element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: AB6C6D4_aP68_2_2i_12i_12i_8i Parameter names: ['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', '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', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24', 'x25', 'y25', 'z25', 'x26', 'y26', 'z26', 'x27', 'y27', 'z27', 'x28', 'y28', 'z28', 'x29', 'y29', 'z29', 'x30', 'y30', 'z30', 'x31', 'y31', 'z31', 'x32', 'y32', 'z32', 'x33', 'y33', 'z33', 'x34', 'y34', 'z34'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['9.8659', '1.0170284', '0.86466516', '112.5868', '114.0006', '81.9761', '0.16197458', '0.56989485', '0.02030116', '0.46741604', '0.8916705', '0.1468244', '0.18376126', '0.76254324', '0.23755896', '0.061699301', '0.73040189', '0.92200253', '0.06790307', '0.56457333', '0.75420794', '0.24429926', '0.60769778', '0.29561751', '0.23251173', '0.38245551', '0.071891558', '0.15524134', '0.36035572', '0.83968213', '0.31194986', '0.03610284', '0.066744132', '0.28597545', '0.86072497', '0.90449449', '0.64091787', '0.96082036', '0.39871491', '0.49986012', '0.085419203', '0.36297445', '0.58456634', '0.71803289', '0.19575704', '0.45624767', '0.6803158', '0.97196696', '0.31372825', '0.46844672', '0.43850557', '0.099311451', '0.62765803', '0.88970501', '0.19887254', '0.65329106', '0.19760895', '0.19098275', '0.4286462', '0.97405271', '0.34701246', '0.93250035', '0.030014009', '0.54256095', '0.98679441', '0.31407806', '0.51518771', '0.75573042', '0.096476466', '0.34482021', '0.32445443', '0.39273899', '0.34678542', '0.54948164', '0.62272439', '0.044295107', '0.00014683769', '0.25557047', '0.052063891', '0.22428093', '0.48294521', '0.98639982', '0.13540661', '0.30179682', '0.025751288', '0.35527282', '0.5080877', '0.12212553', '0.1799451', '0.61236595', '0.9622411', '0.91271205', '0.10487685', '0.17234309', '0.9685906', '0.34653559', '0.33843176', '0.68195001', '0.65248796', '0.37621927', '0.49904852', '0.74552219', '0.30142514', '0.2596397', '0.22073605', '0.41294124', '0.26220327', '0.50336177'] model name: Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['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', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] representative atom coordinates = [[1.6197458e-01 5.6989485e-01 2.0301160e-02] [4.6741604e-01 8.9167050e-01 1.4682440e-01] [1.8376126e-01 7.6254324e-01 2.3755896e-01] [6.1699301e-02 7.3040189e-01 9.2200253e-01] [6.7903070e-02 5.6457333e-01 7.5420794e-01] [2.4429926e-01 6.0769778e-01 2.9561751e-01] [2.3251173e-01 3.8245551e-01 7.1891558e-02] [1.5524134e-01 3.6035572e-01 8.3968213e-01] [3.1194986e-01 3.6102840e-02 6.6744132e-02] [2.8597545e-01 8.6072497e-01 9.0449449e-01] [6.4091787e-01 9.6082036e-01 3.9871491e-01] [4.9986012e-01 8.5419203e-02 3.6297445e-01] [5.8456634e-01 7.1803289e-01 1.9575704e-01] [4.5624767e-01 6.8031580e-01 9.7196696e-01] [3.1372825e-01 4.6844672e-01 4.3850557e-01] [9.9311451e-02 6.2765803e-01 8.8970501e-01] [1.9887254e-01 6.5329106e-01 1.9760895e-01] [1.9098275e-01 4.2864620e-01 9.7405271e-01] [3.4701246e-01 9.3250035e-01 3.0014009e-02] [5.4256095e-01 9.8679441e-01 3.1407806e-01] [5.1518771e-01 7.5573042e-01 9.6476466e-02] [3.4482021e-01 3.2445443e-01 3.9273899e-01] [3.4678542e-01 5.4948164e-01 6.2272439e-01] [4.4295107e-02 1.4683769e-04 2.5557047e-01] [5.2063891e-02 2.2428093e-01 4.8294521e-01] [9.8639982e-01 1.3540661e-01 3.0179682e-01] [2.5751288e-02 3.5527282e-01 5.0808770e-01] [1.2212553e-01 1.7994510e-01 6.1236595e-01] [9.6224110e-01 9.1271205e-01 1.0487685e-01] [1.7234309e-01 9.6859060e-01 3.4653559e-01] [3.3843176e-01 6.8195001e-01 6.5248796e-01] [3.7621927e-01 4.9904852e-01 7.4552219e-01] [3.0142514e-01 2.5963970e-01 2.2073605e-01] [4.1294124e-01 2.6220327e-01 5.0336177e-01]] spacegroup = 2 cell = [[9.8659, 0, 0], [1.4005936010743, 9.9356674045899, 0], [-3.46982989091, -2.8197590079361, 7.265127814107]] ========================================= Step Time Energy fmax BFGS: 0 12:10:28 -250.717713 13.947836 BFGS: 1 12:10:29 -254.817969 7.217709 BFGS: 2 12:10:30 -258.801780 7.190091 BFGS: 3 12:10:30 -266.490156 23.838331 BFGS: 4 12:10:31 -266.165701 19.370459 BFGS: 5 12:10:31 -266.283355 15.184761 BFGS: 6 12:10:31 -269.857460 20.025854 BFGS: 7 12:10:31 -269.269459 27.486697 BFGS: 8 12:10:32 -267.724898 25.573351 BFGS: 9 12:10:32 -267.047252 10.724089 BFGS: 10 12:10:32 -271.084668 19.248997 BFGS: 11 12:10:33 -267.812091 32.388318 BFGS: 12 12:10:33 -270.597527 10.477606 BFGS: 13 12:10:34 -271.727652 5.105455 BFGS: 14 12:10:34 -272.194380 5.855566 BFGS: 15 12:10:35 -272.014238 17.543827 BFGS: 16 12:10:36 -272.635297 3.804561 BFGS: 17 12:10:36 -272.722741 3.778821 BFGS: 18 12:10:37 -272.896872 2.593825 BFGS: 19 12:10:38 -272.957105 7.045767 BFGS: 20 12:10:39 -273.052980 2.118861 BFGS: 21 12:10:40 -273.183482 2.442649 BFGS: 22 12:10:42 -273.453896 2.563850 BFGS: 23 12:10:43 -273.651138 2.641271 BFGS: 24 12:10:44 -273.901424 3.001533 BFGS: 25 12:10:45 -274.221967 2.947068 BFGS: 26 12:10:46 -274.544872 2.445362 BFGS: 27 12:10:47 -274.759200 2.635429 BFGS: 28 12:10:48 -274.803241 5.184744 BFGS: 29 12:10:49 -275.108061 2.934712 BFGS: 30 12:10:50 -275.273957 1.601824 BFGS: 31 12:10:51 -275.431880 1.840085 BFGS: 32 12:10:52 -275.663307 2.660057 BFGS: 33 12:10:53 -275.885665 1.686060 BFGS: 34 12:10:53 -275.960222 2.691053 BFGS: 35 12:10:54 -276.134734 2.053557 BFGS: 36 12:10:54 -276.059798 4.335287 BFGS: 37 12:10:55 -276.305149 0.902566 BFGS: 38 12:10:56 -276.329261 2.521521 BFGS: 39 12:10:57 -276.466967 1.598724 BFGS: 40 12:10:58 -276.463756 2.926398 BFGS: 41 12:10:59 -276.622195 0.857291 BFGS: 42 12:10:59 -276.720281 1.167691 BFGS: 43 12:11:00 -276.820678 1.002048 BFGS: 44 12:11:00 -276.914348 1.209773 BFGS: 45 12:11:00 -277.004012 1.031394 BFGS: 46 12:11:01 -277.087740 