element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: AB3C5D4_oP52_19_a_3a_5a_4a Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.274', '1.8472696', '2.1609025', '0.51748051', '0.45450127', '0.41433373', '0.49110745', '0.65742219', '0.44186075', '0.74044886', '0.60356929', '0.34581704', '0.5784034', '0.24537367', '0.37506486', '0.17961819', '0.49030208', '0.54233154', '0.33166403', '0.40325657', '0.48304659', '0.59057556', '0.58262262', '0.3994517', '0.63269213', '0.34653622', '0.35558291', '0.84533336', '0.35381497', '0.28470207', '0.19218306', '0.61859283', '0.5350021', '0.0154493', '0.43247762', '0.60595435', '0.95218938', '0.46586001', '0.27051962', '0.9101741', '0.24351277', '0.24089544'] model name: Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O'] representative atom coordinates = [[0.51748051 0.45450127 0.41433373] [0.49110745 0.65742219 0.44186075] [0.74044886 0.60356929 0.34581704] [0.5784034 0.24537367 0.37506486] [0.17961819 0.49030208 0.54233154] [0.33166403 0.40325657 0.48304659] [0.59057556 0.58262262 0.3994517 ] [0.63269213 0.34653622 0.35558291] [0.84533336 0.35381497 0.28470207] [0.19218306 0.61859283 0.5350021 ] [0.0154493 0.43247762 0.60595435] [0.95218938 0.46586001 0.27051962] [0.9101741 0.24351277 0.24089544]] spacegroup = 19 cell = [[5.274, 0, 0], [0, 9.7425, 0], [0, 0, 11.3966]] ========================================= Step Time Energy fmax BFGS: 0 21:12:32 -189.233039 14.2186 BFGS: 1 21:12:32 -194.588105 12.4510 BFGS: 2 21:12:32 -205.372492 25.3498 BFGS: 3 21:12:33 -203.831868 17.0445 BFGS: 4 21:12:34 -206.028079 16.3368 BFGS: 5 21:12:35 -207.595626 20.0836 BFGS: 6 21:12:36 -209.736072 5.5954 BFGS: 7 21:12:36 -209.830057 6.4813 BFGS: 8 21:12:38 -210.960521 3.9022 BFGS: 9 21:12:39 -211.330785 4.3475 BFGS: 10 21:12:40 -211.899202 2.8869 BFGS: 11 21:12:41 -212.795523 3.0482 BFGS: 12 21:12:43 -213.559354 3.8971 BFGS: 13 21:12:44 -214.074201 4.5118 BFGS: 14 21:12:45 -214.655089 4.0249 BFGS: 15 21:12:46 -215.150426 4.8158 BFGS: 16 21:12:47 -215.376829 3.0258 BFGS: 17 21:12:47 -215.512194 2.7959 BFGS: 18 21:12:49 -215.634448 1.0585 BFGS: 19 21:12:50 -215.705447 1.4295 BFGS: 20 21:12:52 -215.783765 0.7609 BFGS: 21 21:12:53 -215.892504 1.2616 BFGS: 22 21:12:53 -215.998017 1.0698 BFGS: 23 21:12:54 -216.095372 1.2342 BFGS: 24 21:12:56 -216.211591 1.2930 BFGS: 25 21:12:57 -216.348831 1.2893 BFGS: 26 21:12:58 -216.082963 4.7759 BFGS: 27 21:12:59 -216.487833 1.5499 BFGS: 28 21:13:00 -216.568801 1.1877 BFGS: 29 21:13:01 -216.665177 0.5200 BFGS: 30 21:13:02 -216.839889 1.6870 BFGS: 31 21:13:03 -217.007802 1.2200 BFGS: 32 21:13:04 -217.113586 1.8152 BFGS: 33 21:13:05 -217.251679 1.1044 BFGS: 34 21:13:06 -217.328188 1.1372 BFGS: 35 21:13:07 -217.424103 0.8897 BFGS: 36 21:13:09 -217.492316 0.6525 BFGS: 37 21:13:10 -217.530194 0.8535 BFGS: 38 21:13:11 -217.586632 1.0110 BFGS: 39 21:13:12 -217.647946 0.8287 BFGS: 40 21:13:13 -217.702566 0.4918 BFGS: 41 21:13:14 -217.745578 0.3009 BFGS: 42 21:13:16 -217.764846 0.3581 BFGS: 43 21:13:17 -217.784019 0.3137 BFGS: 44 21:13:18 -217.808113 0.2800 BFGS: 45 21:13:19 -217.828255 0.4074 BFGS: 46 21:13:20 -217.851815 0.3797 BFGS: 47 21:13:21 -217.879124 0.3521 BFGS: 48 21:13:22 -217.908909 0.3645 BFGS: 49 21:13:23 -217.930476 0.4089 BFGS: 50 21:13:24 -217.945378 0.4727 BFGS: 51 21:13:25 -217.957241 0.4070 BFGS: 52 21:13:26 -217.973639 0.3836 BFGS: 53 21:13:27 -217.988730 0.3506 BFGS: 54 21:13:28 -218.002117 0.3580 BFGS: 55 21:13:28 -218.015177 0.3660 BFGS: 56 21:13:30 -218.028688 0.3607 BFGS: 57 21:13:30 -218.045309 0.3308 BFGS: 58 21:13:31 -218.059581 0.2822 BFGS: 59 21:13:32 -218.074017 0.2777 BFGS: 60 21:13:33 -218.089557 0.2495 BFGS: 61 21:13:34 -218.114547 0.5460 BFGS: 62 21:13:35 -218.129226 0.3868 BFGS: 63 21:13:35 -218.147829 0.3740 BFGS: 64 21:13:36 -218.166153 0.3697 BFGS: 65 21:13:37 -218.185474 0.4501 BFGS: 66 21:13:38 -218.201966 0.4286 BFGS: 67 21:13:39 -218.219737 0.4389 BFGS: 68 21:13:40 -218.232726 0.3611 BFGS: 69 21:13:40 -218.248274 0.3616 BFGS: 70 21:13:43 -218.266444 0.3379 BFGS: 71 21:13:45 -218.280543 0.3223 BFGS: 72 21:13:45 -218.302393 0.3147 BFGS: 73 21:13:46 -218.320765 0.3121 BFGS: 74 21:13:46 -218.333771 0.2879 BFGS: 75 21:13:47 -218.353461 0.2790 BFGS: 76 21:13:48 -218.369682 0.2769 BFGS: 77 21:13:49 -218.384069 0.2994 BFGS: 78 21:13:51 -218.396726 0.3291 BFGS: 79 21:13:52 -218.411582 0.3592 BFGS: 80 21:13:53 -218.422715 0.3720 BFGS: 81 21:13:53 -218.434650 0.3811 BFGS: 82 21:13:54 -218.444958 0.3747 BFGS: 83 21:13:55 -218.455524 0.3716 BFGS: 84 21:13:56 -218.465491 0.3760 BFGS: 85 21:13:57 -218.466010 0.4557 BFGS: 86 21:13:57 -218.491857 0.2269 BFGS: 87 21:13:58 -218.503482 0.2494 BFGS: 88 21:14:00 -218.519921 0.2707 BFGS: 89 21:14:00 -218.528375 0.3126 BFGS: 90 21:14:01 -218.536382 0.3011 BFGS: 91 21:14:03 -218.548944 0.2715 BFGS: 92 21:14:04 -218.559645 0.3334 BFGS: 93 21:14:05 -218.569489 0.2823 BFGS: 94 21:14:06 -218.575906 0.2024 BFGS: 95 21:14:07 -218.582401 0.1601 BFGS: 96 21:14:08 -218.595550 0.1819 BFGS: 97 21:14:09 -218.602747 0.2108 BFGS: 98 21:14:10 -218.612660 0.2010 BFGS: 99 21:14:11 -218.621167 0.2516 BFGS: 100 21:14:12 -218.626121 0.2225 BFGS: 101 21:14:13 -218.628755 0.2127 BFGS: 102 21:14:14 -218.632646 0.2115 BFGS: 103 21:14:14 -218.634565 0.1895 BFGS: 104 21:14:16 -218.637979 0.1515 BFGS: 105 21:14:16 -218.648879 0.1587 BFGS: 106 21:14:17 -218.652448 0.2087 BFGS: 107 21:14:18 -218.657919 0.2671 BFGS: 108 21:14:18 -218.664161 0.3244 BFGS: 109 21:14:19 -218.669532 0.3472 BFGS: 110 21:14:20 -218.675652 0.3555 BFGS: 111 21:14:21 -218.683891 0.3460 BFGS: 112 21:14:22 -218.691775 0.3245 BFGS: 113 21:14:23 -218.698267 0.2978 BFGS: 114 21:14:24 -218.699539 0.4448 BFGS: 115 21:14:24 -218.709666 0.2437 BFGS: 116 21:14:25 -218.691216 0.3446 BFGS: 117 21:14:26 -218.709610 0.1673 BFGS: 118 21:14:26 -218.721533 0.1415 BFGS: 119 21:14:26 -218.717063 0.1871 BFGS: 120 21:14:27 -218.726627 0.1893 BFGS: 121 21:14:27 -218.731892 0.1980 BFGS: 122 21:14:29 -218.731305 0.2072 BFGS: 123 21:14:29 -218.741043 0.1348 BFGS: 124 21:14:30 -218.743468 0.1139 BFGS: 125 21:14:33 -218.740268 0.1549 BFGS: 126 21:14:33 -218.738751 0.1165 BFGS: 127 21:14:34 -218.752407 0.0790 BFGS: 128 21:14:35 -218.753967 0.1053 BFGS: 129 21:14:36 -218.755531 0.1276 BFGS: 130 21:14:37 -218.759363 0.1118 BFGS: 131 21:14:38 -218.760769 0.0675 BFGS: 132 21:14:38 -218.759800 0.0655 BFGS: 133 21:14:40 -218.760518 0.0811 BFGS: 134 21:14:40 -218.763119 0.1489 BFGS: 135 21:14:41 -218.766870 0.1688 BFGS: 136 21:14:42 -218.759821 0.1870 BFGS: 137 21:14:42 -218.761646 0.1483 BFGS: 138 21:14:43 -218.781727 0.1563 BFGS: 139 21:14:44 -218.786438 0.1570 BFGS: 140 21:14:44 -218.791261 0.1523 BFGS: 141 21:14:44 -218.796040 0.1541 BFGS: 142 21:14:45 -218.800685 0.1845 BFGS: 143 21:14:45 -218.814149 0.2962 BFGS: 144 21:14:46 -218.817939 0.3634 BFGS: 145 21:14:47 -218.825054 0.3063 BFGS: 146 21:14:47 -218.820258 0.3781 BFGS: 147 21:14:48 -218.823503 0.2205 BFGS: 148 21:14:49 -218.831350 0.2565 BFGS: 149 21:14:50 -218.843164 0.2419 BFGS: 150 21:14:50 -218.845892 0.2134 BFGS: 151 21:14:50 -218.854557 0.1968 BFGS: 152 21:14:51 -218.856771 0.1955 BFGS: 153 21:14:52 -218.849049 0.0784 BFGS: 154 21:14:53 -218.849960 0.0780 BFGS: 155 21:14:53 -218.858771 0.1558 BFGS: 156 21:14:54 -218.852005 0.0795 BFGS: 157 21:14:54 -218.859463 0.1441 BFGS: 158 21:14:55 -218.863856 0.1625 BFGS: 159 21:14:56 -218.867092 0.2043 BFGS: 160 21:14:56 -218.862932 0.1849 BFGS: 161 21:14:56 -218.865307 0.2141 BFGS: 162 21:14:57 -218.868101 0.2191 BFGS: 163 21:14:58 -218.877197 0.3020 BFGS: 164 21:14:59 -218.881801 0.2390 BFGS: 165 