8041 13:11:52 -5646.820213 0.0069 BFGS: 8042 13:11:52 -5646.820213 0.0069 BFGS: 8043 13:11:52 -5646.820213 0.0069 BFGS: 8044 13:11:53 -5646.820213 0.0069 BFGS: 8045 13:11:53 -5646.820213 0.0069 BFGS: 8046 13:11:54 -5646.820213 0.0069 BFGS: 8047 13:11:54 -5646.820213 0.0069 BFGS: 8048 13:11:55 -5646.820213 0.0069 BFGS: 8049 13:11:55 -5646.820213 0.0069 BFGS: 8050 13:11:56 -5646.820213 0.0069 BFGS: 8051 13:11:56 -5646.820213 0.0069 BFGS: 8052 13:11:56 -5646.820213 0.0069 BFGS: 8053 13:11:57 -5646.820213 0.0069 BFGS: 8054 13:11:57 -5646.820213 0.0069 BFGS: 8055 13:11:58 -5646.820213 0.0069 BFGS: 8056 13:11:58 -5646.820213 0.0069 BFGS: 8057 13:11:59 -5646.820213 0.0069 BFGS: 8058 13:11:59 -5646.820213 0.0069 BFGS: 8059 13:12:00 -5646.820213 0.0069 BFGS: 8060 13:12:00 -5646.820213 0.0069 BFGS: 8061 13:12:01 -5646.820213 0.0069 BFGS: 8062 13:12:01 -5646.820213 0.0069 BFGS: 8063 13:12:02 -5646.820213 0.0069 BFGS: 8064 13:12:02 -5646.820213 0.0069 BFGS: 8065 13:12:03 -5646.820213 0.0069 BFGS: 8066 13:12:03 -5646.820213 0.0069 BFGS: 8067 13:12:04 -5646.820213 0.0069 BFGS: 8068 13:12:04 -5646.820213 0.0069 BFGS: 8069 13:12:05 -5646.820213 0.0069 BFGS: 8070 13:12:05 -5646.820213 0.0069 BFGS: 8071 13:12:06 -5646.820213 0.0069 BFGS: 8072 13:12:06 -5646.820213 0.0069 BFGS: 8073 13:12:06 -5646.820213 0.0069 BFGS: 8074 13:12:07 -5646.820213 0.0069 BFGS: 8075 13:12:07 -5646.820213 0.0069 BFGS: 8076 13:12:08 -5646.820213 0.0069 BFGS: 8077 13:12:08 -5646.820213 0.0069 BFGS: 8078 13:12:09 -5646.820213 0.0069 BFGS: 8079 13:12:09 -5646.820213 0.0069 BFGS: 8080 13:12:10 -5646.820213 0.0069 BFGS: 8081 13:12:10 -5646.820213 0.0069 BFGS: 8082 13:12:11 -5646.820213 0.0069 BFGS: 8083 13:12:11 -5646.820213 0.0069 BFGS: 8084 13:12:12 -5646.820213 0.0069 BFGS: 8085 13:12:12 -5646.820213 0.0069 BFGS: 8086 13:12:13 -5646.820213 0.0069 BFGS: 8087 13:12:13 -5646.820213 0.0069 BFGS: 8088 13:12:14 -5646.820213 0.0069 BFGS: 8089 13:12:14 -5646.820213 0.0069 BFGS: 8090 13:12:14 -5646.820213 0.0069 BFGS: 8091 13:12:15 -5646.820213 0.0069 BFGS: 8092 13:12:15 -5646.820213 0.0069 BFGS: 8093 13:12:16 -5646.820213 0.0069 BFGS: 8094 13:12:16 -5646.820213 0.0069 BFGS: 8095 13:12:17 -5646.820213 0.0069 BFGS: 8096 13:12:17 -5646.820213 0.0069 BFGS: 8097 13:12:18 -5646.820213 0.0069 BFGS: 8098 13:12:18 -5646.820213 0.0069 BFGS: 8099 13:12:18 -5646.820213 0.0069 BFGS: 8100 13:12:19 -5646.820213 0.0069 BFGS: 8101 13:12:19 -5646.820213 0.0069 BFGS: 8102 13:12:20 -5646.820213 0.0069 BFGS: 8103 13:12:20 -5646.820213 0.0069 BFGS: 8104 13:12:21 -5646.820213 0.0069 BFGS: 8105 13:12:21 -5646.820213 0.0069 BFGS: 8106 13:12:22 -5646.820213 0.0069 BFGS: 8107 13:12:22 -5646.820213 0.0069 BFGS: 8108 13:12:22 -5646.820213 0.0069 BFGS: 8109 13:12:23 -5646.820213 0.0069 BFGS: 8110 13:12:23 -5646.820213 0.0069 BFGS: 8111 13:12:24 -5646.820213 0.0069 BFGS: 8112 13:12:24 -5646.820213 0.0069 BFGS: 8113 13:12:25 -5646.820213 0.0069 BFGS: 8114 13:12:25 -5646.820213 0.0069 BFGS: 8115 13:12:26 -5646.820213 0.0069 BFGS: 8116 13:12:26 -5646.820213 0.0069 BFGS: 8117 13:12:27 -5646.820213 0.0069 BFGS: 8118 13:12:27 -5646.820213 0.0069 BFGS: 8119 13:12:28 -5646.820213 0.0069 BFGS: 8120 13:12:28 -5646.820213 0.0069 BFGS: 8121 13:12:29 -5646.820213 0.0069 BFGS: 8122 13:12:29 -5646.820213 0.0069 BFGS: 8123 13:12:29 -5646.820213 0.0069 BFGS: 8124 13:12:30 -5646.820213 0.0069 BFGS: 8125 13:12:30 -5646.820213 0.0069 BFGS: 8126 13:12:30 -5646.820213 0.0069 BFGS: 8127 13:12:31 -5646.820213 0.0069 BFGS: 8128 13:12:31 -5646.820213 0.0069 BFGS: 8129 13:12:32 -5646.820213 0.0069 BFGS: 8130 13:12:32 -5646.820213 0.0069 BFGS: 8131 13:12:32 -5646.820213 0.0069 BFGS: 8132 13:12:33 -5646.820213 0.0069 BFGS: 8133 13:12:33 -5646.820213 0.0069 BFGS: 8134 13:12:34 -5646.820213 0.0069 BFGS: 8135 13:12:34 -5646.820213 0.0069 BFGS: 8136 13:12:35 -5646.820213 0.0069 BFGS: 8137 13:12:35 -5646.820213 0.0069 BFGS: 8138 13:12:36 -5646.820213 0.0069 BFGS: 8139 13:12:36 -5646.820213 0.0069 BFGS: 8140 13:12:37 -5646.820213 0.0069 BFGS: 8141 13:12:37 -5646.820213 0.0069 BFGS: 8142 13:12:37 -5646.820213 0.0069 BFGS: 8143 13:12:38 -5646.820213 0.0069 BFGS: 8144 13:12:38 -5646.820213 0.0069 BFGS: 8145 13:12:39 -5646.820213 0.0069 BFGS: 8146 13:12:39 -5646.820213 0.0069 BFGS: 8147 13:12:40 -5646.820213 0.0069 BFGS: 8148 13:12:40 -5646.820213 0.0069 BFGS: 8149 13:12:40 -5646.820213 0.0069 BFGS: 8150 13:12:41 -5646.820213 0.0069 BFGS: 8151 13:12:41 -5646.820213 0.0069 BFGS: 8152 13:12:42 -5646.820213 0.0069 BFGS: 8153 13:12:42 -5646.820213 0.0069 BFGS: 8154 13:12:42 -5646.820213 0.0069 BFGS: 8155 13:12:43 -5646.820213 0.0069 BFGS: 8156 13:12:44 -5646.820213 0.0069 BFGS: 8157 13:12:44 -5646.820213 0.0069 BFGS: 8158 13:12:44 -5646.820213 0.0069 BFGS: 8159 13:12:45 -5646.820213 0.0069 BFGS: 8160 13:12:45 -5646.820213 0.0069 BFGS: 8161 13:12:46 -5646.820213 0.0069 BFGS: 8162 13:12:46 -5646.820213 0.0069 BFGS: 8163 13:12:46 -5646.820213 0.0069 BFGS: 8164 13:12:47 -5646.820213 0.0069 BFGS: 8165 13:12:47 -5646.820213 0.0069 BFGS: 8166 13:12:48 -5646.820213 0.0069 BFGS: 8167 13:12:48 -5646.820213 0.0069 BFGS: 8168 13:12:49 -5646.820213 0.0069 BFGS: 8169 13:12:49 -5646.820213 0.0069 BFGS: 8170 13:12:49 -5646.820213 0.0069 BFGS: 8171 13:12:50 -5646.820213 0.0069 BFGS: 8172 13:12:50 -5646.820213 0.0069 BFGS: 8173 13:12:51 -5646.820213 