1.154063 BFGS: 47 12:11:01 -277.151638 0.985653 BFGS: 48 12:11:01 -277.222499 1.327420 BFGS: 49 12:11:02 -277.279984 1.043940 BFGS: 50 12:11:02 -277.347204 0.963424 BFGS: 51 12:11:02 -277.449661 1.033481 BFGS: 52 12:11:02 -277.510347 0.992883 BFGS: 53 12:11:03 -277.571765 0.986154 BFGS: 54 12:11:03 -277.633584 0.975606 BFGS: 55 12:11:04 -277.689223 0.944168 BFGS: 56 12:11:05 -277.744741 0.842338 BFGS: 57 12:11:05 -277.801339 0.718488 BFGS: 58 12:11:06 -277.853665 0.602345 BFGS: 59 12:11:06 -277.899820 0.486794 BFGS: 60 12:11:07 -277.950275 0.435594 BFGS: 61 12:11:07 -277.990022 0.422497 BFGS: 62 12:11:07 -278.031863 0.489587 BFGS: 63 12:11:08 -278.070742 0.567743 BFGS: 64 12:11:08 -278.116127 0.647384 BFGS: 65 12:11:09 -278.140713 0.786012 BFGS: 66 12:11:09 -278.184866 0.850875 BFGS: 67 12:11:10 -278.224071 0.798762 BFGS: 68 12:11:10 -278.298976 0.794648 BFGS: 69 12:11:10 -278.331246 0.676829 BFGS: 70 12:11:10 -278.369506 0.385156 BFGS: 71 12:11:11 -278.397379 0.611009 BFGS: 72 12:11:11 -278.439941 0.397650 BFGS: 73 12:11:12 -278.477796 0.698331 BFGS: 74 12:11:12 -278.510453 0.629536 BFGS: 75 12:11:12 -278.548907 0.749297 BFGS: 76 12:11:13 -278.596290 0.742383 BFGS: 77 12:11:13 -278.641392 0.573905 BFGS: 78 12:11:13 -278.661590 0.636561 BFGS: 79 12:11:13 -278.699281 0.645626 BFGS: 80 12:11:14 -278.725922 0.358554 BFGS: 81 12:11:14 -278.767139 0.306740 BFGS: 82 12:11:15 -278.801698 0.351292 BFGS: 83 12:11:15 -278.833696 0.484524 BFGS: 84 12:11:16 -278.868130 0.503940 BFGS: 85 12:11:16 -278.902708 0.478874 BFGS: 86 12:11:16 -278.936576 0.384330 BFGS: 87 12:11:17 -278.966704 0.430328 BFGS: 88 12:11:17 -279.031301 0.341438 BFGS: 89 12:11:17 -279.061659 0.351581 BFGS: 90 12:11:18 -279.104154 0.513158 BFGS: 91 12:11:18 -279.196590 0.585573 BFGS: 92 12:11:19 -279.239714 0.619684 BFGS: 93 12:11:19 -279.287614 0.606470 BFGS: 94 12:11:20 -279.347049 0.710580 BFGS: 95 12:11:20 -279.417034 0.705988 BFGS: 96 12:11:20 -279.471512 0.824437 BFGS: 97 12:11:21 -279.549782 1.014485 BFGS: 98 12:11:21 -279.631240 0.925645 BFGS: 99 12:11:22 -279.703144 0.920394 BFGS: 100 12:11:22 -279.783848 0.727158 BFGS: 101 12:11:23 -279.864962 0.595826 BFGS: 102 12:11:23 -279.944860 0.549611 BFGS: 103 12:11:23 -279.992133 0.708042 BFGS: 104 12:11:24 -280.050178 0.714864 BFGS: 105 12:11:24 -280.094802 0.656912 BFGS: 106 12:11:25 -280.152445 0.546180 BFGS: 107 12:11:25 -280.215645 0.675088 BFGS: 108 12:11:25 -280.273289 0.790500 BFGS: 109 12:11:26 -280.328433 0.882363 BFGS: 110 12:11:26 -280.387507 0.913494 BFGS: 111 12:11:27 -280.448654 1.038811 BFGS: 112 12:11:27 -280.529944 0.989741 BFGS: 113 12:11:28 -280.596347 0.772293 BFGS: 114 12:11:28 -280.679933 1.067632 BFGS: 115 12:11:29 -280.728861 1.097139 BFGS: 116 12:11:29 -280.796219 0.989310 BFGS: 117 12:11:29 -280.860501 1.053247 BFGS: 118 12:11:30 -280.931206 1.097635 BFGS: 119 12:11:30 -281.002216 1.133123 BFGS: 120 12:11:31 -281.068972 1.065276 BFGS: 121 12:11:31 -281.141408 1.080830 BFGS: 122 12:11:32 -281.190992 0.862938 BFGS: 123 12:11:32 -281.253320 0.820869 BFGS: 124 12:11:32 -281.314700 0.747868 BFGS: 125 12:11:33 -281.354101 0.962927 BFGS: 126 12:11:33 -281.379830 1.517297 BFGS: 127 12:11:33 -281.424661 0.979886 BFGS: 128 12:11:34 -281.481312 0.904613 BFGS: 129 12:11:34 -281.523742 0.747554 BFGS: 130 12:11:35 -281.568087 0.553048 BFGS: 131 12:11:35 -281.611835 0.641222 BFGS: 132 12:11:35 -281.644097 1.415757 BFGS: 133 12:11:36 -281.682603 0.716455 BFGS: 134 12:11:36 -281.716027 1.217427 BFGS: 135 12:11:37 -281.754857 0.850708 BFGS: 136 12:11:37 -281.783285 0.891585 BFGS: 137 12:11:37 -281.833315 0.968559 BFGS: 138 12:11:38 -281.867170 0.643263 BFGS: 139 12:11:38 -281.905876 0.576826 BFGS: 140 12:11:39 -281.937414 0.753572 BFGS: 141 12:11:39 -281.965245 0.703722 BFGS: 142 12:11:39 -282.000377 0.688475 BFGS: 143 12:11:40 -282.033826 0.815806 BFGS: 144 12:11:40 -282.100654 0.679485 BFGS: 145 12:11:40 -282.126654 0.797649 BFGS: 146 12:11:41 -282.148923 0.648418 BFGS: 147 12:11:41 -282.176267 0.654776 BFGS: 148 12:11:41 -282.202773 0.760186 BFGS: 149 12:11:42 -282.224542 0.742417 BFGS: 150 12:11:42 -282.247462 1.096417 BFGS: 151 12:11:43 -282.274722 0.831303 BFGS: 152 12:11:43 -282.297370 1.071932 BFGS: 153 12:11:43 -282.324154 1.063944 BFGS: 154 12:11:44 -282.353803 1.358888 BFGS: 155 12:11:44 -282.397115 1.297697 BFGS: 156 12:11:45 -282.432041 0.759974 BFGS: 157 12:11:45 -282.461574 0.786745 BFGS: 158 12:11:45 -282.492484 0.797449 BFGS: 159 12:11:46 -282.522502 0.815515 BFGS: 160 12:11:46 -282.547523 0.815020 BFGS: 161 12:11:47 -282.595909 0.788479 BFGS: 162 12:11:47 -282.665878 1.234579 BFGS: 163 12:11:47 -282.713474 1.769538 BFGS: 164 12:11:48 -282.761513 3.024571 BFGS: 165 12:11:48 -282.809335 2.373110 BFGS: 166 12:11:49 -282.877035 2.149718 BFGS: 167 12:11:49 -282.916650 1.346000 BFGS: 168 12:11:49 -282.946748 0.850091 BFGS: 169 12:11:50 -282.970326 0.665184 BFGS: 170 12:11:50 -282.988923 0.524865 BFGS: 171 12:11:51 -283.017206 0.868572 BFGS: 172 12:11:51 -283.035491 0.762124 BFGS: 173 12:11:51 -283.055322 0.619219 BFGS: 174 12:11:51 -283.077927 0.448249 BFGS: 175 12:11:52 -283.098424 0.390522 BFGS: 176 12:11:52 -283.112980 0.466530 BFGS: 177 12:11:52 -283.135830 0.500782 BFGS: 178 12:11:53 -283.158300 0.471433 BFGS: 179 12:11:53 -283.179382 0.461267 BFGS: 180 12:11:53 -283.201640 0.400460 BFGS: 181 12:11:54 -283.219174 0.386544 BFGS: 182 12:11:54 -283.231315 0.507672 BFGS: 183 12:11:54 -283.245810 0.412375 BFGS: 184 12:11:55 -283.264374 0.387438 BFGS: 185 12:11:55 -283.281256 0.353434 BFGS: 186 12:11:56 -283.299508 0.319924 BFGS: 187 12:11:56 -283.309645 0.378538 BFGS: 188 12:11:57 -283.325698 0.385304 BFGS: 189 12:11:57 -283.341576 0.306409 BFGS: 190 12:11:57 -283.350359 0.405861 BFGS: 191 12:11:58 -283.366199 0.411340 BFGS: 