21:14:59 -218.885978 0.1638 BFGS: 166 21:15:00 -218.887291 0.1658 BFGS: 167 21:15:01 -218.905318 0.2784 BFGS: 168 21:15:01 -218.913756 0.2528 BFGS: 169 21:15:02 -218.922071 0.2501 BFGS: 170 21:15:02 -218.929619 0.2787 BFGS: 171 21:15:03 -218.930587 0.2095 BFGS: 172 21:15:03 -218.938338 0.2801 BFGS: 173 21:15:04 -218.944296 0.3142 BFGS: 174 21:15:04 -218.956695 0.3744 BFGS: 175 21:15:05 -218.972820 0.4291 BFGS: 176 21:15:05 -218.962766 0.1543 BFGS: 177 21:15:06 -218.974937 0.3348 BFGS: 178 21:15:07 -218.973365 0.1667 BFGS: 179 21:15:07 -218.979604 0.2534 BFGS: 180 21:15:08 -218.983471 0.1510 BFGS: 181 21:15:09 -218.985255 0.0943 BFGS: 182 21:15:09 -218.985998 0.1486 BFGS: 183 21:15:10 -218.974602 0.1567 BFGS: 184 21:15:11 -218.985184 0.0964 BFGS: 185 21:15:11 -218.983835 0.1181 BFGS: 186 21:15:12 -218.985386 0.2805 BFGS: 187 21:15:12 -218.987050 0.2373 BFGS: 188 21:15:13 -218.987808 0.1798 BFGS: 189 21:15:14 -218.993980 0.1816 BFGS: 190 21:15:15 -218.994941 0.1697 BFGS: 191 21:15:15 -218.986298 0.1041 BFGS: 192 21:15:16 -218.988030 0.1219 BFGS: 193 21:15:17 -218.990651 0.2074 BFGS: 194 21:15:18 -218.995316 0.1745 BFGS: 195 21:15:18 -218.984260 0.1001 BFGS: 196 21:15:19 -218.988404 0.1136 BFGS: 197 21:15:20 -218.992512 0.2090 BFGS: 198 21:15:21 -218.995619 0.1765 BFGS: 199 21:15:21 -218.984683 0.0997 BFGS: 200 21:15:22 -218.988888 0.1106 BFGS: 201 21:15:23 -218.995438 0.2201 BFGS: 202 21:15:23 -218.996099 0.1767 BFGS: 203 21:15:24 -218.988371 0.0824 BFGS: 204 21:15:25 -218.989680 0.1136 BFGS: 205 21:15:26 -219.000053 0.2334 BFGS: 206 21:15:26 -218.996294 0.1816 BFGS: 207 21:15:27 -218.988815 0.0849 BFGS: 208 21:15:27 -218.990394 0.1137 BFGS: 209 21:15:28 -218.999119 0.2256 BFGS: 210 21:15:29 -218.996421 0.1847 BFGS: 211 21:15:30 -218.989248 0.0838 BFGS: 212 21:15:31 -218.991052 0.1081 BFGS: 213 21:15:31 -219.002079 0.2198 BFGS: 214 21:15:32 -218.999696 0.1852 BFGS: 215 21:15:33 -218.989759 0.0867 BFGS: 216 21:15:34 -218.991350 0.1057 BFGS: 217 21:15:34 -219.002459 0.2323 BFGS: 218 21:15:35 -219.000510 0.1868 BFGS: 219 21:15:36 -218.987740 0.0974 BFGS: 220 21:15:36 -218.993568 0.1000 BFGS: 221 21:15:37 -219.003562 0.2500 BFGS: 222 21:15:38 -219.001629 0.1854 BFGS: 223 21:15:39 -218.991612 0.0897 BFGS: 224 21:15:40 -218.996746 0.0902 BFGS: 225 21:15:40 -219.006835 0.2497 BFGS: 226 21:15:41 -219.004700 0.1819 BFGS: 227 21:15:42 -218.990292 0.1039 BFGS: 228 21:15:43 -218.997313 0.0803 BFGS: 229 21:15:43 -218.997726 0.2107 BFGS: 230 21:15:44 -218.998997 0.0669 BFGS: 231 21:15:44 -219.011842 0.2752 BFGS: 232 21:15:45 -218.998876 0.0990 BFGS: 233 21:15:46 -218.997805 0.0961 BFGS: 234 21:15:46 -219.006662 0.1973 BFGS: 235 21:15:47 -219.006578 0.2251 BFGS: 236 21:15:48 -218.999960 0.1045 BFGS: 237 21:15:48 -219.007204 0.1915 BFGS: 238 21:15:49 -218.988410 0.1350 BFGS: 239 21:15:50 -219.001491 0.1160 BFGS: 240 21:15:50 -218.995116 0.1403 BFGS: 241 21:15:51 -219.009005 0.2439 BFGS: 242 21:15:52 -219.009730 0.2176 BFGS: 243 21:15:52 -219.011741 0.0962 BFGS: 244 21:15:53 -219.001396 0.1439 BFGS: 245 21:15:54 -219.015427 0.1732 BFGS: 246 21:15:54 -219.000535 0.1124 BFGS: 247 21:15:55 -219.000435 0.0919 BFGS: 248 21:15:55 -219.028952 0.3256 BFGS: 249 21:15:56 -219.023702 0.2798 BFGS: 250 21:15:56 -219.010658 0.1344 BFGS: 251 21:15:57 -219.011650 0.1198 BFGS: 252 21:15:57 -219.011933 0.1141 BFGS: 253 21:15:58 -219.012716 0.1158 BFGS: 254 21:15:58 -219.013229 0.1156 BFGS: 255 21:15:59 -219.007989 0.1625 BFGS: 256 21:16:00 -219.013648 0.1092 BFGS: 257 21:16:00 -218.994800 0.1085 BFGS: 258 21:16:01 -219.007589 0.0924 BFGS: 259 21:16:01 -219.014856 0.1504 BFGS: 260 21:16:02 -219.008338 0.1285 BFGS: 261 21:16:03 -219.015252 0.1461 BFGS: 262 21:16:04 -219.015336 0.1432 BFGS: 263 21:16:05 -219.021954 0.1957 BFGS: 264 21:16:05 -219.003240 0.1241 BFGS: 265 21:16:06 -218.996841 0.1445 BFGS: 266 21:16:07 -219.021929 0.2570 BFGS: 267 21:16:07 -219.015668 0.1798 BFGS: 268 21:16:08 -219.016358 0.1324 BFGS: 269 21:16:09 -219.009570 0.1029 BFGS: 270 21:16:09 -219.003837 0.1801 BFGS: 271 21:16:10 -219.005074 0.1719 BFGS: 272 21:16:10 -219.018585 0.1491 BFGS: 273 21:16:11 -219.023800 0.1670 BFGS: 274 21:16:11 -219.024268 0.1665 BFGS: 275 21:16:12 -219.024753 0.1673 BFGS: 276 21:16:13 -219.025228 0.1687 BFGS: 277 21:16:13 -219.025696 0.1703 BFGS: 278 21:16:14 -219.026158 0.1719 BFGS: 279 21:16:15 -219.024843 0.1735 BFGS: 280 21:16:16 -219.024310 0.1752 BFGS: 281 21:16:16 -219.024810 0.1789 BFGS: 282 21:16:17 -219.025307 0.1815 BFGS: 283 21:16:18 -219.025800 0.1838 BFGS: 284 21:16:18 -219.026294 0.1859 BFGS: 285 21:16:18 -219.026770 0.1880 BFGS: 286 21:16:19 -219.027638 0.1901 BFGS: 287 21:16:20 -219.028146 0.1918 BFGS: 288 21:16:21 -219.028666 0.1941 BFGS: 289 21:16:22 -219.029203 0.1961 BFGS: 290 21:16:22 -219.026576 0.1981 BFGS: 291 21:16:23 -219.036253 0.2002 BFGS: 292 21:16:23 -219.031601 0.2126 BFGS: 293 21:16:25 -219.032611 0.2334 BFGS: 294 21:16:26 -219.035944 0.3012 BFGS: 295 21:16:27 -219.039158 0.3622 BFGS: 296 21:16:28 -219.039905 0.3599 BFGS: 297 21:16:29 -219.037217 0.3382 BFGS: 298 21:16:30 -219.048774 0.3581 BFGS: 299 21:16:31 -219.031781 0.3368 BFGS: 300 21:16:32 -219.030798 0.2313 BFGS: 301 21:16:33 -219.051666 0.2585 BFGS: 302 21:16:34 -219.052604 0.2373 BFGS: 303 21:16:35 -219.054706 0.2063 BFGS: 304 21:16:35 -219.055582 0.1943 BFGS: 305 21:16:36 -219.056464 0.1875 BFGS: 306 21:16:37 -219.062914 0.1868 BFGS: 307 21:16:37 -219.063462 0.1834 BFGS: 308 21:16:38 -219.064002 0.1761 BFGS: 309 21:16:39 -219.064473 0.1756 BFGS: 310 21:16:39 -219.057151 0.1491 BFGS: 311 21:16:40 -219.053285 0.1653 BFGS: 312 21:16:40 -219.051583 0.1826 BFGS: 313 21:16:40 -219.062423 0.2008 BFGS: 314 21:16:41 -219.063014 0.1764 BFGS: 315 21:16:41 -219.062639 0.1858 BFGS: 316 21:16:41 -219.060791 0.1984 BFGS: 317 21:16:42 -219.061454 0.2184 BFGS: 318 21:16:43 -219.055633 0.2071 BFGS: 319 21:16:43 -219.047856 0.1706 BFGS: 320 21:16:44 -219.049992 0.1407 BFGS: 321 21:16:45 -219.047457 0.1341 BFGS: 322 21:16:45 -219.039300 0.1670 BFGS: 323 21:16:45 -219.040329 0.1629 BFGS: 324 21:16:46 -219.035776 0.3371 BFGS: 325 21:16:47 -219.039009 0.5725 BFGS: 326 21:16:48 -219.037757 0.2906 BFGS: 327 21:16:48 -219.057870 0.1888 BFGS: 328 21:16:49 -219.052413 0.1671 BFGS: 329 21:16:49 -219.041059 0.3909 BFGS: 330 21:16:50 -219.044161 0.2253 BFGS: 331 21:16:51 -219.054041 0.1379 BFGS: 332 21:16:52 -219.054872 0.1429 BFGS: 333 21:16:52 -219.042073 0.3250 BFGS: 334 21:16:53 -219.050519 0.2819 BFGS: 335 21:16:54 -219.049289 0.1353 BFGS: 336 21:16:56 -219.052844 0.1477 BFGS: 337 21:16:56 -219.046096 0.2295 BFGS: 338 21:16:57 -219.045914 0.3203 BFGS: 339 21:16:58 -219.047492 0.1950 BFGS: 340 21:16:58 -219.048344 0.1949 BFGS: 341 21:16:59 -219.054297 0.2714 BFGS: 342 21:17:00 -219.066041 0.2439 BFGS: 343 21:17:00 -219.044199 0.1941 BFGS: 344 21:17:00 -219.058950 0.1232 BFGS: 345 21:17:01 -219.061880 0.1313 BFGS: 346 21:17:02 -219.054147 0.2484 BFGS: 347 21:17:03 -219.062483 0.1163 BFGS: 348 21:17:04 -219.062832 0.1218 BFGS: 349 21:17:04 -219.052506 0.2424 BFGS: 350 21:17:05 -219.057514 0.1200 BFGS: 351 21:17:05 -219.068705 0.2211 BFGS: 352 21:17:06 -219.063293 0.1182 BFGS: 353 21:17:07 -219.063093 0.1209 BFGS: 354 21:17:07 -219.062529 0.2123 BFGS: 355 21:17:08 -219.063234 0.1199 BFGS: 356 21:17:09 -219.063301 0.1218 BFGS: 357 21:17:09 -219.062098 0.2155 BFGS: 358 21:17:10 -219.069017 0.2054 BFGS: 359 21:17:11 -219.063170 0.1167 BFGS: 360 21:17:11 -219.063126 0.1207 BFGS: 361 21:17:12 -219.062570 0.2149 BFGS: 362 21:17:12 -219.063317 0.1178 BFGS: 363 21:17:13 -219.057593 0.1201 BFGS: 364 21:17:13 -219.068258 0.2200 