element(s): ['C', 'H', 'N', 'O'] AFLOW prototype label: A3B5C5D_mP56_14_3e_5e_5e_e Parameter names: ['a', 'b/a', 'c/a', 'beta', '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'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.1558', '0.68909564', '0.99381172', '160.5175', '0.38082058', '0.74202712', '0.27146192', '0.3761357', '0.99585319', '0.25986908', '0.31598713', '0.23029427', '0.21298692', '0.27397738', '0.53864954', '0.1729828', '0.98391593', '0.65334022', '0.89996565', '0.073730707', '0.87896142', '0.035117619', '0.70598126', '0.90959751', '0.50251051', '0.68579108', '0.089837642', '0.47660816', '0.19743484', '0.63738403', '0.10422824', '0.25941437', '0.87214114', '0.17290652', '0.22945154', '0.10567803', '0.14958863', '0.36974868', '0.34717986', '0.25268336', '0.61815666', '8.6870087e-05', '0.44072791', '0.63797863', '0.72879812', '0.49659525'] model name: Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'O'] representative atom coordinates = [[6.1917942e-01 7.4202712e-01 1.0935866e-01] [6.2386430e-01 9.9585319e-01 1.1626662e-01] [6.8401287e-01 2.3029427e-01 1.0300021e-01] [7.2602262e-01 5.3864954e-01 1.0099458e-01] [1.6084070e-02 6.5334022e-01 8.3950280e-02] [9.2626929e-01 8.7896142e-01 3.8613088e-02] [2.9401874e-01 9.0959751e-01 2.0347075e-01] [3.1420892e-01 8.9837642e-02 2.0918292e-01] [8.0256516e-01 6.3738403e-01 9.3206600e-02] [7.4058563e-01 8.7214114e-01 8.6507850e-02] [7.7054846e-01 1.0567803e-01 7.9862910e-02] [6.3025132e-01 3.4717986e-01 1.1706532e-01] [3.8184334e-01 8.6870087e-05 1.7742875e-01] [3.6202137e-01 7.2879812e-01 1.4138338e-01]] spacegroup = 14 cell = [[4.7763, 0, 0], [0, 9.7547, 0], [2.1293023734162, 0, 13.906125364118]] ========================================= Step Time Energy fmax BFGS: 0 10:35:48 -256.258134 16.8202 BFGS: 1 10:35:48 -262.743288 16.0400 BFGS: 2 10:35:48 -260.115409 19.6238 BFGS: 3 10:35:48 -261.422195 19.8067 BFGS: 4 10:35:48 -263.259759 16.5773 BFGS: 5 10:35:48 -267.548093 8.5143 BFGS: 6 10:35:49 -266.122732 18.9904 BFGS: 7 10:35:49 -266.959455 16.8255 BFGS: 8 10:35:49 -266.428432 11.8583 BFGS: 9 10:35:49 -267.966085 9.4218 BFGS: 10 10:35:49 -267.023124 13.5377 BFGS: 11 10:35:49 -268.539217 5.4841 BFGS: 12 10:35:49 -267.830480 9.7485 BFGS: 13 10:35:49 -268.523664 8.8240 BFGS: 14 10:35:49 -265.985311 13.0071 BFGS: 15 10:35:49 -267.998204 15.8346 BFGS: 16 10:35:50 -265.676778 15.5534 BFGS: 17 10:35:50 -268.347011 9.8382 BFGS: 18 10:35:50 -266.948491 13.5371 BFGS: 19 10:35:50 -269.178837 21.2117 BFGS: 20 10:35:50 -266.225264 14.2607 BFGS: 21 10:35:51 -268.726453 9.3382 BFGS: 22 10:35:51 -268.677617 16.0267 BFGS: 23 10:35:51 -270.126670 5.3035 BFGS: 24 10:35:51 -270.061736 7.5005 BFGS: 25 10:35:51 -270.495173 3.8216 BFGS: 26 10:35:51 -270.407664 22.3751 BFGS: 27 10:35:52 -270.687439 3.2658 BFGS: 28 10:35:52 -270.803808 3.4141 BFGS: 29 10:35:52 -270.908087 2.5980 BFGS: 30 10:35:52 -271.019067 1.8414 BFGS: 31 10:35:52 -271.071590 1.9764 