192 12:11:58 -283.379542 0.413687 BFGS: 193 12:11:59 -283.397331 0.465198 BFGS: 194 12:11:59 -283.412728 0.577939 BFGS: 195 12:12:00 -283.425089 0.559256 BFGS: 196 12:12:00 -283.446034 0.537216 BFGS: 197 12:12:00 -283.464696 0.579940 BFGS: 198 12:12:01 -283.485773 0.600840 BFGS: 199 12:12:01 -283.504143 0.659249 BFGS: 200 12:12:01 -283.527562 0.679610 BFGS: 201 12:12:02 -283.547685 0.721555 BFGS: 202 12:12:02 -283.571539 0.731388 BFGS: 203 12:12:02 -283.593705 0.751663 BFGS: 204 12:12:03 -283.614520 0.754136 BFGS: 205 12:12:03 -283.638533 0.759104 BFGS: 206 12:12:04 -283.663359 0.747292 BFGS: 207 12:12:04 -283.694464 0.726953 BFGS: 208 12:12:05 -283.714223 0.708907 BFGS: 209 12:12:05 -283.736112 0.664674 BFGS: 210 12:12:06 -283.755546 0.610974 BFGS: 211 12:12:06 -283.778022 0.537061 BFGS: 212 12:12:06 -283.802390 0.484023 BFGS: 213 12:12:06 -283.820320 0.448194 BFGS: 214 12:12:06 -283.840689 0.391276 BFGS: 215 12:12:07 -283.866229 0.366198 BFGS: 216 12:12:07 -283.883341 0.348305 BFGS: 217 12:12:07 -283.905780 0.347112 BFGS: 218 12:12:08 -283.926358 0.384150 BFGS: 219 12:12:08 -283.950800 0.396848 BFGS: 220 12:12:09 -283.969334 0.455811 BFGS: 221 12:12:09 -283.989145 0.475911 BFGS: 222 12:12:09 -284.008594 0.509488 BFGS: 223 12:12:09 -284.027774 0.526978 BFGS: 224 12:12:10 -284.046529 0.538067 BFGS: 225 12:12:10 -284.065383 0.552263 BFGS: 226 12:12:10 -284.080454 0.541879 BFGS: 227 12:12:11 -284.094317 0.547926 BFGS: 228 12:12:11 -284.106123 0.526599 BFGS: 229 12:12:11 -284.122962 0.525532 BFGS: 230 12:12:12 -284.128926 0.496223 BFGS: 231 12:12:12 -284.144275 0.483355 BFGS: 232 12:12:12 -284.159673 0.460482 BFGS: 233 12:12:13 -284.176309 0.430218 BFGS: 234 12:12:13 -284.192819 0.404833 BFGS: 235 12:12:14 -284.207831 0.365624 BFGS: 236 12:12:14 -284.221959 0.336523 BFGS: 237 12:12:15 -284.235089 0.333834 BFGS: 238 12:12:15 -284.246052 0.359472 BFGS: 239 12:12:15 -284.257582 0.355903 BFGS: 240 12:12:15 -284.267555 0.381002 BFGS: 241 12:12:16 -284.279957 0.352760 BFGS: 242 12:12:16 -284.295036 0.368831 BFGS: 243 12:12:16 -284.305976 0.373023 BFGS: 244 12:12:17 -284.315318 0.392831 BFGS: 245 12:12:17 -284.332732 0.393763 BFGS: 246 12:12:17 -284.343431 0.414085 BFGS: 247 12:12:18 -284.356273 0.412141 BFGS: 248 12:12:18 -284.371188 0.431581 BFGS: 249 12:12:19 -284.383700 0.428243 BFGS: 250 12:12:19 -284.391907 0.454319 BFGS: 251 12:12:19 -284.402243 0.442506 BFGS: 252 12:12:20 -284.413338 0.452103 BFGS: 253 12:12:20 -284.419529 0.978617 BFGS: 254 12:12:21 -284.430563 0.830010 BFGS: 255 12:12:21 -284.441828 0.782513 BFGS: 256 12:12:21 -284.454743 0.755158 BFGS: 257 12:12:22 -284.468399 0.712980 BFGS: 258 12:12:22 -284.477942 0.676081 BFGS: 259 12:12:23 -284.492922 0.653424 BFGS: 260 12:12:23 -284.503545 0.471301 BFGS: 261 12:12:23 -284.519775 0.698796 BFGS: 262 12:12:23 -284.531810 0.658942 BFGS: 263 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-285.458985 0.182053 BFGS: 2011 12:22:33 -285.461257 0.012655 BFGS: 2012 12:22:34 -285.460765 0.012728 BFGS: 2013 12:22:34 -285.460767 0.012695 BFGS: 2014 12:22:35 -285.462020 0.182151 BFGS: 2015 12:22:35 -285.461257 0.012647 BFGS: 2016 12:22:35 -285.460765 0.012759 BFGS: 2017 12:22:36 -285.460767 0.012703 BFGS: 2018 12:22:36 -285.462020 0.182312 BFGS: 2019 12:22:36 -285.461257 0.012643 BFGS: 2020 12:22:36 -285.460765 0.012781 BFGS: 2021 12:22:37 -285.460767 0.012713 BFGS: 2022 12:22:37 -285.458982 0.182416 BFGS: 2023 12:22:38 -285.461257 0.012655 BFGS: 2024 12:22:38 -285.460765 0.012771 BFGS: 2025 12:22:38 -285.460767 0.012720 BFGS: 2026 12:22:39 -285.462018 0.182468 BFGS: 2027 12:22:39 -285.461257 0.012647 BFGS: 2028 12:22:39 -285.460765 0.012803 BFGS: 2029 12:22:40 -285.460767 0.012729 BFGS: 2030 12:22:40 -285.462017 0.182607 BFGS: 2031 12:22:40 -285.461257 0.012644 BFGS: 2032 12:22:40 -285.460765 0.012829 BFGS: 2033 12:22:41 -285.460767 0.012740 BFGS: 2034 12:22:41 -285.458980 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-285.460767 0.012647 BFGS: 4055 12:34:44 -285.459264 0.012907 BFGS: 4056 12:34:45 -285.460767 0.012592 BFGS: 4057 12:34:45 -285.461256 0.012557 BFGS: 4058 12:34:45 -285.461256 0.012584 BFGS: 4059 12:34:45 -285.457716 0.181588 BFGS: 4060 12:34:46 -285.460764 0.013138 BFGS: 4061 12:34:46 -285.460042 0.178104 BFGS: 4062 12:34:46 -285.460766 0.012754 BFGS: 4063 12:34:46 -285.461256 0.012550 BFGS: 4064 12:34:47 -285.460767 0.012679 BFGS: 4065 12:34:47 -285.460767 0.012634 BFGS: 4066 12:34:47 -285.460039 0.178701 BFGS: 4067 12:34:48 -285.459264 0.012897 BFGS: 4068 12:34:48 -285.460759 0.013534 BFGS: 4069 12:34:48 -285.460765 0.013022 BFGS: 4070 12:34:49 -285.457004 0.180340 BFGS: 4071 12:34:49 -285.460767 0.012642 BFGS: 4072 12:34:49 -285.459264 0.012884 BFGS: 4073 12:34:49 -285.460767 0.012581 BFGS: 4074 12:34:50 -285.461256 0.012544 BFGS: 4075 12:34:50 -285.461256 0.012574 BFGS: 4076 12:34:50 -285.457716 0.181627 BFGS: 4077 12:34:51 -285.460764 0.013157 BFGS: 4078 12:34:51 -285.460042 0.178028 BFGS: 4079 12:34:51 -285.460766 0.012751 BFGS: 4080 12:34:52 -285.461256 0.012544 BFGS: 4081 12:34:52 -285.460767 0.012677 BFGS: 4082 12:34:52 -285.460767 0.012632 BFGS: 4083 12:34:53 -285.460039 0.178579 BFGS: 4084 12:34:53 -285.459264 0.012896 BFGS: 4085 12:34:53 -285.460759 0.013555 BFGS: 4086 12:34:54 -285.460765 0.013033 BFGS: 4087 12:34:54 -285.457004 0.180338 BFGS: 4088 12:34:54 -285.460767 0.012647 BFGS: 4089 12:34:55 -285.459264 0.012887 BFGS: 4090 12:34:55 -285.460767 0.012584 BFGS: 4091 12:34:56 -285.461256 0.012548 BFGS: 4092 12:34:56 -285.461256 0.012577 BFGS: 4093 12:34:56 -285.460752 0.014028 BFGS: 4094 12:34:56 -285.460763 0.013224 BFGS: 4095 12:34:57 -285.460039 0.178504 BFGS: 4096 12:34:57 -285.460766 0.012732 BFGS: 4097 12:34:57 -285.459265 0.012937 BFGS: 4098 12:34:58 -285.460767 0.012653 