BFGS: 365 21:17:14 -219.063510 0.1172 BFGS: 366 21:17:15 -219.063585 0.1169 BFGS: 367 21:17:15 -219.056112 0.2527 BFGS: 368 21:17:16 -219.061723 0.2245 BFGS: 369 21:17:17 -219.024671 0.2379 BFGS: 370 21:17:18 -219.038965 0.1859 BFGS: 371 21:17:19 -219.051629 0.2830 BFGS: 372 21:17:19 -219.069057 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-219.080932 0.0613 BFGS: 742 21:21:18 -219.067626 0.1368 BFGS: 743 21:21:19 -219.072021 0.1388 BFGS: 744 21:21:19 -219.075637 0.2502 BFGS: 745 21:21:20 -219.079302 0.0790 BFGS: 746 21:21:20 -219.059018 0.1304 BFGS: 747 21:21:21 -219.072302 0.1388 BFGS: 748 21:21:21 -219.076126 0.1465 BFGS: 749 21:21:23 -219.073432 0.0969 BFGS: 750 21:21:24 -219.064880 0.1299 BFGS: 751 21:21:24 -219.072364 0.1392 BFGS: 752 21:21:25 -219.075166 0.2508 BFGS: 753 21:21:25 -219.079026 0.0807 BFGS: 754 21:21:26 -219.065083 0.1301 BFGS: 755 21:21:26 -219.086490 0.2497 BFGS: 756 21:21:27 -219.067641 0.1366 BFGS: 757 21:21:28 -219.068481 0.1389 BFGS: 758 21:21:28 -219.069844 0.0969 BFGS: 759 21:21:28 -219.079249 0.0796 BFGS: 760 21:21:29 -219.066636 0.2024 BFGS: 761 21:21:29 -219.066615 0.1409 BFGS: 762 21:21:30 -219.081692 0.1399 BFGS: 763 21:21:30 -219.079103 0.0804 BFGS: 764 21:21:31 -219.070438 0.1979 BFGS: 765 21:21:31 -219.072417 0.1389 BFGS: 766 21:21:32 -219.069366 0.0997 BFGS: 767 21:21:32 -219.078944 0.0812 BFGS: 768 21:21:33 -219.059265 0.1329 BFGS: 769 21:21:33 -219.086476 0.2486 BFGS: 770 21:21:34 -219.067643 0.1371 BFGS: 771 21:21:34 -219.068501 0.1390 BFGS: 772 21:21:34 -219.069692 0.0979 BFGS: 773 21:21:35 -219.079193 0.0799 BFGS: 774 21:21:36 -219.064450 0.2012 BFGS: 775 21:21:37 -219.066540 0.1411 BFGS: 776 21:21:37 -219.075186 0.0993 BFGS: 777 21:21:38 -219.078987 0.0810 BFGS: 778 21:21:38 -219.064683 0.1980 BFGS: 779 21:21:39 -219.080939 0.0612 BFGS: 780 21:21:39 -219.067575 0.1370 BFGS: 781 21:21:40 -219.068443 0.1388 BFGS: 782 21:21:41 -219.069673 0.0978 BFGS: 783 21:21:41 -219.084787 0.2516 BFGS: 784 21:21:42 -219.055124 0.1336 BFGS: 785 21:21:42 -219.072377 0.1393 BFGS: 786 21:21:43 -219.075728 0.1485 BFGS: 787 21:21:43 -219.079057 0.0807 BFGS: 788 21:21:44 -219.058941 0.1309 BFGS: 789 21:21:44 -219.072403 0.1390 BFGS: 790 21:21:45 -219.074788 0.2541 BFGS: 791 21:21:45 -219.078893 0.0814 BFGS: 792 21:21:46 -219.059116 0.1323 BFGS: 793 21:21:47 -219.080916 0.0625 BFGS: 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-219.080948 0.0614 BFGS: 900 21:22:57 -219.067469 0.1355 BFGS: 901 21:22:57 -219.068429 0.1380 BFGS: 902 21:22:58 -219.074675 0.2546 BFGS: 903 21:22:59 -219.084596 0.2509 BFGS: 904 21:22:59 -219.058385 0.1294 BFGS: 905 21:23:00 -219.068718 0.1385 BFGS: 906 21:23:00 -219.075205 0.1521 BFGS: 907 21:23:01 -219.073158 0.0975 BFGS: 908 21:23:02 -219.064233 0.1280 BFGS: 909 21:23:02 -219.068772 0.1386 BFGS: 910 21:23:03 -219.074262 0.2547 BFGS: 911 21:23:03 -219.078753 0.0822 BFGS: 912 21:23:04 -219.064447 0.1280 BFGS: 913 21:23:04 -219.080966 0.0600 BFGS: 914 21:23:05 -219.067448 0.1353 BFGS: 915 21:23:05 -219.068413 0.1379 BFGS: 916 21:23:06 -219.074652 0.2528 BFGS: 917 21:23:06 -219.079007 0.0808 BFGS: 918 21:23:07 -219.060424 0.1277 BFGS: 919 21:23:08 -219.068782 0.1380 BFGS: 920 21:23:08 -219.068624 0.1030 BFGS: 921 21:23:09 -219.084321 0.2536 BFGS: 922 21:23:10 -219.058662 0.1315 BFGS: 923 21:23:10 -219.080961 0.0607 BFGS: 924 21:23:11 -219.067444 0.1360 BFGS: 925 21:23:11 -219.068417 0.1382 BFGS: 926 21:23:12 -219.074607 0.2536 BFGS: 927 21:23:13 -219.073213 0.0980 BFGS: 928 21:23:13 -219.060371 0.1302 BFGS: 929 21:23:14 -219.068772 0.1388 BFGS: 930 21:23:14 -219.075026 0.1498 BFGS: 931 21:23:15 -219.084445 0.2511 BFGS: 932 21:23:16 -219.064238 0.1268 BFGS: 933 21:23:16 -219.068818 0.1382 BFGS: 934 21:23:17 -219.068512 0.1036 BFGS: 935 21:23:17 -219.078689 0.0826 BFGS: 936 21:23:18 -219.058647 0.1302 BFGS: 937 21:23:18 -219.080952 0.0614 BFGS: 938 21:23:19 -219.067439 0.1356 BFGS: 939 21:23:19 -219.068424 0.1380 BFGS: 940 21:23:20 -219.074538 0.2551 BFGS: 941 21:23:20 -219.073190 0.0980 BFGS: 942 21:23:20 -219.060343 0.1299 BFGS: 943 21:23:21 -219.068779 0.1387 BFGS: 944 21:23:22 -219.074099 0.2539 BFGS: 945 21:23:22 -219.078698 0.0825 BFGS: 946 21:23:23 -219.064326 0.1283 BFGS: 947 21:23:23 -219.080979 0.0583 BFGS: 948 21:23:24 -219.067432 0.1352 BFGS: 949 21:23:24 -219.073989 0.2014 BFGS: 950 21:23:25 -219.068841 0.1015 BFGS: 951 21:23:25 -219.078939 0.0813 BFGS: 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-219.058381 0.1302 BFGS: 1005 21:23:57 -219.077420 0.0586 BFGS: 1006 21:23:58 -219.067363 0.1353 BFGS: 1007 21:23:58 -219.068389 0.1376 BFGS: 1008 21:23:59 -219.074200 0.2561 BFGS: 1009 21:23:59 -219.073097 0.0982 BFGS: 1010 21:24:00 -219.059813 0.1295 BFGS: 1011 21:24:01 -219.068765 0.1385 BFGS: 1012 21:24:02 -219.080180 0.3276 BFGS: 1013 21:24:02 -219.084318 0.2507 BFGS: 1014 21:24:03 -219.063688 0.1257 BFGS: 1015 21:24:03 -219.068819 0.1379 BFGS: 1016 21:24:04 -219.068070 0.1055 BFGS: 1017 21:24:04 -219.078553 0.0833 BFGS: 1018 21:24:05 -219.058375 0.1293 BFGS: 1019 21:24:06 -219.077407 0.0606 BFGS: 1020 21:24:06 -219.067340 0.1351 BFGS: 1021 21:24:07 -219.068385 0.1375 BFGS: 1022 21:24:07 -219.074150 0.2547 BFGS: 1023 21:24:08 -219.078858 0.0817 BFGS: 1024 21:24:09 -219.054018 0.1292 BFGS: 1025 21:24:09 -219.068776 0.1381 BFGS: 1026 21:24:10 -219.068092 0.1056 BFGS: 1027 21:24:10 -219.078383 0.2523 BFGS: 1028 21:24:11 -219.064082 0.1312 BFGS: 1029 21:24:12 -219.068928 0.1392 BFGS: 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0.1399 BFGS: 8910 22:43:09 -219.073002 0.0883 BFGS: 8911 22:43:09 -219.055282 0.1099 BFGS: 8912 22:43:10 -219.067572 0.1220 BFGS: 8913 22:43:10 -219.066440 0.1360 BFGS: 8914 22:43:11 -219.072993 0.0880 BFGS: 8915 22:43:12 -219.060776 0.1921 BFGS: 8916 22:43:13 -219.067531 0.1222 BFGS: 8917 22:43:14 -219.066359 0.1322 BFGS: 8918 22:43:15 -219.072984 0.0878 BFGS: 8919 22:43:16 -219.055131 0.1105 BFGS: 8920 22:43:17 -219.073071 0.1958 BFGS: 8921 22:43:18 -219.066324 0.1286 BFGS: 8922 22:43:19 -219.072978 0.0879 BFGS: 8923 22:43:19 -219.060631 0.1909 BFGS: 8924 22:43:20 -219.067454 0.1227 BFGS: 8925 22:43:20 -219.066238 0.1267 BFGS: 8926 22:43:21 -219.072973 0.0877 BFGS: 8927 22:43:22 -219.054995 0.1110 BFGS: 8928 22:43:23 -219.072997 0.1923 BFGS: 8929 22:43:25 -219.066208 0.1268 BFGS: 8930 22:43:26 -219.072969 0.0878 BFGS: 8931 22:43:27 -219.054928 0.1111 BFGS: 8932 22:43:28 -219.067383 0.1231 BFGS: 8933 22:43:29 -219.066145 0.1270 BFGS: 8934 22:43:30 -219.072968 0.0876 BFGS: 8935 22:43:31 -219.060442 0.1942 BFGS: 8936 22:43:32 -219.067347 0.1232 BFGS: 8937 22:43:32 -219.066076 0.1272 BFGS: 8938 22:43:33 -219.072963 0.0875 BFGS: 8939 22:43:33 -219.054816 0.1113 BFGS: 8940 22:43:34 -219.072892 0.1932 BFGS: 8941 22:43:34 -219.066050 0.1272 BFGS: 8942 22:43:35 -219.072960 0.0876 BFGS: 8943 22:43:35 -219.054758 0.1113 BFGS: 8944 22:43:36 -219.067282 0.1236 BFGS: 8945 22:43:37 -219.065993 0.1274 BFGS: 8946 22:43:38 -219.072961 0.0875 BFGS: 8947 22:43:38 -219.060279 0.1958 BFGS: 8948 22:43:39 -219.067249 0.1237 BFGS: 8949 22:43:40 -219.065933 0.1275 BFGS: 8950 22:43:41 -219.072958 0.0874 BFGS: 8951 22:43:42 -219.054661 0.1113 BFGS: 8952 22:43:42 -219.072796 0.1935 BFGS: 8953 22:43:43 -219.065914 0.1274 BFGS: 8954 22:43:45 -219.072956 0.0875 BFGS: 8955 22:43:46 -219.054610 0.1113 BFGS: 8956 22:43:46 -219.067190 0.1240 BFGS: 8957 22:43:47 -219.065866 0.1275 BFGS: 8958 22:43:48 -219.072958 0.0873 BFGS: 8959 22:43:49 -219.060137 0.1968 BFGS: 8960 22:43:50 -219.067159 0.1241 BFGS: 8961 22:43:51 -219.065816 0.1275 BFGS: 8962 22:43:52 -219.072598 0.0872 