BFGS: 32 10:35:52 -271.101215 1.8243 BFGS: 33 10:35:52 -271.139190 1.2414 BFGS: 34 10:35:52 -271.209563 2.4102 BFGS: 35 10:35:53 -271.288036 1.5906 BFGS: 36 10:35:53 -271.348552 3.7667 BFGS: 37 10:35:53 -271.401545 2.2175 BFGS: 38 10:35:53 -271.454081 1.4935 BFGS: 39 10:35:53 -271.492342 1.4916 BFGS: 40 10:35:53 -271.534306 1.6140 BFGS: 41 10:35:54 -271.561070 1.7038 BFGS: 42 10:35:54 -271.592774 1.5769 BFGS: 43 10:35:54 -271.616175 0.5340 BFGS: 44 10:35:54 -271.632825 0.4977 BFGS: 45 10:35:54 -271.648772 1.2030 BFGS: 46 10:35:54 -271.657441 1.0123 BFGS: 47 10:35:54 -271.674741 1.5075 BFGS: 48 10:35:54 -271.685569 1.4068 BFGS: 49 10:35:54 -271.704330 1.1470 BFGS: 50 10:35:54 -271.719001 0.9426 BFGS: 51 10:35:54 -271.735823 0.7676 BFGS: 52 10:35:54 -271.745137 0.5592 BFGS: 53 10:35:55 -271.759868 0.3638 BFGS: 54 10:35:55 -271.779566 0.7297 BFGS: 55 10:35:55 -271.798043 0.7686 BFGS: 56 10:35:55 -271.814533 0.4669 BFGS: 57 10:35:55 -271.834210 0.4806 BFGS: 58 10:35:56 -271.852543 0.4306 BFGS: 59 10:35:56 -271.868707 0.4142 BFGS: 60 10:35:56 -271.884980 0.4043 BFGS: 61 10:35:56 -271.899924 0.4062 BFGS: 62 10:35:57 -271.914099 0.4152 BFGS: 63 10:35:57 -271.926975 0.4287 BFGS: 64 10:35:57 -271.933301 0.4552 BFGS: 65 10:35:57 -271.944224 0.4680 BFGS: 66 10:35:57 -271.955225 0.4905 BFGS: 67 10:35:58 -271.964857 0.4955 BFGS: 68 10:35:58 -271.975004 0.5126 BFGS: 69 10:35:58 -271.983873 0.5096 BFGS: 70 10:35:59 -271.994201 0.5128 BFGS: 71 10:35:59 -272.002567 0.5058 BFGS: 72 10:35:59 -272.012079 0.4893 BFGS: 73 10:35:59 -272.020579 0.4777 BFGS: 74 10:35:59 -272.029867 0.4443 BFGS: 75 10:36:00 -272.038729 0.4242 BFGS: 76 10:36:00 -272.048000 0.3784 BFGS: 77 10:36:00 -272.057326 1.1667 BFGS: 78 10:36:01 -272.068188 0.6008 BFGS: 79 10:36:01 -272.076854 0.5939 BFGS: 80 10:36:02 -272.086126 0.4861 BFGS: 81 10:36:02 -272.095231 1.3051 BFGS: 82 10:36:02 -272.105696 0.7829 BFGS: 83 10:36:03 -272.114969 0.4424 BFGS: 84 10:36:03 -272.124118 0.5755 BFGS: 85 10:36:03 -272.135464 0.4219 BFGS: 86 10:36:03 -272.145074 0.3784 BFGS: 87 10:36:04 -272.156078 0.5856 BFGS: 88 10:36:04 -272.165505 0.5071 BFGS: 89 10:36:04 -272.178568 0.8652 BFGS: 90 10:36:05 -272.189335 0.7466 BFGS: 91 10:36:05 -272.203637 1.0579 BFGS: 92 10:36:05 -272.216083 1.0014 BFGS: 93 10:36:05 -272.228897 1.2260 BFGS: 94 10:36:05 -272.243209 1.2270 BFGS: 95 10:36:06 -272.256950 1.3737 BFGS: 96 10:36:06 -272.271553 1.3722 BFGS: 97 10:36:06 -272.286465 1.4262 BFGS: 98 10:36:06 -272.303542 1.3357 BFGS: 99 10:36:06 -272.319907 1.1986 BFGS: 100 10:36:06 -272.340290 0.9501 BFGS: 101 10:36:07 -272.367182 1.0618 BFGS: 102 10:36:07 -272.397338 0.7847 BFGS: 103 10:36:07 -272.416675 1.3354 BFGS: 104 10:36:08 -272.441308 0.9315 BFGS: 105 10:36:08 -272.464691 0.8879 BFGS: 106 10:36:08 -272.478639 0.8793 BFGS: 107 10:36:08 -272.491924 0.8738 BFGS: 108 10:36:08 -272.504604 0.8652 BFGS: 109 10:36:08 -272.516923 0.8571 BFGS: 110 10:36:09 -272.528911 0.8467 BFGS: 111 