BFGS: 4099 12:34:58 -285.460767 0.012606 BFGS: 4100 12:34:58 -285.460039 0.178451 BFGS: 4101 12:34:59 -285.458352 0.043488 BFGS: 4102 12:34:59 -285.460758 0.013496 BFGS: 4103 12:34:59 -285.460764 0.013008 BFGS: 4104 12:35:00 -285.460039 0.178360 BFGS: 4105 12:35:00 -285.460767 0.012665 BFGS: 4106 12:35:00 -285.459264 0.012915 BFGS: 4107 12:35:00 -285.460767 0.012606 BFGS: 4108 12:35:01 -285.461256 0.012570 BFGS: 4109 12:35:01 -285.460767 0.012598 BFGS: 4110 12:35:01 -285.460767 0.012591 BFGS: 4111 12:35:01 -285.460039 0.178658 BFGS: 4112 12:35:02 -285.460050 0.175291 BFGS: 4113 12:35:02 -285.457711 0.181396 BFGS: 4114 12:35:02 -285.457727 0.181055 BFGS: 4115 12:35:02 -285.460036 0.178943 BFGS: 4116 12:35:03 -285.460766 0.012650 BFGS: 4117 12:35:03 -285.459264 0.012930 BFGS: 4118 12:35:03 -285.460767 0.012627 BFGS: 4119 12:35:04 -285.460767 0.012591 BFGS: 4120 12:35:04 -285.460039 0.178685 BFGS: 4121 12:35:04 -285.460050 0.174775 BFGS: 4122 12:35:05 -285.457711 0.181493 BFGS: 4123 12:35:05 -285.460763 0.013120 BFGS: 4124 12:35:05 -285.460042 0.178083 BFGS: 4125 12:35:06 -285.460766 0.012784 BFGS: 4126 12:35:06 -285.461256 0.012582 BFGS: 4127 12:35:06 -285.460767 0.012708 BFGS: 4128 12:35:07 -285.460767 0.012662 BFGS: 4129 12:35:07 -285.460039 0.178707 BFGS: 4130 12:35:07 -285.459264 0.012919 BFGS: 4131 12:35:08 -285.460760 0.013515 BFGS: 4132 12:35:08 -285.460765 0.013019 BFGS: 4133 12:35:08 -285.460039 0.178665 BFGS: 4134 12:35:09 -285.460767 0.012666 BFGS: 4135 12:35:09 -285.459264 0.012916 BFGS: 4136 12:35:09 -285.460767 0.012605 BFGS: 4137 12:35:09 -285.461256 0.012567 BFGS: 4138 12:35:10 -285.460767 0.012594 BFGS: 4139 12:35:10 -285.461256 0.012586 BFGS: 4140 12:35:10 -285.460767 0.012593 BFGS: 4141 12:35:11 -285.460767 0.012591 BFGS: 4142 12:35:11 -285.457003 0.180488 BFGS: 4143 12:35:11 -285.460050 0.176757 BFGS: 4144 12:35:12 -285.460208 0.014871 BFGS: 4145 12:35:12 -285.460765 0.012929 BFGS: 4146 12:35:12 -285.461256 0.012663 BFGS: 4147 12:35:12 -285.460766 0.012848 BFGS: 4148 12:35:13 -285.460767 0.012742 BFGS: 4149 12:35:13 -285.460038 0.179665 BFGS: 4150 12:35:13 -285.459265 0.012976 BFGS: 4151 12:35:13 -285.460764 0.013324 BFGS: 4152 12:35:14 -285.460766 0.012936 BFGS: 4153 12:35:14 -285.460038 0.179668 BFGS: 4154 12:35:14 -285.460767 0.012634 BFGS: 4155 12:35:15 -285.460051 0.175882 BFGS: 4156 12:35:15 -285.460767 0.012579 BFGS: 4157 12:35:15 -285.461256 0.012542 BFGS: 4158 12:35:16 -285.461256 0.012573 BFGS: 4159 12:35:16 -285.460757 0.014270 BFGS: 4160 12:35:16 -285.460765 0.013218 BFGS: 4161 12:35:17 -285.457003 0.180239 BFGS: 4162 12:35:17 -285.460767 0.012695 BFGS: 4163 12:35:17 -285.459265 0.012890 BFGS: 4164 12:35:18 -285.460767 0.012620 BFGS: 4165 12:35:18 -285.460767 0.012573 BFGS: 4166 12:35:18 -285.457004 0.180338 BFGS: 4167 12:35:19 -285.460050 0.176406 BFGS: 4168 12:35:19 -285.460205 0.014978 BFGS: 4169 12:35:19 -285.460765 0.013071 BFGS: 4170 12:35:20 -285.461256 0.012602 BFGS: 4171 12:35:20 -285.460766 0.012861 BFGS: 4172 12:35:20 -285.460766 0.012730 BFGS: 4173 12:35:20 -285.460038 0.179609 BFGS: 4174 12:35:21 -285.459265 0.012946 BFGS: 4175 12:35:21 -285.460763 0.013426 BFGS: 4176 12:35:21 -285.460766 0.012966 BFGS: 4177 12:35:22 -285.457004 0.180321 BFGS: 4178 12:35:22 -285.460767 0.012611 BFGS: 4179 12:35:22 -285.460051 0.175526 BFGS: 4180 12:35:23 -285.460767 0.012558 BFGS: 4181 12:35:23 -285.461256 0.012524 BFGS: 4182 12:35:23 -285.461256 0.012559 BFGS: 4183 12:35:23 -285.460757 0.014365 BFGS: 4184 12:35:24 -285.460765 0.013246 BFGS: 4185 12:35:24 -285.457004 0.180162 BFGS: 4186 12:35:24 -285.460767 0.012686 BFGS: 4187 12:35:25 -285.459265 0.012876 BFGS: 4188 12:35:25 -285.460767 0.012614 BFGS: 4189 12:35:25 -285.460767 0.012569 BFGS: 4190 12:35:26 -285.460039 0.179367 BFGS: 4191 12:35:26 -285.460051 0.175681 BFGS: 4192 12:35:27 -285.460750 0.014122 BFGS: 4193 12:35:27 -285.460763 0.013240 BFGS: 4194 12:35:27 -285.460039 0.179279 BFGS: 4195 12:35:28 -285.460766 0.012776 BFGS: 4196 12:35:28 -285.461256 0.012542 BFGS: 4197 12:35:28 -285.460767 0.012690 BFGS: 4198 12:35:29 -285.460767 0.012641 BFGS: 4199 12:35:29 -285.460039 0.179292 BFGS: 4200 12:35:29 -285.458352 0.043456 BFGS: 4201 12:35:30 -285.460762 0.013357 BFGS: 4202 12:35:30 -285.460765 0.012935 BFGS: 4203 12:35:30 -285.460039 0.179226 BFGS: 4204 12:35:31 -285.460767 0.012640 BFGS: 4205 12:35:31 -285.459264 0.012912 BFGS: 4206 12:35:31 -285.460767 0.012591 BFGS: 4207 12:35:32 -285.461256 0.012558 BFGS: 4208 12:35:32 -285.460767 0.012584 BFGS: 4209 12:35:32 -285.461256 0.012578 BFGS: 4210 12:35:33 -285.460767 0.012584 BFGS: 4211 12:35:33 -285.460767 0.012585 BFGS: 4212 12:35:33 -285.460038 0.179515 BFGS: 4213 12:35:33 -285.460050 0.176727 BFGS: 4214 12:35:34 -285.457717 0.180876 BFGS: 4215 12:35:34 -285.460765 0.012868 BFGS: 4216 12:35:35 -285.460042 0.178836 BFGS: 4217 12:35:35 -285.460767 0.012797 BFGS: 4218 12:35:35 -285.460767 0.012675 BFGS: 4219 12:35:35 -285.460038 0.179632 BFGS: 4220 12:35:36 -285.460963 0.141738 BFGS: 4221 12:35:36 -285.460759 0.013741 BFGS: 4222 12:35:36 -285.460765 0.013127 BFGS: 4223 12:35:37 -285.460038 0.179632 BFGS: 4224 12:35:37 -285.460767 0.012776 BFGS: 4225 12:35:37 -285.461256 0.012588 BFGS: 4226 12:35:38 -285.460767 0.012699 BFGS: 4227 12:35:38 -285.460767 0.012655 BFGS: 4228 12:35:38 -285.457004 0.180450 BFGS: 4229 12:35:39 -285.460051 0.174292 BFGS: 4230 12:35:39 -285.457706 0.181790 BFGS: 4231 12:35:39 -285.460764 0.013282 BFGS: 4232 12:35:40 -285.460041 0.179161 BFGS: 4233 12:35:40 -285.460766 0.012885 BFGS: 4234 12:35:40 -285.460767 0.012651 BFGS: 4235 12:35:41 -285.457004 0.180384 BFGS: 4236 12:35:41 -285.458352 0.043466 BFGS: 4237 12:35:41 -285.460764 0.013329 BFGS: 4238 12:35:42 -285.460766 0.012906 BFGS: 4239 12:35:42 -285.460038 