BFGS: 8963 22:43:53 -219.060184 0.1919 BFGS: 8964 22:43:54 -219.067174 0.1244 BFGS: 8965 22:43:54 -219.065720 0.1278 BFGS: 8966 22:43:55 -219.072928 0.0872 BFGS: 8967 22:43:55 -219.054491 0.1111 BFGS: 8968 22:43:56 -219.072695 0.1942 BFGS: 8969 22:43:56 -219.065748 0.1275 BFGS: 8970 22:43:57 -219.072587 0.0873 BFGS: 8971 22:43:57 -219.054529 0.1117 BFGS: 8972 22:43:58 -219.067123 0.1246 BFGS: 8973 22:43:58 -219.065675 0.1276 BFGS: 8974 22:44:00 -219.072571 0.0872 BFGS: 8975 22:44:01 -219.060065 0.1970 BFGS: 8976 22:44:01 -219.067105 0.1246 BFGS: 8977 22:44:02 -219.065627 0.1276 BFGS: 8978 22:44:03 -219.072566 0.0872 BFGS: 8979 22:44:04 -219.054459 0.1114 BFGS: 8980 22:44:04 -219.072657 0.1946 BFGS: 8981 22:44:05 -219.065621 0.1274 BFGS: 8982 22:44:06 -219.072565 0.0872 BFGS: 8983 22:44:06 -219.054420 0.1112 BFGS: 8984 22:44:07 -219.072631 0.1905 BFGS: 8985 22:44:07 -219.065607 0.1272 BFGS: 8986 22:44:08 -219.072569 0.0872 BFGS: 8987 22:44:09 -219.054382 0.1110 BFGS: 8988 22:44:09 -219.067030 0.1248 BFGS: 8989 22:44:10 -219.065576 0.1271 BFGS: 8990 22:44:11 -219.072576 0.0871 BFGS: 8991 22:44:11 -219.059917 0.1982 BFGS: 8992 22:44:12 -219.067004 0.1248 BFGS: 8993 22:44:13 -219.065545 0.1270 BFGS: 8994 22:44:13 -219.072579 0.0870 BFGS: 8995 22:44:14 -219.054316 0.1108 BFGS: 8996 22:44:15 -219.072556 0.1924 BFGS: 8997 22:44:16 -219.065546 0.1268 BFGS: 8998 22:44:17 -219.072580 0.0870 BFGS: 8999 22:44:18 -219.054280 0.1106 BFGS: 9000 22:44:18 -219.066957 0.1249 BFGS: 9001 22:44:19 -219.065520 0.1266 BFGS: 9002 22:44:20 -219.072588 0.0869 BFGS: 9003 22:44:23 -219.059817 0.1983 BFGS: 9004 22:44:23 -219.066933 0.1250 BFGS: 9005 22:44:24 -219.065498 0.1265 BFGS: 9006 22:44:25 -219.072591 0.0868 BFGS: 9007 22:44:26 -219.054219 0.1103 BFGS: 9008 22:44:26 -219.072486 0.1931 BFGS: 9009 22:44:27 -219.065504 0.1262 BFGS: 9010 22:44:27 -219.072594 0.0869 BFGS: 9011 22:44:28 -219.054187 0.1102 BFGS: 9012 22:44:29 -219.066889 0.1251 BFGS: 9013 22:44:31 -219.065485 0.1261 BFGS: 9014 22:44:32 -219.072602 0.0867 BFGS: 9015 22:44:33 -219.059726 0.1982 BFGS: 9016 22:44:34 -219.066866 0.1251 BFGS: 9017 22:44:35 -219.065470 0.1259 BFGS: 9018 22:44:36 -219.072607 0.0866 BFGS: 9019 22:44:36 -219.054131 0.1099 BFGS: 9020 22:44:37 -219.072419 0.1935 BFGS: 9021 22:44:37 -219.065480 0.1261 BFGS: 9022 22:44:38 -219.072610 0.0867 BFGS: 9023 22:44:38 -219.054101 0.1097 BFGS: 9024 22:44:40 -219.066824 0.1252 BFGS: 9025 22:44:41 -219.065465 0.1261 BFGS: 9026 22:44:41 -219.072619 0.0866 BFGS: 9027 22:44:42 -219.059641 0.1981 BFGS: 9028 22:44:43 -219.066803 0.1253 BFGS: 9029 22:44:43 -219.065455 0.1259 BFGS: 9030 22:44:44 -219.072625 0.0865 BFGS: 9031 22:44:44 -219.054048 0.1094 BFGS: 9032 22:44:45 -219.072357 0.1938 BFGS: 9033 22:44:45 -219.065468 0.1262 BFGS: 9034 22:44:46 -219.072628 0.0865 BFGS: 9035 22:44:46 -219.054021 0.1092 BFGS: 9036 22:44:47 -219.066764 0.1254 BFGS: 9037 22:44:48 -219.065456 0.1261 BFGS: 9038 22:44:48 -219.072637 0.0864 BFGS: 9039 22:44:49 -219.059563 0.1978 BFGS: 9040 22:44:49 -219.066743 0.1254 BFGS: 9041 22:44:49 -219.065451 0.1259 BFGS: 9042 22:44:50 -219.072644 0.0863 BFGS: 9043 22:44:50 -219.053972 0.1089 BFGS: 9044 22:44:51 -219.072298 0.1941 BFGS: 9045 22:44:51 -219.065465 0.1262 BFGS: 9046 22:44:52 -219.072647 0.0864 BFGS: 9047 22:44:52 -219.053946 0.1088 BFGS: 9048 22:44:53 -219.066706 0.1255 BFGS: 9049 22:44:54 -219.065457 0.1261 BFGS: 9050 22:44:54 -219.072657 0.0862 BFGS: 9051 22:44:55 -219.059490 0.1975 BFGS: 9052 22:44:55 -219.066687 0.1255 BFGS: 9053 22:44:56 -219.065454 0.1260 BFGS: 9054 22:44:56 -219.072663 0.0861 BFGS: 9055 22:44:57 -219.053901 0.1085 BFGS: 9056 22:44:58 -219.072242 0.1943 BFGS: 9057 22:44:58 -219.065470 0.1262 BFGS: 9058 22:44:59 -219.072667 0.0862 BFGS: 9059 22:45:00 -219.053877 0.1083 BFGS: 9060 22:45:00 -219.066652 0.1256 BFGS: 9061 22:45:01 -219.065463 0.1261 BFGS: 9062 22:45:01 -219.072677 0.0861 BFGS: 9063 22:45:02 -219.059179 0.1971 BFGS: 9064 22:45:03 -219.066657 0.1256 BFGS: 9065 22:45:03 -219.065442 0.1260 BFGS: 9066 22:45:04 -219.072669 0.0860 BFGS: 9067 22:45:04 -219.053595 0.1080 BFGS: 9068 22:45:05 -219.072219 0.1945 BFGS: 9069 22:45:06 -219.065455 0.1262 BFGS: 9070 22:45:06 -219.072668 0.0861 BFGS: 9071 22:45:07 -219.053573 0.1079 BFGS: 9072 22:45:08 -219.066633 0.1257 BFGS: 9073 22:45:08 -219.065452 0.1262 BFGS: 9074 22:45:10 -219.072678 0.0860 BFGS: 9075 22:45:10 -219.059118 0.1966 BFGS: 9076 22:45:11 -219.072188 0.1908 BFGS: 9077 22:45:11 -219.065473 0.1261 BFGS: 9078 22:45:11 -219.072683 0.0860 BFGS: 9079 22:45:12 -219.053531 0.1076 BFGS: 9080 22:45:12 -219.066600 0.1258 BFGS: 9081 22:45:12 -219.065470 0.1260 BFGS: 9082 22:45:13 -219.072693 0.0859 BFGS: 9083 22:45:13 -219.053512 0.1074 BFGS: 9084 22:45:14 -219.072155 0.1916 BFGS: 9085 22:45:15 -219.065494 0.1261 BFGS: 9086 22:45:15 -219.072698 0.0859 BFGS: 9087 22:45:16 -219.053490 0.1073 BFGS: 9088 22:45:16 -219.066567 0.1258 BFGS: 9089 22:45:17 -219.065493 0.1260 BFGS: 9090 22:45:17 -219.072709 0.0858 BFGS: 9091 22:45:18 -219.059036 0.1960 BFGS: 9092 22:45:19 -219.066551 0.1259 BFGS: 9093 22:45:19 -219.065500 0.1258 BFGS: 9094 22:45:19 -219.072717 0.0857 BFGS: 9095 22:45:20 -219.053453 0.1070 BFGS: 9096 22:45:21 -219.072108 0.1926 BFGS: 9097 22:45:22 -219.065519 0.1260 BFGS: 9098 22:45:23 -219.072720 0.0858 BFGS: 9099 22:45:23 -219.053433 0.1068 BFGS: 9100 22:45:24 -219.066522 0.1259 BFGS: 9101 22:45:24 -219.065517 0.1259 BFGS: 9102 22:45:25 -219.072730 0.0856 BFGS: 9103 22:45:25 -219.058980 0.1956 BFGS: 9104 22:45:26 -219.066507 0.1259 BFGS: 9105 22:45:26 -219.065526 0.1257 BFGS: 9106 22:45:27 -219.072738 0.0855 BFGS: 9107 22:45:27 -219.053398 0.1065 BFGS: 9108 22:45:28 -219.072064 0.1933 BFGS: 9109 22:45:28 -219.065544 0.1259 BFGS: 9110 22:45:29 -219.072741 0.0856 BFGS: 9111 22:45:29 -219.053380 0.1063 BFGS: 9112 22:45:30 -219.066479 0.1260 BFGS: 9113 22:45:30 -219.065543 0.1258 BFGS: 9114 22:45:31 -219.072751 0.0855 BFGS: 9115 22:45:31 -219.058927 0.1955 BFGS: 9116 22:45:31 -219.066465 0.1260 BFGS: 9117 22:45:31 -219.065553 0.1255 BFGS: 9118 22:45:32 -219.072759 0.0854 BFGS: 9119 22:45:32 -219.053347 0.1060 BFGS: 9120 22:45:33 -219.072023 0.1938 BFGS: 9121 22:45:33 -219.065570 0.1257 BFGS: 9122 22:45:34 -219.072761 0.0855 BFGS: 9123 22:45:34 -219.053330 0.1058 BFGS: 9124 22:45:35 -219.066440 0.1260 BFGS: 9125 22:45:36 -219.065569 0.1256 BFGS: 9126 22:45:37 -219.072771 0.0853 BFGS: 9127 22:45:37 -219.058878 0.1956 BFGS: 9128 22:45:37 -219.066426 0.1260 BFGS: 9129 22:45:37 -219.065578 0.1254 BFGS: 9130 22:45:38 -219.072779 0.0852 BFGS: 9131 22:45:38 -219.053299 0.1055 BFGS: 9132 22:45:38 -219.071985 0.1942 BFGS: 9133 22:45:39 -219.065594 0.1256 BFGS: 9134 22:45:39 -219.072780 0.0853 BFGS: 9135 22:45:39 -219.053283 0.1053 BFGS: 9136 22:45:40 -219.066403 0.1260 BFGS: 9137 22:45:40 -219.065592 0.1255 BFGS: 9138 22:45:41 -219.072790 0.0852 BFGS: 9139 22:45:41 -219.058832 0.1959 BFGS: 9140 22:45:42 -219.066391 0.1260 BFGS: 9141 22:45:42 -219.065601 0.1253 BFGS: 9142 22:45:43 -219.072797 0.0851 BFGS: 9143 22:45:43 -219.053255 0.1050 BFGS: 9144 22:45:44 -219.071950 0.1946 BFGS: 9145 22:45:44 -219.065615 0.1255 BFGS: 9146 22:45:44 -219.072798 0.0852 BFGS: 9147 22:45:45 -219.053240 0.1048 BFGS: 9148 22:45:45 -219.066369 0.1260 BFGS: 9149 22:45:46 -219.065612 0.1254 BFGS: 9150 22:45:46 -219.072808 0.0851 BFGS: 9151 22:45:47 -219.058790 0.1961 BFGS: 9152 22:45:47 -219.066358 0.1260 BFGS: 9153 22:45:48 -219.065621 0.1252 BFGS: 9154 22:45:48 -219.072814 0.0850 BFGS: 9155 22:45:49 -219.053214 0.1044 BFGS: 9156 22:45:49 -219.071918 0.1950 BFGS: 9157 