0.0069 BFGS: 8174 13:12:51 -5646.820213 0.0069 BFGS: 8175 13:12:51 -5646.820213 0.0069 BFGS: 8176 13:12:52 -5646.820213 0.0069 BFGS: 8177 13:12:52 -5646.820213 0.0069 BFGS: 8178 13:12:53 -5646.820213 0.0069 BFGS: 8179 13:12:53 -5646.820213 0.0069 BFGS: 8180 13:12:54 -5646.820213 0.0069 BFGS: 8181 13:12:54 -5646.820213 0.0069 BFGS: 8182 13:12:55 -5646.820213 0.0069 BFGS: 8183 13:12:55 -5646.820213 0.0069 BFGS: 8184 13:12:56 -5646.820213 0.0069 BFGS: 8185 13:12:56 -5646.820213 0.0069 BFGS: 8186 13:12:56 -5646.820213 0.0069 BFGS: 8187 13:12:57 -5646.820213 0.0069 BFGS: 8188 13:12:57 -5646.820213 0.0069 BFGS: 8189 13:12:58 -5646.820213 0.0069 BFGS: 8190 13:12:58 -5646.820213 0.0069 BFGS: 8191 13:12:59 -5646.820213 0.0069 BFGS: 8192 13:12:59 -5646.820213 0.0069 BFGS: 8193 13:12:59 -5646.820213 0.0069 BFGS: 8194 13:13:00 -5646.820213 0.0069 BFGS: 8195 13:13:00 -5646.820213 0.0069 BFGS: 8196 13:13:01 -5646.820213 0.0069 BFGS: 8197 13:13:01 -5646.820213 0.0069 BFGS: 8198 13:13:01 -5646.820213 0.0069 BFGS: 8199 13:13:02 -5646.820213 0.0069 BFGS: 8200 13:13:02 -5646.820213 0.0069 BFGS: 8201 13:13:03 -5646.820213 0.0069 BFGS: 8202 13:13:03 -5646.820213 0.0069 BFGS: 8203 13:13:04 -5646.820213 0.0069 BFGS: 8204 13:13:04 -5646.820213 0.0069 BFGS: 8205 13:13:04 -5646.820213 0.0069 BFGS: 8206 13:13:05 -5646.820213 0.0069 BFGS: 8207 13:13:05 -5646.820213 0.0069 BFGS: 8208 13:13:06 -5646.820213 0.0069 BFGS: 8209 13:13:06 -5646.820213 0.0069 BFGS: 8210 13:13:07 -5646.820213 0.0069 BFGS: 8211 13:13:07 -5646.820213 0.0069 BFGS: 8212 13:13:08 -5646.820213 0.0069 BFGS: 8213 13:13:08 -5646.820213 0.0069 BFGS: 8214 13:13:09 -5646.820213 0.0069 BFGS: 8215 13:13:09 -5646.820213 0.0069 BFGS: 8216 13:13:09 -5646.820213 0.0069 BFGS: 8217 13:13:10 -5646.820213 0.0069 BFGS: 8218 13:13:10 -5646.820213 0.0069 BFGS: 8219 13:13:11 -5646.820213 0.0069 BFGS: 8220 13:13:11 -5646.820213 0.0069 BFGS: 8221 13:13:11 -5646.820213 0.0069 BFGS: 8222 13:13:12 -5646.820213 0.0069 BFGS: 8223 13:13:12 -5646.820213 0.0069 BFGS: 8224 13:13:13 -5646.820213 0.0069 BFGS: 8225 13:13:13 -5646.820213 0.0069 BFGS: 8226 13:13:14 -5646.820213 0.0069 BFGS: 8227 13:13:14 -5646.820213 0.0069 BFGS: 8228 13:13:14 -5646.820213 0.0069 BFGS: 8229 13:13:15 -5646.820213 0.0069 BFGS: 8230 13:13:15 -5646.820213 0.0069 BFGS: 8231 13:13:16 -5646.820213 0.0069 BFGS: 8232 13:13:16 -5646.820213 0.0069 BFGS: 8233 13:13:16 -5646.820213 0.0069 BFGS: 8234 13:13:17 -5646.820213 0.0069 BFGS: 8235 13:13:17 -5646.820213 0.0069 BFGS: 8236 13:13:17 -5646.820213 0.0069 BFGS: 8237 13:13:18 -5646.820213 0.0069 BFGS: 8238 13:13:18 -5646.820213 0.0069 BFGS: 8239 13:13:19 -5646.820213 0.0069 BFGS: 8240 13:13:19 -5646.820213 0.0069 BFGS: 8241 13:13:19 -5646.820213 0.0069 BFGS: 8242 13:13:20 -5646.820213 0.0069 BFGS: 8243 13:13:20 -5646.820213 0.0069 BFGS: 8244 13:13:21 -5646.820213 0.0069 BFGS: 8245 13:13:21 -5646.820213 0.0069 BFGS: 8246 13:13:22 -5646.820213 0.0069 BFGS: 8247 13:13:22 -5646.820213 0.0069 BFGS: 8248 13:13:22 -5646.820213 0.0069 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BFGS: 8299 13:13:42 -5646.820213 0.0069 BFGS: 8300 13:13:43 -5646.820213 0.0069 BFGS: 8301 13:13:43 -5646.820213 0.0069 BFGS: 8302 13:13:43 -5646.820213 0.0069 BFGS: 8303 13:13:44 -5646.820213 0.0069 BFGS: 8304 13:13:44 -5646.820213 0.0069 BFGS: 8305 13:13:45 -5646.820213 0.0069 BFGS: 8306 13:13:45 -5646.820213 0.0069 BFGS: 8307 13:13:46 -5646.820213 0.0069 BFGS: 8308 13:13:46 -5646.820213 0.0069 BFGS: 8309 13:13:46 -5646.820213 0.0069 BFGS: 8310 13:13:47 -5646.820213 0.0069 BFGS: 8311 13:13:47 -5646.820213 0.0069 BFGS: 8312 13:13:48 -5646.820213 0.0069 BFGS: 8313 13:13:48 -5646.820213 0.0069 BFGS: 8314 13:13:49 -5646.820213 0.0069 BFGS: 8315 13:13:49 -5646.820213 0.0069 BFGS: 8316 13:13:50 -5646.820213 0.0069 BFGS: 8317 13:13:50 -5646.820213 0.0069 BFGS: 8318 13:13:50 -5646.820213 0.0069 BFGS: 8319 13:13:51 -5646.820213 0.0069 BFGS: 8320 13:13:51 -5646.820213 0.0069 BFGS: 8321 13:13:52 -5646.820213 0.0069 BFGS: 8322 13:13:52 -5646.820213 0.0069 BFGS: 8323 13:13:53 -5646.820213 0.0069 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BFGS: 8599 13:15:38 -5646.820213 0.0069 BFGS: 8600 13:15:39 -5646.820213 0.0069 BFGS: 8601 13:15:39 -5646.820213 0.0069 BFGS: 8602 13:15:39 -5646.820213 0.0069 BFGS: 8603 13:15:40 -5646.820213 0.0069 BFGS: 8604 13:15:40 -5646.820213 0.0069 BFGS: 8605 13:15:40 -5646.820213 0.0069 BFGS: 8606 13:15:41 -5646.820213 0.0069 BFGS: 8607 13:15:41 -5646.820213 0.0069 BFGS: 8608 13:15:41 -5646.820213 0.0069 BFGS: 8609 13:15:42 -5646.820213 0.0069 BFGS: 8610 13:15:42 -5646.820213 0.0069 BFGS: 8611 13:15:42 -5646.820213 0.0069 BFGS: 8612 13:15:43 -5646.820213 0.0069 BFGS: 8613 13:15:43 -5646.820213 0.0069 BFGS: 8614 13:15:43 -5646.820213 0.0069 BFGS: 8615 13:15:44 -5646.820213 0.0069 BFGS: 8616 13:15:44 -5646.820213 0.0069 BFGS: 8617 13:15:44 -5646.820213 0.0069 BFGS: 8618 13:15:45 -5646.820213 0.0069 BFGS: 8619 13:15:45 -5646.820213 0.0069 BFGS: 8620 13:15:45 -5646.820213 0.0069 BFGS: 8621 13:15:46 -5646.820213 0.0069 BFGS: 8622 13:15:46 -5646.820213 0.0069 BFGS: 8623 13:15:46 -5646.820213 0.0069 BFGS: 8624 13:15:46 -5646.820213 0.0069 BFGS: 8625 13:15:47 -5646.820213 0.0069 BFGS: 8626 13:15:47 -5646.820213 0.0069 BFGS: 8627 13:15:48 -5646.820213 0.0069 BFGS: 8628 13:15:48 -5646.820213 