0.179813 BFGS: 4240 12:35:42 -285.460767 0.012627 BFGS: 4241 12:35:43 -285.459264 0.012906 BFGS: 4242 12:35:43 -285.460767 0.012583 BFGS: 4243 12:35:43 -285.461256 0.012552 BFGS: 4244 12:35:44 -285.460767 0.012578 BFGS: 4245 12:35:44 -285.461256 0.012573 BFGS: 4246 12:35:44 -285.460767 0.012580 BFGS: 4247 12:35:45 -285.460767 0.012580 BFGS: 4248 12:35:45 -285.457005 0.180491 BFGS: 4249 12:35:45 -285.460051 0.176866 BFGS: 4250 12:35:46 -285.460594 0.113798 BFGS: 4251 12:35:46 -285.457731 0.180640 BFGS: 4252 12:35:46 -285.461256 0.012489 BFGS: 4253 12:35:47 -285.461256 0.012548 BFGS: 4254 12:35:47 -285.457725 0.181480 BFGS: 4255 12:35:48 -285.460766 0.012912 BFGS: 4256 12:35:48 -285.460044 0.179142 BFGS: 4257 12:35:48 -285.460767 0.012673 BFGS: 4258 12:35:49 -285.460767 0.012604 BFGS: 4259 12:35:49 -285.460039 0.180005 BFGS: 4260 12:35:49 -285.460051 0.176599 BFGS: 4261 12:35:50 -285.460752 0.014155 BFGS: 4262 12:35:50 -285.460764 0.013272 BFGS: 4263 12:35:50 -285.460039 0.179939 BFGS: 4264 12:35:51 -285.460767 0.012856 BFGS: 4265 12:35:51 -285.460767 0.012634 BFGS: 4266 12:35:51 -285.460039 0.180069 BFGS: 4267 12:35:52 -285.459264 0.012932 BFGS: 4268 12:35:52 -285.460766 0.013038 BFGS: 4269 12:35:52 -285.460767 0.012786 BFGS: 4270 12:35:53 -285.457004 0.180388 BFGS: 4271 12:35:53 -285.461256 0.012561 BFGS: 4272 12:35:54 -285.460766 0.013134 BFGS: 4273 12:35:54 -285.460767 0.012848 BFGS: 4274 12:35:54 -285.460039 0.180124 BFGS: 4275 12:35:54 -285.460767 0.012602 BFGS: 4276 12:35:54 -285.460051 0.175678 BFGS: 4277 12:35:55 -285.461256 0.012559 BFGS: 4278 12:35:55 -285.460767 0.012767 BFGS: 4279 12:35:55 -285.460767 0.012670 BFGS: 4280 12:35:55 -285.457004 0.180239 BFGS: 4281 12:35:56 -285.458352 0.043484 BFGS: 4282 12:35:56 -285.460765 0.013430 BFGS: 4283 12:35:56 -285.460766 0.012936 BFGS: 4284 12:35:57 -285.457004 0.180222 BFGS: 4285 12:35:57 -285.460767 0.012603 BFGS: 4286 12:35:57 -285.460051 0.174728 BFGS: 4287 12:35:57 -285.460767 0.012563 BFGS: 4288 12:35:58 -285.461256 0.012534 BFGS: 4289 12:35:58 -285.460767 0.012568 BFGS: 4290 12:35:58 -285.460767 0.012567 BFGS: 4291 12:35:59 -285.457005 0.180494 BFGS: 4292 12:35:59 -285.460051 0.176539 BFGS: 4293 12:36:00 -285.457582 0.181787 BFGS: 4294 12:36:00 -285.457731 0.180637 BFGS: 4295 12:36:00 -285.459265 0.012951 BFGS: 4296 12:36:00 -285.461256 0.012557 BFGS: 4297 12:36:01 -285.460766 0.012899 BFGS: 4298 12:36:01 -285.460767 0.012782 BFGS: 4299 12:36:01 -285.460040 0.179829 BFGS: 4300 12:36:02 -285.461256 0.012576 BFGS: 4301 12:36:02 -285.460766 0.013126 BFGS: 4302 12:36:02 -285.460767 0.012851 BFGS: 4303 12:36:03 -285.460039 0.179888 BFGS: 4304 12:36:03 -285.460767 0.012612 BFGS: 4305 12:36:03 -285.460051 0.175132 BFGS: 4306 12:36:04 -285.461256 0.012572 BFGS: 4307 12:36:04 -285.460767 0.012800 BFGS: 4308 12:36:04 -285.460767 0.012690 BFGS: 4309 12:36:05 -285.460039 0.180040 BFGS: 4310 12:36:05 -285.459265 0.012922 BFGS: 4311 12:36:05 -285.460766 0.013288 BFGS: 4312 12:36:06 -285.460767 0.012886 BFGS: 4313 12:36:06 -285.460039 0.179957 BFGS: 4314 12:36:06 -285.460767 0.012595 BFGS: 4315 12:36:06 -285.460051 0.175024 BFGS: 4316 12:36:07 -285.461256 0.012553 BFGS: 4317 12:36:07 -285.460767 0.012819 BFGS: 4318 12:36:07 -285.460767 0.012693 BFGS: 4319 12:36:08 -285.457004 0.180169 BFGS: 4320 12:36:08 -285.458352 0.043483 BFGS: 4321 12:36:08 -285.460764 0.013613 BFGS: 4322 12:36:09 -285.460766 0.013017 BFGS: 4323 12:36:09 -285.457004 0.180216 BFGS: 4324 12:36:09 -285.460767 0.012635 BFGS: 4325 12:36:10 -285.458352 0.043500 BFGS: 4326 12:36:10 -285.460767 0.012577 BFGS: 4327 12:36:10 -285.461256 0.012538 BFGS: 4328 12:36:11 -285.460767 0.012576 BFGS: 4329 12:36:11 -285.460767 0.012574 BFGS: 4330 12:36:11 -285.460039 0.179595 BFGS: 4331 12:36:12 -285.460051 0.176114 BFGS: 4332 12:36:12 -285.460753 0.013630 BFGS: 4333 12:36:12 -285.460764 0.013102 BFGS: 4334 12:36:13 -285.460039 0.179506 BFGS: 4335 12:36:13 -285.460766 0.012816 BFGS: 4336 12:36:13 -285.460767 0.012636 BFGS: 4337 12:36:14 -285.460039 0.179704 BFGS: 4338 12:36:14 -285.460051 0.173589 BFGS: 4339 12:36:14 -285.460753 0.014029 BFGS: 4340 12:36:15 -285.460765 0.013227 BFGS: 4341 12:36:15 -285.460039 0.179612 BFGS: 4342 12:36:16 -285.460766 0.012827 BFGS: 4343 12:36:16 -285.460767 0.012613 BFGS: 4344 12:36:16 -285.457005 0.180344 BFGS: 4345 12:36:16 -285.458352 0.043461 BFGS: 4346 12:36:17 -285.460764 0.013258 BFGS: 4347 12:36:17 -285.460766 0.012889 BFGS: 4348 12:36:17 -285.460039 0.179719 BFGS: 4349 12:36:18 -285.460767 0.012640 BFGS: 4350 12:36:18 -285.459264 0.012928 BFGS: 4351 12:36:18 -285.460767 0.012597 BFGS: 4352 12:36:18 -285.461256 0.012567 BFGS: 4353 12:36:19 -285.460767 0.012591 BFGS: 4354 12:36:19 -285.460767 0.012586 BFGS: 4355 12:36:19 -285.460039 0.179678 BFGS: 4356 12:36:20 -285.460051 0.175617 BFGS: 4357 12:36:20 -285.457716 0.181629 BFGS: 4358 12:36:20 -285.460765 0.013068 BFGS: 4359 12:36:20 -285.460043 0.178842 BFGS: 4360 12:36:21 -285.460766 0.012840 BFGS: 4361 12:36:21 -285.460767 0.012678 BFGS: 4362 12:36:21 -285.460039 0.179699 BFGS: 4363 12:36:21 -285.459265 0.012962 BFGS: 4364 12:36:21 -285.460766 0.013088 BFGS: 4365 12:36:22 -285.460767 0.012821 BFGS: 4366 12:36:22 -285.460039 0.179712 BFGS: 4367 12:36:22 -285.460767 0.012603 BFGS: 4368 12:36:23 -285.458352 0.043449 BFGS: 4369 12:36:23 -285.461256 0.012559 BFGS: 4370 12:36:23 -285.460766 0.013038 BFGS: 4371 12:36:23 -285.460767 0.012802 BFGS: 4372 12:36:24 -285.457004 0.180272 BFGS: 4373 12:36:24 -285.461256 0.012545 BFGS: 4374 12:36:24 -285.460765 0.013261 BFGS: 4375 12:36:25 -285.460766 0.012892 BFGS: 4376 12:36:25 -285.460039 0.179868 BFGS: 4377 12:36:25 -285.460767 0.012614 BFGS: 4378 12:36:26 -285.459264 0.012896 BFGS: 4379 12:36:26 -285.460767 0.012571 BFGS: 4380 