22:45:50 -219.065634 0.1254 BFGS: 9158 22:45:50 -219.072815 0.0851 BFGS: 9159 22:45:51 -219.053200 0.1042 BFGS: 9160 22:45:51 -219.066338 0.1260 BFGS: 9161 22:45:52 -219.065630 0.1253 BFGS: 9162 22:45:52 -219.072824 0.0849 BFGS: 9163 22:45:53 -219.058750 0.1963 BFGS: 9164 22:45:53 -219.071898 0.1894 BFGS: 9165 22:45:54 -219.065648 0.1252 BFGS: 9166 22:45:54 -219.072826 0.0850 BFGS: 9167 22:45:55 -219.053175 0.1039 BFGS: 9168 22:45:56 -219.066318 0.1260 BFGS: 9169 22:45:56 -219.065640 0.1251 BFGS: 9170 22:45:56 -219.072834 0.0848 BFGS: 9171 22:45:57 -219.053164 0.1037 BFGS: 9172 22:45:57 -219.071879 0.1921 BFGS: 9173 22:45:58 -219.065655 0.1253 BFGS: 9174 22:45:58 -219.072835 0.0849 BFGS: 9175 22:45:59 -219.053151 0.1035 BFGS: 9176 22:45:59 -219.066300 0.1260 BFGS: 9177 22:46:00 -219.065649 0.1251 BFGS: 9178 22:46:00 -219.072843 0.0848 BFGS: 9179 22:46:00 -219.058702 0.1967 BFGS: 9180 22:46:01 -219.066291 0.1260 BFGS: 9181 22:46:01 -219.065655 0.1249 BFGS: 9182 22:46:01 -219.072849 0.0847 BFGS: 9183 22:46:01 -219.058691 0.1932 BFGS: 9184 22:46:01 -219.066282 0.1260 BFGS: 9185 22:46:01 -219.065657 0.1248 BFGS: 9186 22:46:02 -219.072853 0.0846 BFGS: 9187 22:46:02 -219.053118 0.1030 BFGS: 9188 22:46:03 -219.071845 0.1941 BFGS: 9189 22:46:03 -219.065664 0.1250 BFGS: 9190 22:46:04 -219.072852 0.0847 BFGS: 9191 22:46:04 -219.053108 0.1028 BFGS: 9192 22:46:05 -219.066268 0.1260 BFGS: 9193 22:46:05 -219.065657 0.1249 BFGS: 9194 22:46:05 -219.072859 0.0846 BFGS: 9195 22:46:05 -219.058660 0.1954 BFGS: 9196 22:46:06 -219.066260 0.1260 BFGS: 9197 22:46:06 -219.065665 0.1247 BFGS: 9198 22:46:07 -219.072865 0.0846 BFGS: 9199 22:46:07 -219.053088 0.1024 BFGS: 9200 22:46:08 -219.071822 0.1948 BFGS: 9201 22:46:08 -219.065671 0.1249 BFGS: 9202 22:46:09 -219.072863 0.0846 BFGS: 9203 22:46:09 -219.053078 0.1022 BFGS: 9204 22:46:10 -219.066247 0.1260 BFGS: 9205 22:46:10 -219.065663 0.1248 BFGS: 9206 22:46:11 -219.072870 0.0845 BFGS: 9207 22:46:12 -219.058630 0.1961 BFGS: 9208 22:46:12 -219.066239 0.1260 BFGS: 9209 22:46:13 -219.065669 0.1246 BFGS: 9210 22:46:13 -219.072875 0.0845 BFGS: 9211 22:46:14 -219.058621 0.1905 BFGS: 9212 22:46:14 -219.066232 0.1260 BFGS: 9213 22:46:15 -219.065671 0.1245 BFGS: 9214 22:46:15 -219.072879 0.0844 BFGS: 9215 22:46:15 -219.053051 0.1016 BFGS: 9216 22:46:16 -219.071796 0.1957 BFGS: 9217 22:46:16 -219.065673 0.1247 BFGS: 9218 22:46:17 -219.072876 0.0845 BFGS: 9219 22:46:17 -219.053042 0.1014 BFGS: 9220 22:46:18 -219.071792 0.1887 BFGS: 9221 22:46:18 -219.065672 0.1248 BFGS: 9222 22:46:19 -219.072877 0.0845 BFGS: 9223 22:46:19 -219.053034 0.1011 BFGS: 9224 22:46:20 -219.066217 0.1259 BFGS: 9225 22:46:20 -219.065664 0.1247 BFGS: 9226 22:46:21 -219.072885 0.0844 BFGS: 9227 22:46:21 -219.058587 0.1957 BFGS: 9228 22:46:22 -219.066210 0.1259 BFGS: 9229 22:46:22 -219.065669 0.1244 BFGS: 9230 22:46:23 -219.072889 0.0843 BFGS: 9231 22:46:24 -219.053018 0.1007 BFGS: 9232 22:46:25 -219.071774 0.1940 BFGS: 9233 22:46:25 -219.065670 0.1246 BFGS: 9234 22:46:26 -219.072886 0.0844 BFGS: 9235 22:46:26 -219.058572 0.1936 BFGS: 9236 22:46:27 -219.066201 0.1259 BFGS: 9237 22:46:27 -219.065663 0.1244 BFGS: 9238 22:46:27 -219.072893 0.0843 BFGS: 9239 22:46:27 -219.053004 0.1003 BFGS: 9240 22:46:28 -219.066195 0.1259 BFGS: 9241 22:46:28 -219.065656 0.1244 BFGS: 9242 22:46:29 -219.072895 0.0842 BFGS: 9243 22:46:29 -219.058558 0.1951 BFGS: 9244 22:46:30 -219.066191 0.1258 BFGS: 9245 22:46:30 -219.065657 0.1242 BFGS: 9246 22:46:30 -219.072898 0.0842 BFGS: 9247 22:46:31 -219.052991 0.0999 BFGS: 9248 22:46:31 -219.071757 0.1955 BFGS: 9249 22:46:32 -219.065655 0.1245 BFGS: 9250 22:46:32 -219.072893 0.0843 BFGS: 9251 22:46:32 -219.058545 0.1922 BFGS: 9252 22:46:33 -219.066186 0.1258 BFGS: 9253 22:46:33 -219.065648 0.1242 BFGS: 9254 22:46:34 -219.072899 0.0841 BFGS: 9255 22:46:34 -219.052979 0.0995 BFGS: 9256 22:46:35 -219.066181 0.1258 BFGS: 9257 22:46:35 -219.065639 0.1243 BFGS: 9258 22:46:36 -219.072901 0.0841 BFGS: 9259 22:46:36 -219.058534 0.1949 BFGS: 9260 22:46:37 -219.071748 0.1919 BFGS: 9261 22:46:37 -219.065647 0.1243 BFGS: 9262 22:46:38 -219.072898 0.0842 BFGS: 9263 22:46:38 -219.052967 0.0990 BFGS: 9264 22:46:39 -219.066176 0.1258 BFGS: 9265 22:46:40 -219.065628 0.1243 BFGS: 9266 22:46:40 -219.072902 0.0841 BFGS: 9267 22:46:40 -219.058523 0.1927 BFGS: 9268 22:46:41 -219.066173 0.1258 BFGS: 9269 22:46:41 -219.065629 0.1241 BFGS: 9270 22:46:42 -219.072904 0.0840 BFGS: 9271 22:46:43 -219.052958 0.0986 BFGS: 9272 22:46:43 -219.071740 0.1949 BFGS: 9273 22:46:44 -219.065623 0.1243 BFGS: 9274 22:46:44 -219.072899 0.0841 BFGS: 9275 22:46:45 -219.052953 0.0983 BFGS: 9276 22:46:46 -219.066170 0.1257 BFGS: 9277 22:46:46 -219.065606 0.1242 BFGS: 9278 22:46:47 -219.072903 0.0840 BFGS: 9279 22:46:47 -219.058509 0.1957 BFGS: 9280 22:46:48 -219.066168 0.1257 BFGS: 9281 22:46:48 -219.065606 0.1240 BFGS: 9282 22:46:49 -219.072905 0.0840 BFGS: 9283 22:46:49 -219.058505 0.1936 BFGS: 9284 22:46:49 -219.066165 0.1257 BFGS: 9285 22:46:50 -219.065600 0.1239 BFGS: 9286 22:46:51 -219.072906 0.0839 BFGS: 9287 22:46:51 -219.052941 0.0977 BFGS: 9288 22:46:52 -219.071733 0.1963 BFGS: 9289 22:46:52 -219.065591 0.1241 BFGS: 9290 22:46:52 -219.072899 0.0840 BFGS: 9291 22:46:53 -219.052938 0.0981 BFGS: 9292 22:46:53 -219.066166 0.1256 BFGS: 9293 22:46:54 -219.065571 0.1241 BFGS: 9294 22:46:54 -219.072902 0.0839 BFGS: 9295 22:46:54 -219.058495 0.1960 BFGS: 9296 22:46:55 -219.071734 0.1937 BFGS: 9297 22:46:55 -219.065577 0.1240 BFGS: 9298 22:46:56 -219.072898 0.0840 BFGS: 9299 22:46:56 -219.052931 0.0996 BFGS: 9300 22:46:57 -219.066165 0.1256 BFGS: 9301 22:46:57 -219.065553 0.1240 BFGS: 9302 22:46:57 -219.072901 0.0839 BFGS: 9303 22:46:58 -219.058489 0.1955 BFGS: 9304 22:46:58 -219.066164 0.1256 BFGS: 9305 22:46:59 -219.065550 0.1238 BFGS: 9306 22:46:59 -219.072902 0.0838 BFGS: 9307 22:47:00 -219.058487 0.1933 BFGS: 9308 22:47:00 -219.066164 0.1255 BFGS: 9309 22:47:01 -219.065541 0.1237 BFGS: 9310 22:47:01 -219.072902 0.0838 BFGS: 9311 22:47:02 -219.052925 0.1018 BFGS: 9312 22:47:02 -219.071733 0.1962 BFGS: 9313 22:47:03 -219.065526 0.1240 BFGS: 9314 22:47:03 -219.072893 0.0839 BFGS: 9315 22:47:04 -219.052924 0.1025 BFGS: 9316 22:47:04 -219.066168 0.1255 BFGS: 9317 22:47:05 -219.065503 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22:47:19 -219.058626 0.1958 BFGS: 9344 22:47:20 -219.066253 0.1255 BFGS: 9345 22:47:20 -219.059582 0.1240 BFGS: 9346 22:47:20 -219.072847 0.0839 BFGS: 9347 22:47:21 -219.058635 0.1924 BFGS: 9348 22:47:21 -219.066264 0.1254 BFGS: 9349 22:47:22 -219.059561 0.1246 BFGS: 9350 22:47:22 -219.072839 0.0839 BFGS: 9351 22:47:23 -219.053082 0.1093 BFGS: 9352 22:47:23 -219.071842 0.1965 BFGS: 9353 22:47:24 -219.059537 0.1250 BFGS: 9354 22:47:24 -219.072825 0.0840 BFGS: 9355 22:47:25 -219.058650 0.1959 BFGS: 9356 22:47:25 -219.066285 0.1253 BFGS: 9357 22:47:26 -219.059516 0.1261 BFGS: 9358 22:47:26 -219.072825 0.0839 BFGS: 9359 22:47:27 -219.053098 0.1115 BFGS: 9360 22:47:27 -219.071861 0.1943 BFGS: 9361 22:47:28 -219.059495 0.1265 BFGS: 9362 22:47:28 -219.072813 0.0840 BFGS: 9363 22:47:29 -219.058666 0.1970 BFGS: 9364 22:47:29 -219.066304 0.1252 BFGS: 9365 22:47:30 -219.059474 0.1277 BFGS: 9366 22:47:31 -219.072813 0.0840 BFGS: 9367 22:47:31 -219.058674 0.1953 BFGS: 9368 22:47:31 -219.066311 0.1251 BFGS: 9369 22:47:32 -219.059456 0.1285 BFGS: 9370 22:47:33 -219.072808 0.0839 BFGS: 9371 22:47:33 -219.053123 0.1149 BFGS: 9372 22:47:34 -219.066321 0.1251 BFGS: 9373 22:47:35 -219.059422 0.1291 BFGS: 9374 22:47:35 -219.072800 0.0839 BFGS: 9375 22:47:36 -219.058692 0.1987 