10:36:09 -272.540639 0.8356 BFGS: 112 10:36:09 -272.554327 0.8581 BFGS: 113 10:36:09 -272.567882 0.8214 BFGS: 114 10:36:09 -272.580325 0.7938 BFGS: 115 10:36:09 -272.593943 0.7931 BFGS: 116 10:36:09 -272.605015 0.7796 BFGS: 117 10:36:09 -272.615463 0.7283 BFGS: 118 10:36:09 -272.625525 0.6873 BFGS: 119 10:36:09 -272.639335 0.6414 BFGS: 120 10:36:10 -272.648452 0.5957 BFGS: 121 10:36:10 -272.657098 0.5515 BFGS: 122 10:36:10 -272.665432 0.5029 BFGS: 123 10:36:10 -272.672994 0.4865 BFGS: 124 10:36:10 -272.680432 0.4408 BFGS: 125 10:36:10 -272.687283 0.4300 BFGS: 126 10:36:10 -272.696155 0.4104 BFGS: 127 10:36:10 -272.702255 0.3972 BFGS: 128 10:36:11 -272.708070 0.4423 BFGS: 129 10:36:11 -272.713403 0.4478 BFGS: 130 10:36:11 -272.718512 0.4940 BFGS: 131 10:36:11 -272.723185 0.4966 BFGS: 132 10:36:11 -272.727677 0.5442 BFGS: 133 10:36:11 -272.733706 0.5425 BFGS: 134 10:36:11 -272.737699 0.5920 BFGS: 135 10:36:12 -272.741377 0.5872 BFGS: 136 10:36:12 -272.745026 0.6386 BFGS: 137 10:36:12 -272.748537 0.6286 BFGS: 138 10:36:12 -272.752058 0.6819 BFGS: 139 10:36:12 -272.755527 0.6684 BFGS: 140 10:36:12 -272.759992 0.7205 BFGS: 141 10:36:12 -272.762055 0.7202 BFGS: 142 10:36:13 -272.766773 0.7728 BFGS: 143 10:36:13 -272.772249 0.7780 BFGS: 144 10:36:13 -272.775912 0.8288 BFGS: 145 10:36:13 -272.782165 0.8357 BFGS: 146 10:36:13 -272.791542 0.8840 BFGS: 147 10:36:14 -272.799875 0.8970 BFGS: 148 10:36:14 -272.809625 0.9459 BFGS: 149 10:36:14 -272.820381 0.9624 BFGS: 150 10:36:14 -272.832559 1.0074 BFGS: 151 10:36:14 -272.845587 1.0225 BFGS: 152 10:36:14 -272.859116 1.0571 BFGS: 153 10:36:14 -272.874805 1.0679 BFGS: 154 10:36:15 -272.889275 1.0904 BFGS: 155 10:36:15 -272.903667 1.0899 BFGS: 156 10:36:15 -272.918227 1.0963 BFGS: 157 10:36:15 -272.932170 1.1098 BFGS: 158 10:36:15 -272.945643 1.1277 BFGS: 159 10:36:15 -272.958533 1.1379 BFGS: 160 10:36:16 -272.973368 1.1438 BFGS: 161 10:36:16 -272.985478 1.1438 BFGS: 162 10:36:16 -272.996951 1.1431 BFGS: 163 10:36:16 -273.008197 1.1358 BFGS: 164 10:36:17 -273.019336 1.1286 BFGS: 165 10:36:17 -273.032913 1.1194 BFGS: 166 10:36:18 -273.043837 1.1092 BFGS: 167 10:36:18 -273.056500 1.1039 BFGS: 168 10:36:19 -273.069669 1.1013 BFGS: 169 10:36:19 -273.079630 1.0969 BFGS: 170 10:36:19 -273.089424 1.1037 BFGS: 171 10:36:20 -273.099030 1.1070 BFGS: 172 10:36:20 -273.108453 1.1190 BFGS: 173 10:36:20 -273.117681 1.1290 BFGS: 174 10:36:21 -273.126722 1.1462 BFGS: 175 10:36:21 -273.137052 1.1648 BFGS: 176 10:36:21 -273.148827 1.2740 BFGS: 177 10:36:22 -273.158609 1.2957 BFGS: 178 10:36:22 -273.169810 1.3358 BFGS: 179 10:36:22 -273.178373 1.3622 BFGS: 180 10:36:23 -273.186841 1.3934 BFGS: 181 10:36:23 -273.195527 1.4268 BFGS: 182 10:36:23 -273.204401 1.4507 BFGS: 183 10:36:24 -273.213560 1.4773 BFGS: 184 10:36:24 -273.223210 1.4879 BFGS: 185 10:36:24 -273.236044 1.5044 BFGS: 186 10:36:25 -273.246466 1.4914 BFGS: 187 10:36:25 -273.257414 1.5002 BFGS: 188 10:36:25 -273.269210 