12:36:26 -285.461256 0.012543 BFGS: 4381 12:36:27 -285.461256 0.012567 BFGS: 4382 12:36:27 -285.460761 0.013929 BFGS: 4383 12:36:27 -285.460766 0.013095 BFGS: 4384 12:36:28 -285.460039 0.179814 BFGS: 4385 12:36:28 -285.460767 0.012707 BFGS: 4386 12:36:28 -285.461256 0.012517 BFGS: 4387 12:36:29 -285.460767 0.012644 BFGS: 4388 12:36:29 -285.460767 0.012604 BFGS: 4389 12:36:29 -285.460039 0.179767 BFGS: 4390 12:36:30 -285.459264 0.012909 BFGS: 4391 12:36:30 -285.460766 0.013110 BFGS: 4392 12:36:30 -285.460766 0.012812 BFGS: 4393 12:36:30 -285.460039 0.179732 BFGS: 4394 12:36:30 -285.460767 0.012587 BFGS: 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-285.459263 0.012983 BFGS: 8654 13:00:01 -285.456805 0.180927 BFGS: 8655 13:00:01 -285.459851 0.042854 BFGS: 8656 13:00:02 -285.460949 0.143922 BFGS: 8657 13:00:02 -285.460766 0.012718 BFGS: 8658 13:00:02 -285.461255 0.012551 BFGS: 8659 13:00:02 -285.460766 0.012684 BFGS: 8660 13:00:03 -285.460766 0.012657 BFGS: 8661 13:00:03 -285.460950 0.143706 BFGS: 8662 13:00:03 -285.461254 0.012541 BFGS: 8663 13:00:03 -285.459844 0.042053 BFGS: 8664 13:00:03 -285.459852 0.042867 BFGS: 8665 13:00:04 -285.460948 0.143951 BFGS: 8666 13:00:04 -285.460766 0.012681 BFGS: 8667 13:00:04 -285.461254 0.012513 BFGS: 8668 13:00:05 -285.460766 0.012649 BFGS: 8669 13:00:05 -285.460766 0.012625 BFGS: 8670 13:00:05 -285.460949 0.143503 BFGS: 8671 13:00:06 -285.459263 0.012958 BFGS: 8672 13:00:06 -285.459839 0.041879 BFGS: 8673 13:00:06 -285.459851 0.042788 BFGS: 8674 13:00:07 -285.460948 0.143749 BFGS: 8675 13:00:07 -285.460766 0.012725 BFGS: 8676 13:00:07 -285.461255 0.012531 BFGS: 8677 13:00:07 -285.460766 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9797 13:05:24 -285.460986 0.175889 BFGS: 9798 13:05:24 -285.460765 0.013108 BFGS: 9799 13:05:25 -285.460767 0.012637 BFGS: 9800 13:05:25 -285.458339 0.044381 BFGS: 9801 13:05:26 -285.459263 0.012938 BFGS: 9802 13:05:26 -285.460986 0.175659 BFGS: 9803 13:05:26 -285.460765 0.013134 BFGS: 9804 13:05:26 -285.460767 0.012631 BFGS: 9805 13:05:27 -285.458339 0.044416 BFGS: 9806 13:05:27 -285.459263 0.012925 BFGS: 9807 13:05:27 -285.460986 0.175479 BFGS: 9808 13:05:28 -285.459853 0.042820 BFGS: 9809 13:05:28 -285.461256 0.012531 BFGS: 9810 13:05:28 -285.460766 0.012881 BFGS: 9811 13:05:29 -285.460766 0.012801 BFGS: 9812 13:05:29 -285.459250 0.012138 BFGS: 9813 13:05:29 -285.461255 0.012606 BFGS: 9814 13:05:29 -285.461540 0.174717 BFGS: 9815 13:05:30 -285.459851 0.042752 BFGS: 9816 13:05:30 -285.459244 0.011594 BFGS: 9817 13:05:31 -285.460767 0.012805 BFGS: 9818 13:05:31 -285.459264 0.012985 BFGS: 9819 13:05:31 -285.460767 0.012691 BFGS: 9820 13:05:32 -285.461256 0.012650 BFGS: 9821 13:05:32 -285.460767 0.012680 BFGS: 9822 13:05:32 -285.460767 0.012668 BFGS: 9823 13:05:33 -285.460949 0.142367 BFGS: 9824 13:05:33 -285.460962 0.138481 BFGS: 9825 13:05:33 -285.456253 0.180716 BFGS: 9826 13:05:34 -285.459852 0.043186 BFGS: 9827 13:05:34 -285.460767 0.012553 BFGS: 9828 13:05:35 -285.460951 0.139944 BFGS: 9829 13:05:35 -285.459264 0.012986 BFGS: 9830 13:05:35 -285.459839 0.042500 BFGS: 9831 13:05:36 -285.460763 0.013231 BFGS: 9832 13:05:36 -285.460951 0.140639 BFGS: 9833 13:05:36 -285.460766 0.012893 BFGS: 9834 13:05:37 -285.461256 0.012637 BFGS: 9835 13:05:37 -285.460767 0.012786 BFGS: 9836 13:05:38 -285.460767 0.012740 BFGS: 9837 13:05:38 -285.458339 0.044298 BFGS: 9838 13:05:38 -285.461255 0.012591 BFGS: 9839 13:05:38 -285.461539 0.172860 BFGS: 9840 13:05:39 -285.460763 0.013222 BFGS: 9841 13:05:39 -285.459249 0.012041 BFGS: 9842 13:05:39 -285.460767 0.012900 BFGS: 9843 13:05:39 -285.461255 0.012633 BFGS: 9844 13:05:39 -285.460767 0.012762 BFGS: 9845 13:05:39 -285.460767 0.012713 BFGS: 9846 13:05:39 -285.458339 0.044306 BFGS: 9847 13:05:40 -285.459263 0.013002 BFGS: 9848 13:05:40 -285.459285 0.042807 BFGS: 9849 13:05:40 -285.460765 0.013115 BFGS: 9850 13:05:40 -285.460767 0.012642 BFGS: 9851 13:05:41 -285.460037 0.172891 BFGS: 9852 13:05:41 -285.459263 0.012939 BFGS: 9853 13:05:41 -285.459304 0.042234 BFGS: 9854 13:05:41 -285.460765 0.013047 BFGS: 9855 13:05:42 -285.460767 0.012660 BFGS: 9856 13:05:42 -285.458339 0.044450 BFGS: 9857 13:05:42 -285.459263 0.012942 BFGS: 9858 13:05:42 -285.460986 0.173238 BFGS: 9859 13:05:43 -285.460765 0.013147 BFGS: 9860 13:05:43 -285.460767 0.012631 BFGS: 9861 13:05:43 -285.460037 0.173015 BFGS: 9862 13:05:44 -285.459263 0.012910 BFGS: 9863 13:05:44 -285.459304 0.042175 BFGS: 9864 13:05:44 -285.460765 0.013062 BFGS: 9865 13:05:44 -285.460767 0.012655 BFGS: 9866 13:05:45 -285.458339 0.044476 BFGS: 9867 13:05:45 -285.459263 0.012927 BFGS: 9868 13:05:45 -285.460986 0.173613 BFGS: 9869 13:05:46 -285.460765 0.013157 BFGS: 9870 13:05:46 -285.460767 0.012627 BFGS: 9871 13:05:46 -285.460037 0.173606 BFGS: 9872 13:05:46 -285.459263 0.012901 BFGS: 9873 13:05:47 -285.459304 0.042162 BFGS: 9874 13:05:47 -285.460765 0.013066 BFGS: 9875 13:05:47 -285.460767 0.012653 BFGS: 9876 13:05:48 -285.460037 0.172156 BFGS: 9877 13:05:48 -285.459263 0.012907 BFGS: 9878 13:05:48 -285.459304 0.042100 BFGS: 9879 13:05:49 -285.460765 0.013068 BFGS: 9880 13:05:49 -285.460767 0.012652 BFGS: 9881 13:05:49 -285.458339 0.044498 BFGS: 9882 13:05:50 -285.459263 0.012922 BFGS: 9883 13:05:50 -285.460986 0.174398 BFGS: 9884 13:05:50 -285.460765 0.013157 BFGS: 9885 13:05:51 -285.460767 0.012624 BFGS: 9886 13:05:51 -285.460037 0.172920 BFGS: 9887 13:05:51 -285.459263 0.012897 BFGS: 9888 13:05:51 -285.461005 0.170405 BFGS: 9889 13:05:52 -285.460765 0.013050 BFGS: 9890 13:05:52 -285.460767 0.012653 BFGS: 9891 13:05:52 -285.458339 0.044447 BFGS: 9892 13:05:53 -285.459263 0.012921 BFGS: 9893 13:05:53 -285.460986 0.174375 BFGS: 9894 13:05:53 -285.460765 0.013156 BFGS: 9895 13:05:53 -285.460767 0.012625 BFGS: 