BFGS: 9376 22:47:37 -219.071901 0.1951 BFGS: 9377 22:47:37 -219.059410 0.1301 BFGS: 9378 22:47:38 -219.072788 0.0840 BFGS: 9379 22:47:39 -219.058702 0.1942 BFGS: 9380 22:47:39 -219.066345 0.1249 BFGS: 9381 22:47:40 -219.059380 0.1310 BFGS: 9382 22:47:41 -219.072786 0.0840 BFGS: 9383 22:47:41 -219.053153 0.1185 BFGS: 9384 22:47:42 -219.066355 0.1249 BFGS: 9385 22:47:42 -219.059344 0.1317 BFGS: 9386 22:47:43 -219.072777 0.0840 BFGS: 9387 22:47:43 -219.058723 0.1991 BFGS: 9388 22:47:43 -219.071936 0.1923 BFGS: 9389 22:47:43 -219.059330 0.1327 BFGS: 9390 22:47:43 -219.072764 0.0841 BFGS: 9391 22:47:44 -219.058735 0.1932 BFGS: 9392 22:47:44 -219.066381 0.1247 BFGS: 9393 22:47:44 -219.059297 0.1338 BFGS: 9394 22:47:45 -219.072761 0.0840 BFGS: 9395 22:47:45 -219.053187 0.1221 BFGS: 9396 22:47:45 -219.066393 0.1247 BFGS: 9397 22:47:45 -219.059258 0.1344 BFGS: 9398 22:47:46 -219.072752 0.0840 BFGS: 9399 22:47:46 -219.058759 0.1995 BFGS: 9400 22:47:47 -219.066406 0.1246 BFGS: 9401 22:47:47 -219.059235 0.1356 BFGS: 9402 22:47:48 -219.072744 0.0840 BFGS: 9403 22:47:48 -219.058772 0.1992 BFGS: 9404 22:47:48 -219.071989 0.1952 BFGS: 9405 22:47:49 -219.059212 0.1366 BFGS: 9406 22:47:50 -219.072730 0.0841 BFGS: 9407 22:47:50 -219.053226 0.1259 BFGS: 9408 22:47:50 -219.066436 0.1245 BFGS: 9409 22:47:51 -219.059161 0.1374 BFGS: 9410 22:47:51 -219.072723 0.0840 BFGS: 9411 22:47:52 -219.058800 0.2000 BFGS: 9412 22:47:52 -219.066451 0.1244 BFGS: 9413 22:47:53 -219.059138 0.1387 BFGS: 9414 22:47:53 -219.072715 0.0840 BFGS: 9415 22:47:54 -219.058815 0.1996 BFGS: 9416 22:47:54 -219.072034 0.1919 BFGS: 9417 22:47:54 -219.059112 0.1396 BFGS: 9418 22:47:54 -219.072699 0.0841 BFGS: 9419 22:47:55 -219.053270 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22:48:07 -219.058843 0.1476 BFGS: 9446 22:48:08 -219.072618 0.0842 BFGS: 9447 22:48:08 -219.053393 0.1390 BFGS: 9448 22:48:09 -219.066610 0.1238 BFGS: 9449 22:48:09 -219.058781 0.1486 BFGS: 9450 22:48:10 -219.072607 0.0842 BFGS: 9451 22:48:10 -219.058973 0.2014 BFGS: 9452 22:48:10 -219.066629 0.1237 BFGS: 9453 22:48:11 -219.058748 0.1502 BFGS: 9454 22:48:11 -219.072596 0.0842 BFGS: 9455 22:48:11 -219.058994 0.2010 BFGS: 9456 22:48:12 -219.066649 0.1237 BFGS: 9457 22:48:12 -219.058707 0.1515 BFGS: 9458 22:48:13 -219.072584 0.0842 BFGS: 9459 22:48:13 -219.059015 0.2003 BFGS: 9460 22:48:13 -219.072239 0.1962 BFGS: 9461 22:48:14 -219.058668 0.1526 BFGS: 9462 22:48:14 -219.072564 0.0843 BFGS: 9463 22:48:15 -219.053722 0.1446 BFGS: 9464 22:48:15 -219.066672 0.1235 BFGS: 9465 22:48:15 -219.058622 0.1536 BFGS: 9466 22:48:16 -219.072567 0.0842 BFGS: 9467 22:48:17 -219.059302 0.2017 BFGS: 9468 22:48:17 -219.066687 0.1233 BFGS: 9469 22:48:18 -219.058586 0.1552 BFGS: 9470 22:48:18 -219.072558 0.0842 BFGS: 9471 22:48:19 -219.059324 0.2012 BFGS: 9472 22:48:19 -219.072276 0.1957 BFGS: 9473 22:48:20 -219.058541 0.1565 BFGS: 9474 22:48:20 -219.072538 0.0843 BFGS: 9475 22:48:20 -219.053788 0.1488 BFGS: 9476 22:48:21 -219.066733 0.1232 BFGS: 9477 22:48:21 -219.058464 0.1578 BFGS: 9478 22:48:22 -219.072524 0.0842 BFGS: 9479 22:48:23 -219.059374 0.2024 BFGS: 9480 22:48:23 -219.066757 0.1231 BFGS: 9481 22:48:23 -219.058418 0.1595 BFGS: 9482 22:48:24 -219.072509 0.0842 BFGS: 9483 22:48:25 -219.059399 0.2020 BFGS: 9484 22:48:26 -219.072351 0.1930 BFGS: 9485 22:48:26 -219.058367 0.1618 BFGS: 9486 22:48:26 -219.072486 0.0844 BFGS: 9487 22:48:27 -219.053866 0.1531 BFGS: 9488 22:48:27 -219.066810 0.1231 BFGS: 9489 22:48:28 -219.058287 0.1640 BFGS: 9490 22:48:28 -219.072471 0.0843 BFGS: 9491 22:48:28 -219.059454 0.2031 BFGS: 9492 22:48:29 -219.066836 0.1230 BFGS: 9493 22:48:29 -219.058237 0.1664 BFGS: 9494 22:48:30 -219.072455 0.0843 BFGS: 9495 22:48:30 -219.059481 0.2028 BFGS: 9496 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0.2203 BFGS: 9624 22:49:41 -219.073247 0.1972 BFGS: 9625 22:49:42 -219.055932 0.2667 BFGS: 9626 22:49:42 -219.066162 0.1199 BFGS: 9627 22:49:42 -219.061903 0.2244 BFGS: 9628 22:49:43 -219.067724 0.1195 BFGS: 9629 22:49:43 -219.055826 0.2706 BFGS: 9630 22:49:44 -219.066141 0.1203 BFGS: 9631 22:49:44 -219.061955 0.2261 BFGS: 9632 22:49:45 -219.067768 0.1195 BFGS: 9633 22:49:45 -219.055718 0.2745 BFGS: 9634 22:49:46 -219.066115 0.1207 BFGS: 9635 22:49:46 -219.056444 0.2254 BFGS: 9636 22:49:47 -219.067814 0.1195 BFGS: 9637 22:49:47 -219.055582 0.2786 BFGS: 9638 22:49:48 -219.066084 0.1212 BFGS: 9639 22:49:48 -219.062062 0.2295 BFGS: 9640 22:49:49 -219.073431 0.1970 BFGS: 9641 22:49:49 -219.055484 0.2825 BFGS: 9642 22:49:50 -219.066051 0.1218 BFGS: 9643 22:49:50 -219.062118 0.2312 BFGS: 9644 22:49:51 -219.067911 0.1196 BFGS: 9645 22:49:51 -219.055360 0.2866 BFGS: 9646 22:49:52 -219.066027 0.1222 BFGS: 9647 22:49:52 -219.056612 0.2305 BFGS: 9648 22:49:52 -219.067959 0.1196 BFGS: 9649 22:49:53 -219.055220 0.2908 BFGS: 9650 22:49:53 -219.065995 0.1227 BFGS: 9651 22:49:54 -219.062234 0.2346 BFGS: 9652 22:49:54 -219.068009 0.1196 BFGS: 9653 22:49:55 -219.055108 0.2949 BFGS: 9654 22:49:55 -219.065967 0.1231 BFGS: 9655 22:49:56 -219.062293 0.2363 BFGS: 9656 22:49:56 -219.068059 0.1197 BFGS: 9657 22:49:57 -219.054986 0.2991 BFGS: 9658 22:49:57 -219.065938 0.1236 BFGS: 9659 22:49:57 -219.060457 0.2356 BFGS: 9660 22:49:57 -219.073577 0.2010 BFGS: 9661 22:49:57 -219.055081 0.3014 BFGS: 9662 22:49:57 -219.065981 0.1234 BFGS: 9663 22:49:58 -219.066068 0.2404 BFGS: 9664 22:49:59 -219.068022 0.1185 BFGS: 9665 22:49:59 -219.055095 0.3041 BFGS: 9666 22:50:00 -219.065993 0.1233 BFGS: 9667 22:50:01 -219.066122 0.2424 BFGS: 9668 22:50:01 -219.068056 0.1184 BFGS: 9669 22:50:01 -219.055073 0.3071 BFGS: 9670 22:50:01 -219.065985 0.1235 BFGS: 9671 22:50:02 -219.060616 0.2418 BFGS: 9672 22:50:02 -219.073670 0.1998 BFGS: 9673 22:50:02 -219.055015 0.3104 BFGS: 9674 22:50:03 -219.065961 0.1238 BFGS: 9675 22:50:03 -219.066242 0.2459 BFGS: 9676 22:50:04 -219.068149 0.1182 BFGS: 9677 22:50:04 -219.054963 0.3136 BFGS: 9678 22:50:05 -219.065948 0.1240 BFGS: 9679 22:50:05 -219.060740 0.2452 BFGS: 9680 22:50:06 -219.068198 0.1182 BFGS: 9681 22:50:06 -219.054882 0.3171 BFGS: 9682 22:50:07 -219.065926 0.1243 BFGS: 9683 22:50:07 -219.066370 0.2492 BFGS: 9684 22:50:07 -219.068250 0.1181 BFGS: 9685 22:50:08 -219.054824 0.3204 BFGS: 9686 22:50:08 -219.065905 0.1246 BFGS: 9687 22:50:09 -219.060872 0.2484 BFGS: 9688 22:50:09 -219.073873 0.2002 BFGS: 9689 22:50:10 -219.054740 0.3241 BFGS: 9690 22:50:10 -219.065875 0.1250 BFGS: 9691 22:50:11 -219.066506 0.2523 BFGS: 9692 22:50:12 -219.068358 0.1180 BFGS: 9693 22:50:13 -219.054664 0.3276 BFGS: 9694 22:50:13 -219.065857 0.1252 BFGS: 9695 22:50:14 -219.061012 0.2515 BFGS: 9696 22:50:14 -219.076857 0.0732 BFGS: 9697 22:50:15 -219.071292 0.2052 BFGS: 9698 22:50:16 -219.073178 0.2005 BFGS: 9699 22:50:16 -219.056265 0.3058 BFGS: 9700 22:50:17 -219.066426 0.1200 BFGS: 9701 22:50:18 -219.066571 0.2531 BFGS: 9702 22:50:18 -219.068237 0.1167 BFGS: 9703 22:50:19 -219.055151 0.3245 BFGS: 9704 22:50:20 -219.065999 0.1235 BFGS: 9705 22:50:21 -219.061121 0.2532 BFGS: 9706 22:50:21 -219.076834 0.0746 BFGS: 9707 22:50:22 -219.071342 0.2047 BFGS: 9708 22:50:22 -219.067644 0.1127 BFGS: 9709 22:50:22 -219.056204 0.3115 BFGS: 9710 22:50:23 -219.066429 0.1198 BFGS: 9711 22:50:24 -219.061151 0.2533 BFGS: 9712 22:50:24 -219.068335 0.1165 BFGS: 9713 22:50:25 -219.054943 0.3325 BFGS: 9714 22:50:25 -219.066312 0.1238 BFGS: 9715 22:50:26 -219.061236 0.2555 BFGS: 9716 22:50:27 -219.076780 0.0763 BFGS: 9717 22:50:27 -219.071425 0.2049 BFGS: 9718 22:50:28 -219.073301 0.2013 BFGS: 9719 22:50:28 -219.056051 0.3198 BFGS: 9720 22:50:28 -219.066393 