0.0069 BFGS: 8629 13:15:48 -5646.820213 0.0069 BFGS: 8630 13:15:49 -5646.820213 0.0069 BFGS: 8631 13:15:49 -5646.820213 0.0069 BFGS: 8632 13:15:50 -5646.820213 0.0069 BFGS: 8633 13:15:50 -5646.820213 0.0069 BFGS: 8634 13:15:50 -5646.820213 0.0069 BFGS: 8635 13:15:51 -5646.820213 0.0069 BFGS: 8636 13:15:51 -5646.820213 0.0069 BFGS: 8637 13:15:51 -5646.820213 0.0069 BFGS: 8638 13:15:52 -5646.820213 0.0069 BFGS: 8639 13:15:52 -5646.820213 0.0069 BFGS: 8640 13:15:52 -5646.820213 0.0069 BFGS: 8641 13:15:53 -5646.820213 0.0069 BFGS: 8642 13:15:53 -5646.820213 0.0069 BFGS: 8643 13:15:53 -5646.820213 0.0069 BFGS: 8644 13:15:54 -5646.820213 0.0069 BFGS: 8645 13:15:54 -5646.820213 0.0069 BFGS: 8646 13:15:54 -5646.820213 0.0069 BFGS: 8647 13:15:55 -5646.820213 0.0069 BFGS: 8648 13:15:55 -5646.820213 0.0069 BFGS: 8649 13:15:55 -5646.820213 0.0069 BFGS: 8650 13:15:56 -5646.820213 0.0069 BFGS: 8651 13:15:56 -5646.820213 0.0069 BFGS: 8652 13:15:56 -5646.820213 0.0069 BFGS: 8653 13:15:57 -5646.820213 0.0069 BFGS: 8654 13:15:57 -5646.820213 0.0069 BFGS: 8655 13:15:57 -5646.820213 0.0069 BFGS: 8656 13:15:58 -5646.820213 0.0069 BFGS: 8657 13:15:58 -5646.820213 0.0069 BFGS: 8658 13:15:59 -5646.820213 0.0069 BFGS: 8659 13:15:59 -5646.820213 0.0069 BFGS: 8660 13:15:59 -5646.820213 0.0069 BFGS: 8661 13:16:00 -5646.820213 0.0069 BFGS: 8662 13:16:00 -5646.820213 0.0069 BFGS: 8663 13:16:00 -5646.820213 0.0069 BFGS: 8664 13:16:01 -5646.820213 0.0069 BFGS: 8665 13:16:01 -5646.820213 0.0069 BFGS: 8666 13:16:01 -5646.820213 0.0069 BFGS: 8667 13:16:02 -5646.820213 0.0069 BFGS: 8668 13:16:02 -5646.820213 0.0069 BFGS: 8669 13:16:02 -5646.820213 0.0069 BFGS: 8670 13:16:03 -5646.820213 0.0069 BFGS: 8671 13:16:03 -5646.820213 0.0069 BFGS: 8672 13:16:03 -5646.820213 0.0069 BFGS: 8673 13:16:03 -5646.820213 0.0069 BFGS: 8674 13:16:04 -5646.820213 0.0069 BFGS: 8675 13:16:04 -5646.820213 0.0069 BFGS: 8676 13:16:04 -5646.820213 0.0069 BFGS: 8677 13:16:05 -5646.820213 0.0069 BFGS: 8678 13:16:05 -5646.820213 0.0069 BFGS: 8679 13:16:05 -5646.820213 0.0069 BFGS: 8680 13:16:06 -5646.820213 0.0069 BFGS: 8681 13:16:06 -5646.820213 0.0069 BFGS: 8682 13:16:06 -5646.820213 0.0069 BFGS: 8683 13:16:07 -5646.820213 0.0069 BFGS: 8684 13:16:07 -5646.820213 0.0069 BFGS: 8685 13:16:07 -5646.820213 0.0069 BFGS: 8686 13:16:08 -5646.820213 0.0069 BFGS: 8687 13:16:08 -5646.820213 0.0069 BFGS: 8688 13:16:08 -5646.820213 0.0069 BFGS: 8689 13:16:09 -5646.820213 0.0069 BFGS: 8690 13:16:09 -5646.820213 0.0069 BFGS: 8691 13:16:09 -5646.820213 0.0069 BFGS: 8692 13:16:09 -5646.820213 0.0069 BFGS: 8693 13:16:10 -5646.820213 0.0069 BFGS: 8694 13:16:10 -5646.820213 0.0069 BFGS: 8695 13:16:10 -5646.820213 0.0069 BFGS: 8696 13:16:11 -5646.820213 0.0069 BFGS: 8697 13:16:11 -5646.820213 0.0069 BFGS: 8698 13:16:11 -5646.820213 0.0069 BFGS: 8699 13:16:12 -5646.820213 0.0069 BFGS: 8700 13:16:12 -5646.820213 0.0069 BFGS: 8701 13:16:12 -5646.820213 0.0069 BFGS: 8702 13:16:13 -5646.820213 0.0069 BFGS: 8703 13:16:13 -5646.820213 0.0069 BFGS: 8704 13:16:13 -5646.820213 0.0069 BFGS: 8705 13:16:14 -5646.820213 0.0069 BFGS: 8706 13:16:14 -5646.820213 0.0069 BFGS: 8707 13:16:14 -5646.820213 0.0069 BFGS: 8708 13:16:15 -5646.820213 0.0069 BFGS: 8709 13:16:15 -5646.820213 0.0069 BFGS: 8710 13:16:15 -5646.820213 0.0069 BFGS: 8711 13:16:16 -5646.820213 0.0069 BFGS: 8712 13:16:16 -5646.820213 0.0069 BFGS: 8713 13:16:16 -5646.820213 0.0069 BFGS: 8714 13:16:17 -5646.820213 0.0069 BFGS: 8715 13:16:17 -5646.820213 0.0069 BFGS: 8716 13:16:18 -5646.820213 0.0069 BFGS: 8717 13:16:18 -5646.820213 0.0069 BFGS: 8718 13:16:18 -5646.820213 0.0069 BFGS: 8719 13:16:19 -5646.820213 0.0069 BFGS: 8720 13:16:19 -5646.820213 0.0069 BFGS: 8721 13:16:19 -5646.820213 0.0069 BFGS: 8722 13:16:20 -5646.820213 0.0069 BFGS: 8723 13:16:20 -5646.820213 0.0069 BFGS: 8724 13:16:20 -5646.820213 0.0069 BFGS: 8725 13:16:21 -5646.820213 0.0069 BFGS: 8726 13:16:21 -5646.820213 0.0069 BFGS: 8727 13:16:21 -5646.820213 0.0069 BFGS: 8728 13:16:22 -5646.820213 0.0069 BFGS: 8729 13:16:22 -5646.820213 0.0069 BFGS: 8730 13:16:22 -5646.820213 0.0069 BFGS: 8731 13:16:22 -5646.820213 0.0069 BFGS: 8732 13:16:23 -5646.820213 0.0069 BFGS: 8733 13:16:23 -5646.820213 0.0069 BFGS: 8734 13:16:23 -5646.820213 0.0069 BFGS: 8735 13:16:24 -5646.820213 0.0069 BFGS: 8736 13:16:24 -5646.820213 0.0069 BFGS: 8737 13:16:24 -5646.820213 0.0069 BFGS: 8738 13:16:25 -5646.820213 0.0069 BFGS: 8739 13:16:25 -5646.820213 0.0069 BFGS: 8740 13:16:25 -5646.820213 0.0069 BFGS: 8741 13:16:26 -5646.820213 0.0069 BFGS: 8742 13:16:26 -5646.820213 0.0069 BFGS: 8743 13:16:26 -5646.820213 0.0069 BFGS: 8744 13:16:27 -5646.820213 0.0069 BFGS: 8745 13:16:27 -5646.820213 0.0069 BFGS: 8746 13:16:27 -5646.820213 0.0069 BFGS: 8747 13:16:28 -5646.820213 0.0069 BFGS: 8748 13:16:28 -5646.820213 0.0069 BFGS: 8749 13:16:28 -5646.820213 0.0069 BFGS: 8750 13:16:29 -5646.820213 0.0069 BFGS: 8751 13:16:29 -5646.820213 0.0069 BFGS: 8752 13:16:29 -5646.820213 0.0069 BFGS: 8753 13:16:30 -5646.820213 0.0069 BFGS: 8754 13:16:30 -5646.820213 0.0069 BFGS: 8755 13:16:30 -5646.820213 0.0069 BFGS: 8756 13:16:30 -5646.820213 0.0069 BFGS: 8757 13:16:31 -5646.820213 0.0069 BFGS: 8758 13:16:31 -5646.820213 0.0069 BFGS: 8759 13:16:31 -5646.820213 0.0069 BFGS: 8760 13:16:32 -5646.820213 0.0069 BFGS: 8761 13:16:32 -5646.820213 0.0069 BFGS: 8762 13:16:32 -5646.820213 0.0069 BFGS: 8763 13:16:33 -5646.820213 0.0069 BFGS: 8764 13:16:33 -5646.820213 0.0069 BFGS: 8765 13:16:33 -5646.820213 0.0069 BFGS: 8766 13:16:34 -5646.820213 0.0069 BFGS: 8767 13:16:34 -5646.820213 0.0069 BFGS: 8768 13:16:34 -5646.820213 0.0069 BFGS: 8769 13:16:34 -5646.820213 0.0069 BFGS: 8770 13:16:35 -5646.820213 0.0069 BFGS: 8771 13:16:35 -5646.820213 0.0069 BFGS: 8772 13:16:35 -5646.820213 0.0069 BFGS: 8773 13:16:36 -5646.820213 0.0069 BFGS: 8774 13:16:36 -5646.820213 0.0069 BFGS: 8775 13:16:36 -5646.820213 0.0069 BFGS: 8776 13:16:37 -5646.820213 0.0069 BFGS: 8777 13:16:37 -5646.820213 0.0069 BFGS: 8778 13:16:37 -5646.820213 0.0069 BFGS: 8779 13:16:38 -5646.820213 0.0069 BFGS: 8780 13:16:38 -5646.820213 0.0069 BFGS: 8781 13:16:38 -5646.820213 0.0069 BFGS: 8782 13:16:38 -5646.820213 0.0069 BFGS: 8783 13:16:39 -5646.820213 0.0069 BFGS: 8784 13:16:39 -5646.820213 0.0069 BFGS: 8785 13:16:39 -5646.820213 0.0069 BFGS: 8786 13:16:40 -5646.820213 0.0069 BFGS: 8787 13:16:40 -5646.820213 0.0069 BFGS: 8788 13:16:40 -5646.820213 0.0069 BFGS: 8789 13:16:41 -5646.820213 0.0069 BFGS: 8790 13:16:41 -5646.820213 0.0069 BFGS: 8791 13:16:41 -5646.820213 0.0069 BFGS: 8792 13:16:42 -5646.820213 0.0069 BFGS: 8793 13:16:42 -5646.820213 0.0069 BFGS: 8794 13:16:42 -5646.820213 0.0069 BFGS: 8795 13:16:43 -5646.820213 0.0069 BFGS: 8796 13:16:43 -5646.820213 0.0069 BFGS: 8797 13:16:43 -5646.820213 0.0069 BFGS: 8798 13:16:43 -5646.820213 0.0069 BFGS: 8799 13:16:44 -5646.820213 0.0069 BFGS: 8800 13:16:44 -5646.820213 0.0069 BFGS: 8801 13:16:44 -5646.820213 0.0069 BFGS: 8802 13:16:45 -5646.820213 0.0069 BFGS: 8803 13:16:45 -5646.820213 0.0069 BFGS: 8804 13:16:45 -5646.820213 0.0069 BFGS: 8805 13:16:46 -5646.820213 0.0069 BFGS: 8806 13:16:46 -5646.820213 0.0069 BFGS: 8807 13:16:46 -5646.820213 0.0069 BFGS: 8808 13:16:47 -5646.820213 0.0069 BFGS: 8809 13:16:47 -5646.820213 0.0069 BFGS: 8810 13:16:47 -5646.820213 0.0069 BFGS: 8811 13:16:48 -5646.820213 0.0069 BFGS: 8812 13:16:48 -5646.820213 0.0069 BFGS: 8813 13:16:48 -5646.820213 0.0069 BFGS: 8814 13:16:48 -5646.820213 0.0069 BFGS: 8815 13:16:49 -5646.820213 0.0069 BFGS: 8816 13:16:49 -5646.820213 0.0069 BFGS: 8817 13:16:49 -5646.820213 0.0069 BFGS: 8818 13:16:50 -5646.820213 0.0069 BFGS: 8819 13:16:50 -5646.820213 0.0069 BFGS: 8820 13:16:50 -5646.820213 0.0069 BFGS: 8821 13:16:51 -5646.820213 0.0069 BFGS: 8822 13:16:51 -5646.820213 0.0069 BFGS: 8823 13:16:51 -5646.820213 0.0069 BFGS: 8824 13:16:52 -5646.820213 0.0069 BFGS: 8825 13:16:52 -5646.820213 0.0069 BFGS: 8826 13:16:52 -5646.820213 0.0069 BFGS: 8827 13:16:53 -5646.820213 0.0069 BFGS: 8828 13:16:53 -5646.820213 0.0069 BFGS: 8829 13:16:53 -5646.820213 0.0069 BFGS: 8830 13:16:53 -5646.820213 0.0069 BFGS: 8831 13:16:54 -5646.820213 0.0069 BFGS: 8832 13:16:54 -5646.820213 0.0069 BFGS: 8833 13:16:54 -5646.820213 0.0069 BFGS: 8834 13:16:55 -5646.820213 0.0069 BFGS: 8835 13:16:55 -5646.820213 0.0069 BFGS: 8836 13:16:55 -5646.820213 0.0069 BFGS: 8837 13:16:56 -5646.820213 0.0069 BFGS: 8838 13:16:56 -5646.820213 0.0069 BFGS: 8839 13:16:56 -5646.820213 0.0069 BFGS: 8840 13:16:56 -5646.820213 0.0069 BFGS: 8841 13:16:57 -5646.820213 0.0069 BFGS: 8842 13:16:57 -5646.820213 0.0069 BFGS: 8843 13:16:57 -5646.820213 0.0069 BFGS: 8844 13:16:58 -5646.820213 0.0069 BFGS: 8845 13:16:58 -5646.820213 0.0069 BFGS: 8846 13:16:58 -5646.820213 0.0069 BFGS: 8847 13:16:59 -5646.820213 0.0069 BFGS: 8848 13:16:59 -5646.820213 0.0069 BFGS: 8849 13:16:59 -5646.820213 0.0069 BFGS: 8850 13:16:59 -5646.820213 0.0069 BFGS: 8851 13:17:00 -5646.820213 0.0069 BFGS: 8852 13:17:00 -5646.820213 0.0069 BFGS: 8853 13:17:00 -5646.820213 0.0069 BFGS: 8854 13:17:01 -5646.820213 0.0069 BFGS: 8855 13:17:01 -5646.820213 0.0069 BFGS: 8856 13:17:01 -5646.820213 0.0069 BFGS: 8857 13:17:02 -5646.820213 0.0069 BFGS: 8858 13:17:02 -5646.820213 0.0069 BFGS: 8859 13:17:02 -5646.820213 0.0069 BFGS: 8860 13:17:03 -5646.820213 0.0069 BFGS: 8861 13:17:03 -5646.820213 0.0069 BFGS: 8862 13:17:03 -5646.820213 0.0069 BFGS: 8863 13:17:03 -5646.820213 0.0069 BFGS: 8864 13:17:04 -5646.820213 0.0069 BFGS: 8865 13:17:04 -5646.820213 0.0069 BFGS: 8866 13:17:04 -5646.820213 0.0069 BFGS: 8867 13:17:05 -5646.820213 0.0069 BFGS: 8868 13:17:05 -5646.820213 0.0069 BFGS: 8869 13:17:05 -5646.820213 0.0069 BFGS: 8870 13:17:06 -5646.820213 0.0069 BFGS: 8871 13:17:06 -5646.820213 0.0069 BFGS: 8872 13:17:06 -5646.820213 0.0069 BFGS: 8873 13:17:06 -5646.820213 0.0069 BFGS: 8874 13:17:07 -5646.820213 0.0069 BFGS: 8875 13:17:07 -5646.820213 0.0069 BFGS: 8876 13:17:07 -5646.820213 0.0069 BFGS: 8877 13:17:08 -5646.820213 0.0069 BFGS: 8878 13:17:08 -5646.820213 0.0069 BFGS: 8879 13:17:08 -5646.820213 0.0069 BFGS: 8880 13:17:09 -5646.820213 0.0069 BFGS: 8881 13:17:09 -5646.820213 0.0069 BFGS: 8882 13:17:09 -5646.820213 0.0069 BFGS: 8883 13:17:10 -5646.820213 0.0069 BFGS: 8884 13:17:10 -5646.820213 0.0069 BFGS: 8885 13:17:10 -5646.820213 0.0069 BFGS: 8886 13:17:11 -5646.820213 0.0069 BFGS: 8887 13:17:11 -5646.820213 0.0069 BFGS: 8888 13:17:11 -5646.820213 0.0069 BFGS: 8889 13:17:12 -5646.820213 0.0069 BFGS: 8890 13:17:12 -5646.820213 0.0069 BFGS: 8891 13:17:12 -5646.820213 0.0069 BFGS: 8892 13:17:12 -5646.820213 0.0069 BFGS: 8893 13:17:13 -5646.820213 0.0069 BFGS: 8894 