9896 13:05:53 -285.460949 0.140464 BFGS: 9897 13:05:54 -285.459263 0.012911 BFGS: 9898 13:05:54 -285.461539 0.173148 BFGS: 9899 13:05:54 -285.459851 0.042670 BFGS: 9900 13:05:55 -285.460030 0.175509 BFGS: 9901 13:05:55 -285.460767 0.012768 BFGS: 9902 13:05:55 -285.459264 0.012949 BFGS: 9903 13:05:55 -285.460767 0.012684 BFGS: 9904 13:05:56 -285.460767 0.012652 BFGS: 9905 13:05:56 -285.460949 0.141243 BFGS: 9906 13:05:56 -285.459263 0.012964 BFGS: 9907 13:05:56 -285.461539 0.173499 BFGS: 9908 13:05:57 -285.460763 0.013227 BFGS: 9909 13:05:57 -285.460947 0.141818 BFGS: 9910 13:05:57 -285.460766 0.012880 BFGS: 9911 13:05:57 -285.461256 0.012615 BFGS: 9912 13:05:58 -285.460767 0.012763 BFGS: 9913 13:05:58 -285.460767 0.012716 BFGS: 9914 13:05:58 -285.459250 0.012236 BFGS: 9915 13:05:58 -285.459264 0.013024 BFGS: 9916 13:05:59 -285.460994 0.175061 BFGS: 9917 13:05:59 -285.460765 0.013035 BFGS: 9918 13:05:59 -285.460767 0.012674 BFGS: 9919 13:06:00 -285.460037 0.171799 BFGS: 9920 13:06:00 -285.459263 0.012956 BFGS: 9921 13:06:00 -285.461005 0.172634 BFGS: 9922 13:06:01 -285.460765 0.013026 BFGS: 9923 13:06:01 -285.460767 0.012670 BFGS: 9924 13:06:01 -285.460037 0.173137 BFGS: 9925 13:06:01 -285.459263 0.012935 BFGS: 9926 13:06:02 -285.461005 0.173630 BFGS: 9927 13:06:02 -285.460765 0.013040 BFGS: 9928 13:06:02 -285.460767 0.012666 BFGS: 9929 13:06:03 -285.458339 0.044411 BFGS: 9930 13:06:03 -285.459263 0.012940 BFGS: 9931 13:06:03 -285.460986 0.174856 BFGS: 9932 13:06:04 -285.460765 0.013149 BFGS: 9933 13:06:04 -285.460767 0.012635 BFGS: 9934 13:06:04 -285.460037 0.172575 BFGS: 9935 13:06:05 -285.459263 0.012910 BFGS: 9936 13:06:05 -285.461005 0.173262 BFGS: 9937 13:06:06 -285.460765 0.013051 BFGS: 9938 13:06:06 -285.460767 0.012659 BFGS: 9939 13:06:06 -285.460037 0.173198 BFGS: 9940 13:06:07 -285.459263 0.012914 BFGS: 9941 13:06:07 -285.461005 0.173714 BFGS: 9942 13:06:08 -285.460765 0.013052 BFGS: 9943 13:06:08 -285.460767 0.012660 BFGS: 9944 13:06:08 -285.458339 0.044438 BFGS: 9945 13:06:09 -285.459263 0.012930 BFGS: 9946 13:06:09 -285.460986 0.174852 BFGS: 9947 13:06:09 -285.460765 0.013156 BFGS: 9948 13:06:10 -285.460767 0.012631 BFGS: 9949 13:06:10 -285.460037 0.173514 BFGS: 9950 13:06:11 -285.459263 0.012903 BFGS: 9951 13:06:11 -285.461005 0.173706 BFGS: 9952 13:06:11 -285.460765 0.013053 BFGS: 9953 13:06:12 -285.460767 0.012657 BFGS: 9954 13:06:12 -285.460037 0.173620 BFGS: 9955 13:06:13 -285.459263 0.012910 BFGS: 9956 13:06:13 -285.461004 0.173905 BFGS: 9957 13:06:13 -285.460765 0.013054 BFGS: 9958 13:06:13 -285.460767 0.012658 BFGS: 9959 13:06:14 -285.460037 0.172986 BFGS: 9960 13:06:14 -285.459263 0.012912 BFGS: 9961 13:06:14 -285.461004 0.173940 BFGS: 9962 13:06:14 -285.460765 0.013054 BFGS: 9963 13:06:15 -285.462466 0.136350 BFGS: 9964 13:06:15 -285.460043 0.174546 BFGS: 9965 13:06:15 -285.460343 0.043603 BFGS: 9966 13:06:16 -285.462459 0.140292 BFGS: 9967 13:06:16 -285.462464 0.139974 BFGS: 9968 13:06:16 -285.458341 0.044755 BFGS: 9969 13:06:16 -285.460767 0.012725 BFGS: 9970 13:06:17 -285.461256 0.012540 BFGS: 9971 13:06:17 -285.460767 0.012693 BFGS: 9972 13:06:17 -285.460767 0.012675 BFGS: 9973 13:06:17 -285.458339 0.044089 BFGS: 9974 13:06:18 -285.459264 0.013006 BFGS: 9975 13:06:18 -285.460986 0.176349 BFGS: 9976 13:06:18 -285.460765 0.013049 BFGS: 9977 13:06:19 -285.460767 0.012653 BFGS: 9978 13:06:19 -285.458339 0.044306 BFGS: 9979 13:06:19 -285.459263 0.012972 BFGS: 9980 13:06:19 -285.460986 0.175880 BFGS: 9981 13:06:19 -285.460765 0.013117 BFGS: 9982 13:06:20 -285.460767 0.012645 BFGS: 9983 13:06:20 -285.458339 0.044384 BFGS: 9984 13:06:20 -285.459263 0.012948 BFGS: 9985 13:06:20 -285.460986 0.175652 BFGS: 9986 13:06:21 -285.459853 0.042829 BFGS: 9987 13:06:21 -285.461256 0.012540 BFGS: 9988 13:06:21 -285.460766 0.012890 BFGS: 9989 13:06:21 -285.460767 0.012810 BFGS: 9990 13:06:22 -285.458339 0.044387 BFGS: 9991 13:06:22 -285.461255 0.012603 BFGS: 9992 13:06:22 -285.461538 0.174836 BFGS: 9993 13:06:22 -285.459851 0.042704 BFGS: 9994 13:06:23 -285.459244 0.011552 BFGS: 9995 13:06:23 -285.460767 0.012826 BFGS: 9996 13:06:23 -285.459264 0.012998 BFGS: 9997 13:06:23 -285.460767 0.012709 BFGS: 9998 13:06:23 -285.460767 0.012667 BFGS: 9999 13:06:24 -285.459250 0.012230 BFGS: 10000 13:06:24 -285.459263 0.012987 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.014370788772258171 eV/Angstrom Maximum stress component: 0.00010583156261132811 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', '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', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[1.89772630e-01 5.55988483e-01 5.27915715e-02] [8.10227370e-01 4.44011517e-01 9.47208429e-01] [5.39294919e-01 9.16173586e-01 2.30034344e-01] [4.60705081e-01 8.38264141e-02 7.69965656e-01] [1.96756445e-01 7.98629366e-01 2.68710149e-01] [8.03243555e-01 2.01370634e-01 7.31289851e-01] [7.17409039e-02 7.65835916e-01 2.52782897e-03] [9.28259096e-01 2.34164084e-01 9.97472171e-01] [7.62050058e-02 5.08946353e-01 7.81002534e-01] [9.23794994e-01 4.91053647e-01 2.18997466e-01] [3.57186270e-01 6.04834033e-01 3.25970585e-01] [6.42813730e-01 3.95165967e-01 6.74029415e-01] [2.93634992e-01 3.56277206e-01 1.22037722e-01] [7.06365008e-01 6.43722794e-01 8.77962278e-01] [1.69126733e-01 3.24496500e-01 8.31084271e-01] [8.30873267e-01 6.75503500e-01 1.68915729e-01] [4.06194021e-01 1.21817768e-01 1.90323130e-01] [5.93805979e-01 8.78182232e-01 8.09676870e-01] [3.73223777e-01 8.58959285e-01 9.77251217e-01] [6.26776223e-01 1.41040715e-01 2.27487826e-02] [7.24988740e-01 9.60024424e-01 4.95085018e-01] [2.75011260e-01 3.99755761e-02 5.04914982e-01] [5.69952841e-01 1.59699208e-01 4.35808764e-01] [4.30047159e-01 8.40300792e-01 5.64191236e-01] [6.18330993e-01 7.20002017e-01 