0.1203 BFGS: 9721 22:50:29 -219.061323 0.2562 BFGS: 9722 22:50:29 -219.076824 0.0759 BFGS: 9723 22:50:30 -219.071448 0.2037 BFGS: 9724 22:50:30 -219.067687 0.1117 BFGS: 9725 22:50:31 -219.056134 0.3218 BFGS: 9726 22:50:31 -219.066803 0.1199 BFGS: 9727 22:50:32 -219.061359 0.2568 BFGS: 9728 22:50:32 -219.076814 0.0765 BFGS: 9729 22:50:33 -219.065910 0.1106 BFGS: 9730 22:50:34 -219.073279 0.2015 BFGS: 9731 22:50:34 -219.056130 0.3260 BFGS: 9732 22:50:35 -219.066807 0.1203 BFGS: 9733 22:50:35 -219.061461 0.2578 BFGS: 9734 22:50:36 -219.076788 0.0772 BFGS: 9735 22:50:37 -219.071533 0.2040 BFGS: 9736 22:50:38 -219.067756 0.1113 BFGS: 9737 22:50:38 -219.056045 0.3302 BFGS: 9738 22:50:39 -219.066796 0.1205 BFGS: 9739 22:50:40 -219.061550 0.2587 BFGS: 9740 22:50:40 -219.076758 0.0778 BFGS: 9741 22:50:41 -219.066022 0.1114 BFGS: 9742 22:50:41 -219.073382 0.2006 BFGS: 9743 22:50:42 -219.055994 0.3351 BFGS: 9744 22:50:42 -219.066780 0.1211 BFGS: 9745 22:50:43 -219.061656 0.2597 BFGS: 9746 22:50:43 -219.076726 0.0782 BFGS: 9747 22:50:44 -219.071658 0.2044 BFGS: 9748 22:50:44 -219.067870 0.1112 BFGS: 9749 22:50:44 -219.055883 0.3394 BFGS: 9750 22:50:45 -219.066761 0.1214 BFGS: 9751 22:50:45 -219.061746 0.2605 BFGS: 9752 22:50:46 -219.076694 0.0786 BFGS: 9753 22:50:46 -219.066155 0.1119 BFGS: 9754 22:50:47 -219.067931 0.1112 BFGS: 9755 22:50:47 -219.055777 0.3446 BFGS: 9756 22:50:48 -219.066740 0.1219 BFGS: 9757 22:50:48 -219.061848 0.2615 BFGS: 9758 22:50:49 -219.076660 0.0790 BFGS: 9759 22:50:50 -219.071797 0.2050 BFGS: 9760 22:50:50 -219.073567 0.2022 BFGS: 9761 22:50:51 -219.055735 0.3484 BFGS: 9762 22:50:52 -219.066720 0.1224 BFGS: 9763 22:50:52 -219.061946 0.2623 BFGS: 9764 22:50:52 -219.076626 0.0794 BFGS: 9765 22:50:53 -219.066297 0.1122 BFGS: 9766 22:50:53 -219.068057 0.1111 BFGS: 9767 22:50:54 -219.055608 0.3536 BFGS: 9768 22:50:55 -219.066698 0.1229 BFGS: 9769 22:50:55 -219.062048 0.2632 BFGS: 9770 22:50:55 -219.076592 0.0797 BFGS: 9771 22:50:56 -219.071942 0.2053 BFGS: 9772 22:50:56 -219.073696 0.2011 BFGS: 9773 22:50:57 -219.055548 0.3575 BFGS: 9774 22:50:57 -219.066675 0.1233 BFGS: 9775 22:50:58 -219.062147 0.2639 BFGS: 9776 22:50:58 -219.076557 0.0800 BFGS: 9777 22:50:59 -219.066444 0.1123 BFGS: 9778 22:51:00 -219.068187 0.1111 BFGS: 9779 22:51:00 -219.055408 0.3628 BFGS: 9780 22:51:01 -219.066651 0.1238 BFGS: 9781 22:51:01 -219.062249 0.2647 BFGS: 9782 22:51:02 -219.076522 0.0803 BFGS: 9783 22:51:02 -219.072092 0.2056 BFGS: 9784 22:51:03 -219.068255 0.1111 BFGS: 9785 22:51:04 -219.055268 0.3675 BFGS: 9786 22:51:05 -219.066621 0.1243 BFGS: 9787 22:51:05 -219.062343 0.2654 BFGS: 9788 22:51:06 -219.082058 0.2679 BFGS: 9789 22:51:07 -219.066598 0.1123 BFGS: 9790 22:51:07 -219.076829 0.0773 BFGS: 9791 22:51:08 -219.067869 0.1080 BFGS: 9792 22:51:08 -219.073772 0.1956 BFGS: 9793 22:51:09 -219.055719 0.3541 BFGS: 9794 22:51:09 -219.066685 0.1239 BFGS: 9795 22:51:10 -219.067946 0.2648 BFGS: 9796 22:51:11 -219.076483 0.0808 BFGS: 9797 22:51:11 -219.072177 0.2083 BFGS: 9798 22:51:12 -219.076825 0.0780 BFGS: 9799 22:51:13 -219.067871 0.1079 BFGS: 9800 22:51:14 -219.068200 0.1106 BFGS: 9801 22:51:14 -219.055658 0.3564 BFGS: 9802 22:51:15 -219.066681 0.1233 BFGS: 9803 22:51:15 -219.067961 0.2655 BFGS: 9804 22:51:16 -219.076470 0.0810 BFGS: 9805 22:51:17 -219.072198 0.2079 BFGS: 9806 22:51:18 -219.076813 0.0793 BFGS: 9807 22:51:18 -219.067882 0.1077 BFGS: 9808 22:51:19 -219.068216 0.1105 BFGS: 9809 22:51:20 -219.055618 0.3573 BFGS: 9810 22:51:20 -219.066667 0.1232 BFGS: 9811 22:51:21 -219.067991 0.2658 BFGS: 9812 22:51:22 -219.076455 0.0812 BFGS: 9813 22:51:22 -219.072224 0.2073 BFGS: 9814 22:51:23 -219.076799 0.0802 BFGS: 9815 22:51:24 -219.067903 0.1076 BFGS: 9816 22:51:24 -219.068239 0.1104 BFGS: 9817 22:51:25 -219.055610 0.3577 BFGS: 9818 22:51:26 -219.066654 0.1232 BFGS: 9819 22:51:26 -219.062447 0.2637 BFGS: 9820 22:51:27 -219.076440 0.0814 BFGS: 9821 22:51:28 -219.072249 0.2073 BFGS: 9822 22:51:28 -219.082359 0.2689 BFGS: 9823 22:51:29 -219.067925 0.1075 BFGS: 9824 22:51:29 -219.068263 0.1103 BFGS: 9825 22:51:30 -219.055620 0.3578 BFGS: 9826 22:51:30 -219.066644 0.1233 BFGS: 9827 22:51:31 -219.062474 0.2640 BFGS: 9828 22:51:31 -219.076426 0.0816 BFGS: 9829 22:51:32 -219.072274 0.2072 BFGS: 9830 22:51:32 -219.076772 0.0813 BFGS: 9831 22:51:32 -219.073520 0.2040 BFGS: 9832 22:51:33 -219.073860 0.2018 BFGS: 9833 22:51:33 -219.055707 0.3564 BFGS: 9834 22:51:33 -219.066637 0.1233 BFGS: 9835 22:51:34 -219.062491 0.2641 BFGS: 9836 22:51:34 -219.076415 0.0818 BFGS: 9837 22:51:35 -219.072291 0.2070 BFGS: 9838 22:51:35 -219.076762 0.0817 BFGS: 9839 22:51:36 -219.067962 0.1074 BFGS: 9840 22:51:36 -219.076819 0.0762 BFGS: 9841 22:51:36 -219.073790 0.2023 BFGS: 9842 22:51:37 -219.068279 0.1104 BFGS: 9843 22:51:37 -219.053559 0.3531 BFGS: 9844 22:51:38 -219.066102 0.1250 BFGS: 9845 22:51:38 -219.059145 0.2484 BFGS: 9846 22:51:39 -219.081870 0.2699 BFGS: 9847 22:51:39 -219.066950 0.1059 BFGS: 9848 22:51:40 -219.082247 0.2700 BFGS: 9849 22:51:40 -219.068160 0.1098 BFGS: 9850 22:51:41 -219.082316 0.2681 BFGS: 9851 22:51:41 -219.082361 0.2653 BFGS: 9852 22:51:42 -219.065205 0.1179 BFGS: 9853 22:51:42 -219.067468 0.1077 BFGS: 9854 22:51:43 -219.046466 0.1989 BFGS: 9855 22:51:43 -219.078332 0.2683 BFGS: 9856 22:51:44 -219.062066 0.2054 BFGS: 9857 22:51:44 -219.082221 0.2686 BFGS: 9858 22:51:44 -219.066056 0.1060 BFGS: 9859 22:51:45 -219.067891 0.1104 BFGS: 9860 22:51:45 -219.057565 0.2190 BFGS: 9861 22:51:46 -219.077966 0.2615 BFGS: 9862 22:51:46 -219.058143 0.2183 BFGS: 9863 22:51:47 -219.082143 0.2679 BFGS: 9864 22:51:47 -219.066113 0.1057 BFGS: 9865 22:51:48 -219.068014 0.1106 BFGS: 9866 22:51:49 -219.057339 0.2300 BFGS: 9867 22:51:49 -219.077889 0.2585 BFGS: 9868 22:51:50 -219.058156 0.2209 BFGS: 9869 22:51:50 -219.076548 0.0813 BFGS: 9870 22:51:51 -219.066149 0.1057 BFGS: 9871 22:51:51 -219.068054 0.1104 BFGS: 9872 22:51:52 -219.057323 0.2354 BFGS: 9873 22:51:53 -219.077884 0.2571 BFGS: 9874 22:51:53 -219.058194 0.2223 BFGS: 9875 22:51:54 -219.076538 0.0814 BFGS: 9876 22:51:54 -219.066181 0.1056 BFGS: 9877 22:51:55 -219.068081 0.1103 BFGS: 9878 22:51:56 -219.057354 0.2393 BFGS: 9879 22:51:56 -219.077892 0.2562 BFGS: 9880 22:51:57 -219.058238 0.2232 BFGS: 9881 22:51:57 -219.076530 0.0815 BFGS: 9882 22:51:58 -219.066212 0.1055 BFGS: 9883 22:51:58 -219.068106 0.1102 BFGS: 9884 22:51:59 -219.057382 0.2426 BFGS: 9885 22:52:00 -219.077900 0.2555 BFGS: 9886 22:52:00 -219.058284 0.2240 BFGS: 9887 22:52:01 -219.076521 0.0814 BFGS: 9888 22:52:02 -219.066243 0.1053 BFGS: 9889 22:52:03 -219.068131 0.1103 BFGS: 9890 22:52:03 -219.057392 0.2459 BFGS: 9891 22:52:04 -219.077904 0.2550 BFGS: 9892 22:52:05 -219.058332 0.2247 BFGS: 9893 22:52:05 -219.076512 0.0814 BFGS: 9894 22:52:06 -219.066276 0.1052 BFGS: 9895 22:52:07 -219.068157 0.1103 BFGS: 9896 22:52:08 -219.057382 0.2491 BFGS: 9897 22:52:09 -219.077905 0.2546 BFGS: 9898 22:52:09 -219.058381 0.2253 BFGS: 9899 22:52:10 -219.076501 0.0813 BFGS: 9900 22:52:10 -219.066309 0.1050 BFGS: 9901 22:52:11 -219.068184 0.1104 BFGS: 9902 22:52:12 -219.057355 0.2523 BFGS: 9903 22:52:12 -219.077902 0.2543 BFGS: 9904 22:52:13 -219.058430 0.2258 BFGS: 9905 22:52:13 -219.076489 0.0813 BFGS: 9906 22:52:13 -219.066343 0.1048 BFGS: 9907 22:52:14 -219.068212 0.1105 BFGS: 9908 22:52:15 -219.057317 0.2556 BFGS: 9909 22:52:15 -219.077897 0.2540 BFGS: 9910 22:52:16 -219.058480 0.2263 BFGS: 9911 22:52:17 -219.076477 0.0812 BFGS: 9912 22:52:18 -219.066378 0.1046 BFGS: 9913 22:52:18 -219.068242 0.1107 BFGS: 9914 22:52:19 -219.057271 0.2588 BFGS: 9915 