13:17:13 -5646.820213 0.0069 BFGS: 8895 13:17:13 -5646.820213 0.0069 BFGS: 8896 13:17:14 -5646.820213 0.0069 BFGS: 8897 13:17:14 -5646.820213 0.0069 BFGS: 8898 13:17:14 -5646.820213 0.0069 BFGS: 8899 13:17:15 -5646.820213 0.0069 BFGS: 8900 13:17:15 -5646.820213 0.0069 BFGS: 8901 13:17:15 -5646.820213 0.0069 BFGS: 8902 13:17:15 -5646.820213 0.0069 BFGS: 8903 13:17:16 -5646.820213 0.0069 BFGS: 8904 13:17:16 -5646.820213 0.0069 BFGS: 8905 13:17:16 -5646.820213 0.0069 BFGS: 8906 13:17:17 -5646.820213 0.0069 BFGS: 8907 13:17:17 -5646.820213 0.0069 BFGS: 8908 13:17:17 -5646.820213 0.0069 BFGS: 8909 13:17:18 -5646.820213 0.0069 BFGS: 8910 13:17:18 -5646.820213 0.0069 BFGS: 8911 13:17:18 -5646.820213 0.0069 BFGS: 8912 13:17:18 -5646.820213 0.0069 BFGS: 8913 13:17:19 -5646.820213 0.0069 BFGS: 8914 13:17:19 -5646.820213 0.0069 BFGS: 8915 13:17:19 -5646.820213 0.0069 BFGS: 8916 13:17:20 -5646.820213 0.0069 BFGS: 8917 13:17:20 -5646.820213 0.0069 BFGS: 8918 13:17:20 -5646.820213 0.0069 BFGS: 8919 13:17:21 -5646.820213 0.0069 BFGS: 8920 13:17:21 -5646.820213 0.0069 BFGS: 8921 13:17:21 -5646.820213 0.0069 BFGS: 8922 13:17:21 -5646.820213 0.0069 BFGS: 8923 13:17:22 -5646.820213 0.0069 BFGS: 8924 13:17:22 -5646.820213 0.0069 BFGS: 8925 13:17:22 -5646.820213 0.0069 BFGS: 8926 13:17:23 -5646.820213 0.0069 BFGS: 8927 13:17:23 -5646.820213 0.0069 BFGS: 8928 13:17:23 -5646.820213 0.0069 BFGS: 8929 13:17:24 -5646.820213 0.0069 BFGS: 8930 13:17:24 -5646.820213 0.0069 BFGS: 8931 13:17:24 -5646.820213 0.0069 BFGS: 8932 13:17:25 -5646.820213 0.0069 BFGS: 8933 13:17:25 -5646.820213 0.0069 BFGS: 8934 13:17:25 -5646.820213 0.0069 BFGS: 8935 13:17:26 -5646.820213 0.0069 BFGS: 8936 13:17:26 -5646.820213 0.0069 BFGS: 8937 13:17:26 -5646.820213 0.0069 BFGS: 8938 13:17:27 -5646.820213 0.0069 BFGS: 8939 13:17:27 -5646.820213 0.0069 BFGS: 8940 13:17:27 -5646.820213 0.0069 BFGS: 8941 13:17:28 -5646.820213 0.0069 BFGS: 8942 13:17:28 -5646.820213 0.0069 BFGS: 8943 13:17:28 -5646.820213 0.0069 BFGS: 8944 13:17:28 -5646.820213 0.0069 BFGS: 8945 13:17:29 -5646.820213 0.0069 BFGS: 8946 13:17:29 -5646.820213 0.0069 BFGS: 8947 13:17:29 -5646.820213 0.0069 BFGS: 8948 13:17:30 -5646.820213 0.0069 BFGS: 8949 13:17:30 -5646.820213 0.0069 BFGS: 8950 13:17:30 -5646.820213 0.0069 BFGS: 8951 13:17:31 -5646.820213 0.0069 BFGS: 8952 13:17:31 -5646.820213 0.0069 BFGS: 8953 13:17:31 -5646.820213 0.0069 BFGS: 8954 13:17:32 -5646.820213 0.0069 BFGS: 8955 13:17:32 -5646.820213 0.0069 BFGS: 8956 13:17:33 -5646.820213 0.0069 BFGS: 8957 13:17:33 -5646.820213 0.0069 BFGS: 8958 13:17:33 -5646.820213 0.0069 BFGS: 8959 13:17:34 -5646.820213 0.0069 BFGS: 8960 13:17:34 -5646.820213 0.0069 BFGS: 8961 13:17:34 -5646.820213 0.0069 BFGS: 8962 13:17:34 -5646.820213 0.0069 BFGS: 8963 13:17:35 -5646.820213 0.0069 BFGS: 8964 13:17:35 -5646.820213 0.0069 BFGS: 8965 13:17:36 -5646.820213 0.0069 BFGS: 8966 13:17:36 -5646.820213 0.0069 BFGS: 8967 13:17:36 -5646.820213 0.0069 BFGS: 8968 13:17:37 -5646.820213 0.0069 BFGS: 8969 13:17:37 -5646.820213 0.0069 BFGS: 8970 13:17:37 -5646.820213 0.0069 BFGS: 8971 13:17:38 -5646.820213 0.0069 BFGS: 8972 13:17:38 -5646.820213 0.0069 BFGS: 8973 13:17:38 -5646.820213 0.0069 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BFGS: 9074 13:18:11 -5646.820213 0.0069 BFGS: 9075 13:18:11 -5646.820213 0.0069 BFGS: 9076 13:18:11 -5646.820213 0.0069 BFGS: 9077 13:18:12 -5646.820213 0.0069 BFGS: 9078 13:18:12 -5646.820213 0.0069 BFGS: 9079 13:18:12 -5646.820213 0.0069 BFGS: 9080 13:18:13 -5646.820213 0.0069 BFGS: 9081 13:18:13 -5646.820213 0.0069 BFGS: 9082 13:18:13 -5646.820213 0.0069 BFGS: 9083 13:18:14 -5646.820213 0.0069 BFGS: 9084 13:18:14 -5646.820213 0.0069 BFGS: 9085 13:18:14 -5646.820213 0.0069 BFGS: 9086 13:18:15 -5646.820213 0.0069 BFGS: 9087 13:18:15 -5646.820213 0.0069 BFGS: 9088 13:18:15 -5646.820213 0.0069 BFGS: 9089 13:18:16 -5646.820213 0.0069 BFGS: 9090 13:18:16 -5646.820213 0.0069 BFGS: 9091 13:18:16 -5646.820213 0.0069 BFGS: 9092 13:18:17 -5646.820213 0.0069 BFGS: 9093 13:18:17 -5646.820213 0.0069 BFGS: 9094 13:18:17 -5646.820213 0.0069 BFGS: 9095 13:18:18 -5646.820213 0.0069 BFGS: 9096 13:18:18 -5646.820213 0.0069 BFGS: 9097 13:18:18 -5646.820213 0.0069 BFGS: 9098 13:18:19 -5646.820213 0.0069 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BFGS: 9924 13:22:35 -5646.820213 0.0069 BFGS: 9925 13:22:35 -5646.820213 0.0069 BFGS: 9926 13:22:36 -5646.820213 0.0069 BFGS: 9927 13:22:36 -5646.820213 0.0069 BFGS: 9928 13:22:36 -5646.820213 0.0069 BFGS: 9929 13:22:37 -5646.820213 0.0069 BFGS: 9930 13:22:37 -5646.820213 0.0069 BFGS: 9931 13:22:37 -5646.820213 0.0069 BFGS: 9932 13:22:38 -5646.820213 0.0069 BFGS: 9933 13:22:38 -5646.820213 0.0069 BFGS: 9934 13:22:38 -5646.820213 0.0069 BFGS: 9935 13:22:38 -5646.820213 0.0069 BFGS: 9936 13:22:39 -5646.820213 0.0069 BFGS: 9937 13:22:39 -5646.820213 0.0069 BFGS: 9938 13:22:39 -5646.820213 0.0069 BFGS: 9939 13:22:40 -5646.820213 0.0069 BFGS: 9940 13:22:40 -5646.820213 0.0069 BFGS: 9941 13:22:40 -5646.820213 0.0069 BFGS: 9942 13:22:40 -5646.820213 0.0069 BFGS: 9943 13:22:41 -5646.820213 0.0069 BFGS: 9944 13:22:41 -5646.820213 0.0069 BFGS: 9945 13:22:41 -5646.820213 0.0069 BFGS: 9946 13:22:42 -5646.820213 0.0069 BFGS: 9947 13:22:42 -5646.820213 0.0069 BFGS: 9948 13:22:42 -5646.820213 0.0069 BFGS: 9949 