3.05301410e-01] [3.81669007e-01 2.79997983e-01 6.94698590e-01] [4.78456445e-01 6.72012760e-01 1.76640367e-02] [5.21543555e-01 3.27987240e-01 9.82335963e-01] [2.95114477e-01 4.97626625e-01 4.98647935e-01] [7.04885523e-01 5.02373375e-01 5.01352065e-01] [1.06234832e-01 6.13327349e-01 9.35006518e-01] [8.93765168e-01 3.86672651e-01 6.49934824e-02] [2.40873644e-01 6.54737827e-01 2.33363416e-01] [7.59126356e-01 3.45262173e-01 7.66636584e-01] [2.25172674e-01 3.99433616e-01 9.94063444e-01] [7.74827326e-01 6.00566384e-01 5.93655577e-03] [4.33899907e-01 9.69340830e-01 1.19124517e-01] [5.66100093e-01 3.06591702e-02 8.80875483e-01] [6.16682726e-01 1.86780905e-02 4.00521552e-01] [3.83317274e-01 9.81321910e-01 5.99478448e-01] [5.60546869e-01 7.52656038e-01 1.67503600e-01] [4.39453131e-01 2.47343962e-01 8.32496400e-01] [3.45746537e-01 3.63007196e-01 4.29281892e-01] [6.54253463e-01 6.36992804e-01 5.70718108e-01] [3.51400389e-01 6.03287489e-01 7.04313850e-01] [6.48599611e-01 3.96712511e-01 2.95686150e-01] [2.39967866e-02 1.47893815e-03 2.36853016e-01] [9.76003213e-01 9.98521062e-01 7.63146984e-01] [2.56609053e-02 2.38053768e-01 5.18739365e-01] [9.74339095e-01 7.61946232e-01 4.81260635e-01] [9.43432492e-01 1.20213106e-01 3.27482699e-01] [5.65675082e-02 8.79786894e-01 6.72517301e-01] [9.99233616e-01 3.93094889e-01 5.74592416e-01] [7.66383989e-04 6.06905111e-01 4.25407584e-01] [1.07742573e-01 1.84160416e-01 6.34702525e-01] [8.92257427e-01 8.15839584e-01 3.65297475e-01] [9.49276784e-01 8.81888736e-01 6.58381720e-02] [5.07232156e-02 1.18111264e-01 9.34161828e-01] [2.07201275e-01 9.78325338e-01 3.05852301e-01] [7.92798725e-01 2.16746615e-02 6.94147699e-01] [3.21900084e-01 7.55579042e-01 7.63532555e-01] [6.78099916e-01 2.44420958e-01 2.36467445e-01] [4.26438450e-01 5.40977569e-01 8.12459223e-01] [5.73561550e-01 4.59022431e-01 1.87540777e-01] [2.96172472e-01 2.56790817e-01 2.33441559e-01] [7.03827528e-01 7.43209183e-01 7.66558441e-01] [4.75533475e-01 2.86225441e-01 5.55331253e-01] [5.24466525e-01 7.13774559e-01 4.44668747e-01]] cellpar = Cell([[7.920941402005975, -0.7171769182310213, 0.24688031409659883], [0.38155482984017575, 8.883942948446876, -0.49330142824389944], [-2.154634829516673, -2.7412371846685732, 7.468022243211467]]) forces = [[ 1.46606478e-03 1.58845117e-03 -3.98067901e-04] [-1.46606478e-03 -1.58845117e-03 3.98067901e-04] [ 6.12192244e-04 -3.30346327e-03 -6.81652906e-04] [-6.12192244e-04 3.30346327e-03 6.81652906e-04] [-1.50922331e-05 7.65025748e-06 4.61401876e-06] [ 1.50922331e-05 -7.65025748e-06 -4.61401876e-06] [ 8.92401013e-06 -8.49955044e-06 -1.90196016e-06] [-8.92401013e-06 8.49955044e-06 1.90196016e-06] [-1.88082721e-05 3.41438444e-05 -1.15668654e-04] [ 1.88082721e-05 -3.41438444e-05 1.15668654e-04] [-3.98718420e-06 -3.21257107e-06 5.62225688e-06] [ 3.98718420e-06 3.21257107e-06 -5.62225688e-06] [ 1.18450884e-04 -3.42088917e-04 4.42924227e-04] [-1.18450884e-04 3.42088917e-04 -4.42924227e-04] [-3.34074033e-05 -1.14588575e-04 -4.97578388e-04] [ 3.34074033e-05 1.14588575e-04 4.97578388e-04] [ 3.21504522e-04 -1.05537181e-03 -4.59346418e-04] [-3.21504522e-04 1.05537181e-03 4.59346418e-04] [ 1.53109111e-04 3.97393317e-04 7.33391401e-04] [-1.53109111e-04 -3.97393317e-04 -7.33391401e-04] [-7.09792740e-04 9.48155333e-04 -8.73548399e-04] [ 7.09792740e-04 -9.48155333e-04 8.73548399e-04] [ 6.22499883e-04 -1.12834174e-03 5.45299812e-04] [-6.22499883e-04 1.12834174e-03 -5.45299812e-04] [-2.51283355e-04 1.62974119e-03 -2.41154197e-03] [ 2.51283355e-04 -1.62974119e-03 2.41154197e-03] [ 6.37713676e-04 4.52863846e-04 1.98961520e-03] [-6.37713676e-04 -4.52863846e-04 -1.98961520e-03] [ 2.29658026e-04 -1.33829472e-04 9.07132938e-05] [-2.29658026e-04 1.33829472e-04 -9.07132938e-05] [-1.07886880e-03 2.74118421e-03 -2.67070553e-03] [ 1.07886880e-03 -2.74118421e-03 2.67070553e-03] [ 2.99889229e-04 1.04118722e-03 3.28943300e-03] [-2.99889229e-04 -1.04118722e-03 -3.28943300e-03] [-3.72863263e-03 -1.43707888e-02 -3.27873309e-03] [ 3.72863263e-03 1.43707888e-02 3.27873309e-03] [-4.77595699e-03 4.11507629e-05 5.21730385e-03] [ 4.77595699e-03 -4.11507629e-05 -5.21730385e-03] [-1.37350024e-03 9.06959935e-04 -2.60553053e-03] [ 1.37350024e-03 -9.06959935e-04 2.60553053e-03] [-2.06216138e-04 1.81797682e-04 1.51835253e-03] [ 2.06216138e-04 -1.81797682e-04 -1.51835253e-03] [ 2.40917426e-06 8.98026294e-06 6.40447773e-06] [-2.40917426e-06 -8.98026294e-06 -6.40447773e-06] [ 3.62999740e-06 -1.39018461e-05 -2.62928681e-05] [-3.62999740e-06 1.39018461e-05 2.62928681e-05] [-3.71925704e-05 1.32835344e-04 7.68779035e-05] [ 3.71925704e-05 -1.32835344e-04 -7.68779035e-05] [-1.05728923e-05 6.96544731e-06 -1.28295584e-05] [ 1.05728923e-05 -6.96544731e-06 1.28295584e-05] [-4.13321434e-05 -3.42568888e-05 1.59439914e-05] [ 4.13321434e-05 3.42568888e-05 -1.59439914e-05] [ 2.07365068e-04 -1.43004312e-04 7.68759064e-05] [-2.07365068e-04 1.43004312e-04 -7.68759064e-05] [ 7.95114984e-05 2.18947577e-05 3.10364263e-05] [-7.95114984e-05 -2.18947577e-05 -3.10364263e-05] [-5.85337253e-03 -9.47048380e-03 -1.63980028e-03] [ 5.85337253e-03 9.47048380e-03 1.63980028e-03] [ 5.64837035e-03 5.35602314e-04 -3.20204236e-03] [-5.64837035e-03 -5.35602314e-04 3.20204236e-03] [ 6.67248381e-06 1.85056216e-05 8.97701682e-06] [-6.67248381e-06 -1.85056216e-05 -8.97701682e-06] [-1.81180898e-03 -2.84258455e-04 1.33544603e-03] [ 1.81180898e-03 2.84258455e-04 -1.33544603e-03] [-3.80405332e-06 -7.51826964e-06 -3.92887827e-06] [ 3.80405332e-06 7.51826964e-06 3.92887827e-06] [-4.57652873e-05 -8.58031665e-05 1.17221525e-04] [ 4.57652873e-05 8.58031665e-05 -1.17221525e-04]] stress = [ 1.05831563e-04 7.80341901e-05 4.74085626e-05 3.45162609e-06 -2.88523757e-05 5.98538457e-05] energy per atom = -4.134467950044321 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0