22:52:20 -219.077891 0.2537 BFGS: 9916 22:52:21 -219.058526 0.2268 BFGS: 9917 22:52:21 -219.076465 0.0812 BFGS: 9918 22:52:22 -219.066411 0.1044 BFGS: 9919 22:52:23 -219.068270 0.1108 BFGS: 9920 22:52:23 -219.057223 0.2619 BFGS: 9921 22:52:24 -219.072115 0.2524 BFGS: 9922 22:52:24 -219.057554 0.2451 BFGS: 9923 22:52:25 -219.076639 0.0825 BFGS: 9924 22:52:26 -219.066042 0.1119 BFGS: 9925 22:52:26 -219.067942 0.1081 BFGS: 9926 22:52:27 -219.063253 0.2580 BFGS: 9927 22:52:27 -219.078100 0.2537 BFGS: 9928 22:52:28 -219.058562 0.2292 BFGS: 9929 22:52:29 -219.076492 0.0814 BFGS: 9930 22:52:29 -219.066416 0.1052 BFGS: 9931 22:52:30 -219.068244 0.1104 BFGS: 9932 22:52:31 -219.062828 0.2649 BFGS: 9933 22:52:31 -219.072151 0.2518 BFGS: 9934 22:52:32 -219.057586 0.2475 BFGS: 9935 22:52:33 -219.076632 0.0825 BFGS: 9936 22:52:33 -219.066080 0.1121 BFGS: 9937 22:52:34 -219.067969 0.1081 BFGS: 9938 22:52:35 -219.063200 0.2638 BFGS: 9939 22:52:35 -219.072340 0.2521 BFGS: 9940 22:52:35 -219.057616 0.2485 BFGS: 9941 22:52:36 -219.076658 0.0826 BFGS: 9942 22:52:37 -219.066076 0.1126 BFGS: 9943 22:52:37 -219.067937 0.1078 BFGS: 9944 22:52:38 -219.063224 0.2663 BFGS: 9945 22:52:38 -219.072370 0.2518 BFGS: 9946 22:52:39 -219.057661 0.2490 BFGS: 9947 22:52:39 -219.076653 0.0826 BFGS: 9948 22:52:40 -219.066103 0.1125 BFGS: 9949 22:52:40 -219.067955 0.1079 BFGS: 9950 22:52:41 -219.063177 0.2694 BFGS: 9951 22:52:41 -219.072368 0.2515 BFGS: 9952 22:52:42 -219.057710 0.2494 BFGS: 9953 22:52:42 -219.076642 0.0826 BFGS: 9954 22:52:43 -219.066135 0.1122 BFGS: 9955 22:52:43 -219.067982 0.1080 BFGS: 9956 22:52:43 -219.063116 0.2727 BFGS: 9957 22:52:44 -219.072360 0.2512 BFGS: 9958 22:52:45 -219.057759 0.2497 BFGS: 9959 22:52:45 -219.076629 0.0826 BFGS: 9960 22:52:46 -219.066170 0.1120 BFGS: 9961 22:52:46 -219.068011 0.1082 BFGS: 9962 22:52:47 -219.063052 0.2758 BFGS: 9963 22:52:47 -219.072351 0.2509 BFGS: 9964 22:52:48 -219.057809 0.2500 BFGS: 9965 22:52:48 -219.076616 0.0826 BFGS: 9966 22:52:49 -219.066205 0.1117 BFGS: 9967 22:52:50 -219.068041 0.1083 BFGS: 9968 22:52:50 -219.062987 0.2789 BFGS: 9969 22:52:51 -219.072341 0.2505 BFGS: 9970 22:52:52 -219.057859 0.2503 BFGS: 9971 22:52:53 -219.076603 0.0826 BFGS: 9972 22:52:53 -219.066240 0.1114 BFGS: 9973 22:52:54 -219.068071 0.1084 BFGS: 9974 22:52:54 -219.062923 0.2820 BFGS: 9975 22:52:55 -219.072331 0.2502 BFGS: 9976 22:52:55 -219.057910 0.2506 BFGS: 9977 22:52:56 -219.076589 0.0826 BFGS: 9978 22:52:56 -219.066275 0.1112 BFGS: 9979 22:52:57 -219.068102 0.1086 BFGS: 9980 22:52:57 -219.062860 0.2849 BFGS: 9981 22:52:58 -219.072320 0.2500 BFGS: 9982 22:52:58 -219.057960 0.2509 BFGS: 9983 22:52:59 -219.076575 0.0826 BFGS: 9984 22:52:59 -219.066311 0.1110 BFGS: 9985 22:53:00 -219.068132 0.1087 BFGS: 9986 22:53:00 -219.062796 0.2878 BFGS: 9987 22:53:01 -219.072310 0.2497 BFGS: 9988 22:53:01 -219.058010 0.2512 BFGS: 9989 22:53:02 -219.076561 0.0826 BFGS: 9990 22:53:02 -219.066347 0.1107 BFGS: 9991 22:53:03 -219.068163 0.1088 BFGS: 9992 22:53:04 -219.062734 0.2907 BFGS: 9993 22:53:04 -219.072299 0.2494 BFGS: 9994 22:53:05 -219.058061 0.2515 BFGS: 9995 22:53:05 -219.076547 0.0825 BFGS: 9996 22:53:05 -219.066383 0.1105 BFGS: 9997 22:53:06 -219.068194 0.1090 BFGS: 9998 22:53:06 -219.062672 0.2935 BFGS: 9999 22:53:07 -219.072289 0.2491 BFGS: 10000 22:53:08 -219.064606 0.3565 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.34776760102462595 eV/Angstrom Maximum stress component: 0.012182995522603981 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', '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', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.54589371 0.45604371 0.41225244] [0.95410629 0.54395629 0.91225244] [0.45410629 0.95604371 0.08774756] [0.04589371 0.04395629 0.58774756] [0.44877285 0.68043375 0.47637286] [0.05122715 0.31956625 0.97637286] [0.55122715 0.18043375 0.02362714] [0.94877285 0.81956625 0.52362714] [0.72136652 0.6186988 0.30603932] [0.77863348 0.3813012 0.80603932] [0.27863348 0.1186988 0.19396068] [0.22136652 0.8813012 0.69396068] [0.60925565 0.22174524 0.34963626] [0.89074435 0.77825476 0.84963626] [0.39074435 0.72174524 0.15036374] [0.10925565 0.27825476 0.65036374] [0.21023293 0.49187941 0.56131591] [0.28976707 0.50812059 0.06131591] [0.78976707 0.99187941 0.93868409] [0.71023293 0.00812059 0.43868409] [0.43055238 0.4044031 0.52405786] [0.06944762 0.5955969 0.02405786] [0.56944762 0.9044031 0.97594214] [0.93055238 0.0955969 0.47594214] [0.57695157 0.60176283 0.39057589] [0.92304843 0.39823717 0.89057589] [0.42304843 0.10176283 0.10942411] [0.07695157 0.89823717 0.60942411] [0.65290811 0.35813189 0.3125849 ] [0.84709189 0.64186811 0.8125849 ] [0.34709189 0.85813189 0.1874151 ] [0.15290811 0.14186811 0.6874151 ] [0.92940529 0.3953684 0.29641496] [0.57059471 0.6046316 0.79641496] [0.07059471 0.8953684 0.20358504] [0.42940529 0.1046316 0.70358504] [0.20292725 0.63367303 0.53884906] [0.29707275 0.36632697 0.03884906] [0.79707275 0.13367303 0.96115094] [0.70292725 0.86632697 0.46115094] [0.01758675 0.42778107 0.62611229] [0.48241325 0.57221893 0.12611229] [0.98241325 0.92778107 0.87388771] [0.51758675 0.07221893 0.37388771] [0.9892349 0.53272348 0.28601395] [0.5107651 0.46727652 0.78601395] [0.0107651 0.03272348 0.21398605] [0.4892349 0.96727652 0.71398605] [0.10019636 0.29556946 0.30189616] [0.39980364 0.70443054 0.80189616] [0.89980364 0.79556946 0.19810384] [0.60019636 0.20443054 0.69810384]] cellpar = Cell([5.319647024845637, 9.187380137478234, 9.670655286290005]) forces = [[ 0.15458186 -0.00118581 -0.08966598] [-0.15458186 0.00118581 -0.08966598] [-0.15458186 -0.00118581 0.08966598] [ 0.15458186 0.00118581 0.08966598] [-0.03880127 0.04164018 0.03726391] [ 0.03880127 -0.04164018 0.03726391] [ 0.03880127 0.04164018 -0.03726391] [-0.03880127 -0.04164018 -0.03726391] [-0.02523336 -0.01096108 0.02161375] [ 0.02523336 0.01096108 0.02161375] [ 0.02523336 -0.01096108 -0.02161375] [-0.02523336 0.01096108 -0.02161375] [ 0.01228462 0.12408241 -0.04640713] [-0.01228462 -0.12408241 -0.04640713] [-0.01228462 0.12408241 0.04640713] [ 0.01228462 -0.12408241 0.04640713] [ 0.02973357 0.04178763 -0.0235374 ] [-0.02973357 -0.04178763 -0.0235374 ] [-0.02973357 0.04178763 0.0235374 ] [ 0.02973357 -0.04178763 0.0235374 ] [ 0.11351761 0.06002937 -0.07494488] [-0.11351761 -0.06002937 -0.07494488] [-0.11351761 0.06002937 0.07494488] [ 0.11351761 -0.06002937 0.07494488] [-0.0437485 -0.3477676 0.04768015] [ 0.0437485 0.3477676 0.04768015] [ 0.0437485 -0.3477676 -0.04768015] [-0.0437485 0.3477676 -0.04768015] [-0.18628522 0.11117948 0.3349525 ] [ 0.18628522 -0.11117948 0.3349525 ] [ 0.18628522 0.11117948 -0.3349525 ] [-0.18628522 -0.11117948 -0.3349525 ] [-0.01986708 -0.03100808 0.04191023] [ 0.01986708 0.03100808 0.04191023] [ 0.01986708 -0.03100808 -0.04191023] [-0.01986708 0.03100808 -0.04191023] [ 0.07031479 -0.10129426 -0.02651077] [-0.07031479 0.10129426 -0.02651077] [-0.07031479 -0.10129426 0.02651077] [ 0.07031479 0.10129426 0.02651077] [ 0.03451579 -0.05272398 -0.09560489] [-0.03451579 0.05272398 -0.09560489] [-0.03451579 -0.05272398 0.09560489] [ 0.03451579 0.05272398 0.09560489] [ 0.00362199 -0.01828097 -0.04612184] [-0.00362199 0.01828097 -0.04612184] [-0.00362199 -0.01828097 0.04612184] [ 0.00362199 0.01828097 0.04612184] [-0.06883752 -0.0209059 0.07017327] [ 0.06883752 0.0209059 0.07017327] [ 0.06883752 -0.0209059 -0.07017327] [-0.06883752 0.0209059 -0.07017327]] stress = [0.00481247 0.012183 0.00456364 0. 0. 0. ] energy per atom = -4.137835662491873 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0