13:22:43 -5646.820213 0.0069 BFGS: 9950 13:22:43 -5646.820213 0.0069 BFGS: 9951 13:22:43 -5646.820213 0.0069 BFGS: 9952 13:22:43 -5646.820213 0.0069 BFGS: 9953 13:22:44 -5646.820213 0.0069 BFGS: 9954 13:22:44 -5646.820213 0.0069 BFGS: 9955 13:22:44 -5646.820213 0.0069 BFGS: 9956 13:22:45 -5646.820213 0.0069 BFGS: 9957 13:22:45 -5646.820213 0.0069 BFGS: 9958 13:22:45 -5646.820213 0.0069 BFGS: 9959 13:22:46 -5646.820213 0.0069 BFGS: 9960 13:22:46 -5646.820213 0.0069 BFGS: 9961 13:22:46 -5646.820213 0.0069 BFGS: 9962 13:22:46 -5646.820213 0.0069 BFGS: 9963 13:22:47 -5646.820213 0.0069 BFGS: 9964 13:22:47 -5646.820213 0.0069 BFGS: 9965 13:22:47 -5646.820213 0.0069 BFGS: 9966 13:22:48 -5646.820213 0.0069 BFGS: 9967 13:22:48 -5646.820213 0.0069 BFGS: 9968 13:22:48 -5646.820213 0.0069 BFGS: 9969 13:22:49 -5646.820213 0.0069 BFGS: 9970 13:22:49 -5646.820213 0.0069 BFGS: 9971 13:22:49 -5646.820213 0.0069 BFGS: 9972 13:22:50 -5646.820213 0.0069 BFGS: 9973 13:22:50 -5646.820213 0.0069 BFGS: 9974 13:22:50 -5646.820213 0.0069 BFGS: 9975 13:22:51 -5646.820213 0.0069 BFGS: 9976 13:22:51 -5646.820213 0.0069 BFGS: 9977 13:22:51 -5646.820213 0.0069 BFGS: 9978 13:22:51 -5646.820213 0.0069 BFGS: 9979 13:22:52 -5646.820213 0.0069 BFGS: 9980 13:22:52 -5646.820213 0.0069 BFGS: 9981 13:22:52 -5646.820213 0.0069 BFGS: 9982 13:22:53 -5646.820213 0.0069 BFGS: 9983 13:22:53 -5646.820213 0.0069 BFGS: 9984 13:22:53 -5646.820213 0.0069 BFGS: 9985 13:22:53 -5646.820213 0.0069 BFGS: 9986 13:22:54 -5646.820213 0.0069 BFGS: 9987 13:22:54 -5646.820213 0.0069 BFGS: 9988 13:22:54 -5646.820213 0.0069 BFGS: 9989 13:22:55 -5646.820213 0.0069 BFGS: 9990 13:22:55 -5646.820213 0.0069 BFGS: 9991 13:22:55 -5646.820213 0.0069 BFGS: 9992 13:22:56 -5646.820213 0.0069 BFGS: 9993 13:22:56 -5646.820213 0.0069 BFGS: 9994 13:22:56 -5646.820213 0.0069 BFGS: 9995 13:22:56 -5646.820213 0.0069 BFGS: 9996 13:22:57 -5646.820213 0.0069 BFGS: 9997 13:22:57 -5646.820213 0.0069 BFGS: 9998 13:22:57 -5646.820213 0.0069 BFGS: 9999 13:22:58 -5646.820213 0.0069 BFGS: 10000 13:22:58 -5646.820213 0.0069 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.004317300198913319 eV/Angstrom Maximum stress component: 0.006193497023917249 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', '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 = [[0.00000000e+00 0.00000000e+00 9.50441892e-01] [0.00000000e+00 5.00000000e-01 4.50441892e-01] [5.00000000e-01 0.00000000e+00 4.50441892e-01] [5.00000000e-01 5.00000000e-01 9.50441892e-01] [0.00000000e+00 1.31719970e-01 3.89892836e-01] [9.68770180e-32 8.68280030e-01 3.89892836e-01] [0.00000000e+00 6.31719970e-01 8.89892836e-01] [3.50336813e-31 3.68280030e-01 8.89892836e-01] [5.00000000e-01 1.31719970e-01 8.89892836e-01] [5.00000000e-01 8.68280030e-01 8.89892836e-01] [5.00000000e-01 6.31719970e-01 3.89892836e-01] [5.00000000e-01 3.68280030e-01 3.89892836e-01] [1.15388032e-35 3.99774388e-02 7.53477728e-02] [0.00000000e+00 9.60022561e-01 7.53477728e-02] [0.00000000e+00 5.39977439e-01 5.75347773e-01] [0.00000000e+00 4.60022561e-01 5.75347773e-01] [5.00000000e-01 3.99774388e-02 5.75347773e-01] [5.00000000e-01 9.60022561e-01 5.75347773e-01] [5.00000000e-01 5.39977439e-01 7.53477728e-02] [5.00000000e-01 4.60022561e-01 7.53477728e-02] [0.00000000e+00 4.14464469e-01 7.70499551e-01] [4.12282933e-35 5.85535531e-01 7.70499551e-01] [1.29469183e-34 9.14464469e-01 2.70499551e-01] [0.00000000e+00 8.55355315e-02 2.70499551e-01] [5.00000000e-01 4.14464469e-01 2.70499551e-01] [5.00000000e-01 5.85535531e-01 2.70499551e-01] [5.00000000e-01 9.14464469e-01 7.70499551e-01] [5.00000000e-01 8.55355315e-02 7.70499551e-01] [1.45860602e-01 1.01390677e-01 1.89122019e-01] [8.54139398e-01 8.98609323e-01 1.89122019e-01] [1.45860602e-01 8.98609323e-01 1.89122019e-01] [8.54139398e-01 1.01390677e-01 1.89122019e-01] [1.45860602e-01 6.01390677e-01 6.89122019e-01] [8.54139398e-01 3.98609323e-01 6.89122019e-01] [1.45860602e-01 3.98609323e-01 6.89122019e-01] [8.54139398e-01 6.01390677e-01 6.89122019e-01] [6.45860602e-01 1.01390677e-01 6.89122019e-01] [3.54139398e-01 8.98609323e-01 6.89122019e-01] [6.45860602e-01 8.98609323e-01 6.89122019e-01] [3.54139398e-01 1.01390677e-01 6.89122019e-01] [6.45860602e-01 6.01390677e-01 1.89122019e-01] [3.54139398e-01 3.98609323e-01 1.89122019e-01] [6.45860602e-01 3.98609323e-01 1.89122019e-01] [3.54139398e-01 6.01390677e-01 1.89122019e-01] [2.15401347e-01 9.27240310e-02 3.34040228e-01] [7.84598653e-01 9.07275969e-01 3.34040228e-01] [2.15401347e-01 9.07275969e-01 3.34040228e-01] [7.84598653e-01 9.27240310e-02 3.34040228e-01] [2.15401347e-01 5.92724031e-01 8.34040228e-01] [7.84598653e-01 4.07275969e-01 8.34040228e-01] [2.15401347e-01 4.07275969e-01 8.34040228e-01] [7.84598653e-01 5.92724031e-01 8.34040228e-01] [7.15401347e-01 9.27240310e-02 8.34040228e-01] [2.84598653e-01 9.07275969e-01 8.34040228e-01] [7.15401347e-01 9.07275969e-01 8.34040228e-01] [2.84598653e-01 9.27240310e-02 8.34040228e-01] [7.15401347e-01 5.92724031e-01 3.34040228e-01] [2.84598653e-01 4.07275969e-01 3.34040228e-01] [7.15401347e-01 4.07275969e-01 3.34040228e-01] [2.84598653e-01 5.92724031e-01 3.34040228e-01] [1.16117349e-01 2.98543826e-02 4.59697863e-01] [8.83882651e-01 9.70145617e-01 4.59697863e-01] [1.16117349e-01 9.70145617e-01 4.59697863e-01] [8.83882651e-01 2.98543826e-02 4.59697863e-01] [1.16117349e-01 5.29854383e-01 9.59697863e-01] [8.83882651e-01 4.70145617e-01 9.59697863e-01] [1.16117349e-01 4.70145617e-01 9.59697863e-01] [8.83882651e-01 5.29854383e-01 9.59697863e-01] [6.16117349e-01 2.98543826e-02 9.59697863e-01] [3.83882651e-01 9.70145617e-01 9.59697863e-01] [6.16117349e-01 9.70145617e-01 9.59697863e-01] [3.83882651e-01 2.98543826e-02 9.59697863e-01] [6.16117349e-01 5.29854383e-01 4.59697863e-01] [3.83882651e-01 4.70145617e-01 4.59697863e-01] [6.16117349e-01 4.70145617e-01 4.59697863e-01] [3.83882651e-01 5.29854383e-01 4.59697863e-01] [1.95895430e-01 4.39673532e-02 9.97247348e-01] [8.04104570e-01 9.56032647e-01 9.97247348e-01] [1.95895430e-01 9.56032647e-01 9.97247348e-01] [8.04104570e-01 4.39673532e-02 9.97247348e-01] [1.95895430e-01 5.43967353e-01 4.97247348e-01] [8.04104570e-01 4.56032647e-01 4.97247348e-01] [1.95895430e-01 4.56032647e-01 4.97247348e-01] [8.04104570e-01 5.43967353e-01 4.97247348e-01] [6.95895430e-01 4.39673532e-02 4.97247348e-01] [3.04104570e-01 9.56032647e-01 4.97247348e-01] [6.95895430e-01 9.56032647e-01 4.97247348e-01] [3.04104570e-01 4.39673532e-02 4.97247348e-01] [6.95895430e-01 5.43967353e-01 9.97247348e-01] [3.04104570e-01 4.56032647e-01 9.97247348e-01] [6.95895430e-01 4.56032647e-01 9.97247348e-01] [3.04104570e-01 5.43967353e-01 9.97247348e-01] [2.52728469e-01 5.00489864e-02 2.47544362e-01] [7.47271531e-01 9.49951014e-01 2.47544362e-01] [2.52728469e-01 9.49951014e-01 2.47544362e-01] [7.47271531e-01 5.00489864e-02 2.47544362e-01] [2.52728469e-01 5.50048986e-01 7.47544362e-01] [7.47271531e-01 4.49951014e-01 7.47544362e-01] [2.52728469e-01 4.49951014e-01 7.47544362e-01] [7.47271531e-01 5.50048986e-01 7.47544362e-01] [7.52728469e-01 5.00489864e-02 7.47544362e-01] [2.47271531e-01 9.49951014e-01 7.47544362e-01] [7.52728469e-01 9.49951014e-01 7.47544362e-01] [2.47271531e-01 5.00489864e-02 7.47544362e-01] [7.52728469e-01 5.50048986e-01 2.47544362e-01] [2.47271531e-01 4.49951014e-01 2.47544362e-01] [7.52728469e-01 4.49951014e-01 2.47544362e-01] [2.47271531e-01 5.50048986e-01 2.47544362e-01] [0.00000000e+00 0.00000000e+00 6.15490740e-01] [0.00000000e+00 5.00000000e-01 1.15490740e-01] [5.00000000e-01 0.00000000e+00 1.15490740e-01] [5.00000000e-01 5.00000000e-01 6.15490740e-01] [0.00000000e+00 0.00000000e+00 2.96344620e-01] [0.00000000e+00 5.00000000e-01 7.96344620e-01] [5.00000000e-01 0.00000000e+00 7.96344620e-01] [5.00000000e-01 5.00000000e-01 2.96344620e-01] [0.00000000e+00 5.80657853e-01 4.97342142e-01] [2.23010221e-35 4.19342147e-01 4.97342142e-01] [6.10419109e-35 8.06578534e-02 9.97342142e-01] [0.00000000e+00 9.19342147e-01 9.97342142e-01] [5.00000000e-01 5.80657853e-01 9.97342142e-01] [5.00000000e-01 4.19342147e-01 9.97342142e-01] [5.00000000e-01 8.06578534e-02 4.97342142e-01] [5.00000000e-01 9.19342147e-01 4.97342142e-01] [0.00000000e+00 1.36628994e-01 4.58782481e-02] [1.28009324e-34 8.63371006e-01 4.58782481e-02] [3.38392745e-35 6.36628994e-01 5.45878248e-01] [0.00000000e+00 3.63371006e-01 5.45878248e-01] [5.00000000e-01 1.36628994e-01 5.45878248e-01] [5.00000000e-01 8.63371006e-01 5.45878248e-01] [5.00000000e-01 6.36628994e-01 4.58782481e-02] [5.00000000e-01 3.63371006e-01 4.58782481e-02] [0.00000000e+00 1.12933438e-01 7.29878841e-01] [1.50165954e-35 8.87066562e-01 7.29878841e-01] [2.38974149e-35 6.12933438e-01 2.29878841e-01] [2.17609856e-35 3.87066562e-01 2.29878841e-01] [5.00000000e-01 1.12933438e-01 2.29878841e-01] [5.00000000e-01 8.87066562e-01 2.29878841e-01] [5.00000000e-01 6.12933438e-01 7.29878841e-01] [5.00000000e-01 3.87066562e-01 7.29878841e-01] [0.00000000e+00 7.27933486e-02 4.98327413e-01] [0.00000000e+00 9.27206651e-01 4.98327413e-01] [4.71678856e-35 5.72793349e-01 9.98327413e-01] [0.00000000e+00 4.27206651e-01 9.98327413e-01] [5.00000000e-01 7.27933486e-02 9.98327413e-01] [5.00000000e-01 9.27206651e-01 9.98327413e-01] [5.00000000e-01 5.72793349e-01 4.98327413e-01] [5.00000000e-01 4.27206651e-01 4.98327413e-01]] cellpar = Cell([2.6001932223764275, 21.491395715467863, 3.92843087211506]) forces = [[ 0.00000000e+00 0.00000000e+00 -2.69342142e-03] [ 0.00000000e+00 0.00000000e+00 -2.69342142e-03] [ 0.00000000e+00 0.00000000e+00 -2.69342142e-03] [ 0.00000000e+00 0.00000000e+00 -2.69342142e-03] [ 0.00000000e+00 -2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 -2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 -2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 -2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 2.35110973e-04 -3.36483186e-03] [ 0.00000000e+00 -6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 -6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 -6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 -6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 6.68577528e-04 -4.73961101e-04] [ 0.00000000e+00 4.17621986e-04 8.68338212e-04] [ 0.00000000e+00 -4.17621986e-04 8.68338212e-04] [ 0.00000000e+00 4.17621986e-04 8.68338212e-04] [ 0.00000000e+00 -4.17621986e-04 8.68338212e-04] [ 0.00000000e+00 4.17621986e-04 8.68338212e-04] [ 0.00000000e+00 -4.17621986e-04 8.68338212e-04] [ 0.00000000e+00 4.17621986e-04 8.68338212e-04] [ 0.00000000e+00 -4.17621986e-04 8.68338212e-04] [-1.58403373e-03 -1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 1.33325689e-04 7.43575363e-04] [-1.58403373e-03 1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 -1.33325689e-04 7.43575363e-04] [-1.58403373e-03 -1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 1.33325689e-04 7.43575363e-04] [-1.58403373e-03 1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 -1.33325689e-04 7.43575363e-04] [-1.58403373e-03 -1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 1.33325689e-04 7.43575363e-04] [-1.58403373e-03 1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 -1.33325689e-04 7.43575363e-04] [-1.58403373e-03 -1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 1.33325689e-04 7.43575363e-04] [-1.58403373e-03 1.33325689e-04 7.43575363e-04] [ 1.58403373e-03 -1.33325689e-04 7.43575363e-04] [-1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 6.44592361e-04 -9.53878510e-04] [-1.64437206e-03 6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [-1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 6.44592361e-04 -9.53878510e-04] [-1.64437206e-03 6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [-1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 6.44592361e-04 -9.53878510e-04] [-1.64437206e-03 6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [-1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 6.44592361e-04 -9.53878510e-04] [-1.64437206e-03 6.44592361e-04 -9.53878510e-04] [ 1.64437206e-03 -6.44592361e-04 -9.53878510e-04] [ 3.15562040e-03 2.62871582e-04 3.44744154e-04] [-3.15562040e-03 -2.62871582e-04 3.44744154e-04] [ 3.15562040e-03 -2.62871582e-04 3.44744154e-04] [-3.15562040e-03 2.62871582e-04 3.44744154e-04] [ 3.15562040e-03 2.62871582e-04 3.44744154e-04] [-3.15562040e-03 -2.62871582e-04 3.44744154e-04] [ 3.15562040e-03 -2.62871582e-04 3.44744154e-04] [-3.15562040e-03 2.62871582e-04 3.44744154e-04] [ 3.15562040e-03 2.62871582e-04 3.44744154e-04] [-3.15562040e-03 -2.62871582e-04 3.44744154e-04] [ 3.15562040e-03 -2.62871582e-04 3.44744154e-04] [-3.15562040e-03 2.62871582e-04 3.44744154e-04] [ 3.15562040e-03 2.62871582e-04 3.44744154e-04] [-3.15562040e-03 -2.62871582e-04 3.44744154e-04] [ 3.15562040e-03 -2.62871582e-04 3.44744154e-04] [-3.15562040e-03 2.62871582e-04 3.44744154e-04] [ 9.53019344e-04 -3.49338278e-04 2.63749353e-03] [-9.53019344e-04 3.49338278e-04 2.63749353e-03] [ 9.53019344e-04 3.49338278e-04 2.63749353e-03] [-9.53019344e-04 -3.49338278e-04 2.63749353e-03] [ 9.53019344e-04 -3.49338278e-04 2.63749353e-03] [-9.53019344e-04 3.49338278e-04 2.63749353e-03] [ 9.53019344e-04 3.49338278e-04 2.63749353e-03] [-9.53019344e-04 -3.49338278e-04 2.63749353e-03] [ 9.53019344e-04 -3.49338278e-04 2.63749353e-03] [-9.53019344e-04 3.49338278e-04 2.63749353e-03] [ 9.53019344e-04 3.49338278e-04 2.63749353e-03] [-9.53019344e-04 -3.49338278e-04 2.63749353e-03] [ 9.53019344e-04 -3.49338278e-04 2.63749353e-03] [-9.53019344e-04 3.49338278e-04 2.63749353e-03] [ 9.53019344e-04 3.49338278e-04 2.63749353e-03] [-9.53019344e-04 -3.49338278e-04 2.63749353e-03] [-1.00725004e-03 1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [-1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 1.49563299e-04 -1.68973596e-03] [-1.00725004e-03 1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [-1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 1.49563299e-04 -1.68973596e-03] [-1.00725004e-03 1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [-1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 1.49563299e-04 -1.68973596e-03] [-1.00725004e-03 1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [-1.00725004e-03 -1.49563299e-04 -1.68973596e-03] [ 1.00725004e-03 1.49563299e-04 -1.68973596e-03] [ 0.00000000e+00 0.00000000e+00 5.42430397e-04] [ 0.00000000e+00 0.00000000e+00 5.42430397e-04] [ 0.00000000e+00 0.00000000e+00 5.42430397e-04] [ 0.00000000e+00 0.00000000e+00 5.42430397e-04] [ 0.00000000e+00 0.00000000e+00 4.31730020e-03] [ 0.00000000e+00 0.00000000e+00 4.31730020e-03] [ 0.00000000e+00 0.00000000e+00 4.31730020e-03] [ 0.00000000e+00 0.00000000e+00 4.31730020e-03] [ 0.00000000e+00 1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 -1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 -1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 -1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 -1.09862469e-04 -9.31317585e-04] [ 0.00000000e+00 2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 -2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 -2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 -2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 -2.58263531e-04 2.99408745e-03] [ 0.00000000e+00 -8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 -8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 -8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 -8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 8.46422960e-05 1.15500009e-03] [ 0.00000000e+00 -6.58810755e-04 -3.49486696e-03] [ 0.00000000e+00 6.58810755e-04 -3.49486696e-03] [ 0.00000000e+00 -6.58810755e-04 -3.49486696e-03] [ 0.00000000e+00 6.58810755e-04 -3.49486696e-03] [ 0.00000000e+00 -6.58810755e-04 -3.49486696e-03] [ 0.00000000e+00 6.58810755e-04 -3.49486696e-03] [ 0.00000000e+00 -6.58810755e-04 -3.49486696e-03] [ 0.00000000e+00 6.58810755e-04 -3.49486696e-03]] stress = [-0.00014442 0.0061935 0.0009287 0. 0. 0. ] energy per atom = -38.154190631596315 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0