1.4549 BFGS: 189 10:36:25 -273.281945 1.4637 BFGS: 190 10:36:26 -273.295232 1.3725 BFGS: 191 10:36:26 -273.317217 1.4121 BFGS: 192 10:36:27 -273.327352 1.2737 BFGS: 193 10:36:27 -273.336698 1.3296 BFGS: 194 10:36:27 -273.349080 1.2382 BFGS: 195 10:36:28 -273.349213 1.2430 BFGS: 196 10:36:28 -273.358853 1.2768 BFGS: 197 10:36:29 -273.369096 1.2571 BFGS: 198 10:36:29 -273.379974 1.2212 BFGS: 199 10:36:29 -273.391709 1.1819 BFGS: 200 10:36:30 -273.402265 1.1270 BFGS: 201 10:36:30 -273.415773 1.0625 BFGS: 202 10:36:30 -273.436859 0.9703 BFGS: 203 10:36:30 -273.456896 0.8678 BFGS: 204 10:36:31 -273.471470 0.8520 BFGS: 205 10:36:31 -273.489028 0.8148 BFGS: 206 10:36:31 -273.503991 0.7974 BFGS: 207 10:36:31 -273.518654 0.7808 BFGS: 208 10:36:31 -273.534099 0.7678 BFGS: 209 10:36:31 -273.549445 0.7639 BFGS: 210 10:36:31 -273.562509 0.7502 BFGS: 211 10:36:31 -273.574969 0.7486 BFGS: 212 10:36:32 -273.591215 0.7523 BFGS: 213 10:36:32 -273.602519 0.7530 BFGS: 214 10:36:33 -273.613381 0.7525 BFGS: 215 10:36:33 -273.623952 0.7535 BFGS: 216 10:36:34 -273.631210 0.8248 BFGS: 217 10:36:34 -273.656995 0.8541 BFGS: 218 10:36:35 -273.676348 0.8913 BFGS: 219 10:36:35 -273.689632 0.8745 BFGS: 220 10:36:35 -273.709039 0.9004 BFGS: 221 10:36:36 -273.724300 0.9107 BFGS: 222 10:36:36 -273.745085 0.6170 BFGS: 223 10:36:36 -273.756321 0.6134 BFGS: 224 10:36:37 -273.770306 0.8950 BFGS: 225 10:36:37 -273.784191 0.5732 BFGS: 226 10:36:37 -273.795340 0.5552 BFGS: 227 10:36:37 -273.814074 0.5306 BFGS: 228 10:36:37 -273.825518 0.5080 BFGS: 229 10:36:37 -273.836799 0.4775 BFGS: 230 10:36:37 -273.850991 0.4460 BFGS: 231 10:36:38 -273.873261 0.3804 BFGS: 232 10:36:38 -273.888855 0.5814 BFGS: 233 10:36:38 -273.903557 0.6042 BFGS: 234 10:36:38 -273.990459 0.5881 BFGS: 235 10:36:38 -274.002837 1.1531 BFGS: 236 10:36:38 -274.024704 1.0390 BFGS: 237 10:36:38 -274.048663 1.0699 BFGS: 238 10:36:38 -274.063797 0.8315 BFGS: 239 10:36:38 -274.093260 0.7278 BFGS: 240 10:36:39 -274.123236 0.3952 BFGS: 241 10:36:39 -274.144910 0.8144 BFGS: 242 10:36:39 -274.164175 0.6544 BFGS: 243 10:36:39 -274.175109 0.8181 BFGS: 244 10:36:39 -274.191408 0.9742 BFGS: 245 10:36:39 -274.208988 0.7924 BFGS: 246 10:36:39 -274.216690 0.8582 BFGS: 247 10:36:40 -274.229668 0.3865 BFGS: 248 10:36:40 -274.251297 0.4034 BFGS: 249 10:36:40 -274.264653 0.4611 BFGS: 250 10:36:40 -274.282258 0.4826 BFGS: 251 10:36:41 -274.294290 0.5056 BFGS: 252 10:36:41 -274.313463 0.4941 BFGS: 253 10:36:41 -274.317205 0.3532 BFGS: 254 10:36:41 -274.323457 0.5254 BFGS: 255 10:36:42 -274.334498 0.8568 BFGS: 256 10:36:42 -274.339745 0.7716 BFGS: 257 10:36:42 -274.352024 0.7705 BFGS: 258 10:36:42 -274.366871 0.7794 BFGS: 259 10:36:43 -274.391747 1.0395 BFGS: 260 10:36:43 -274.402796 0.9789 BFGS: 261 10:36:43 -274.425286 0.7948 BFGS: 262 10:36:43 -274.441280 0.8574 BFGS: 263 10:36:43 -274.457413 0.7754 BFGS: 264 10:36:43 -274.472021 0.7259 BFGS: 265 10:36:43 -274.484393 0.8444 BFGS: 266 10:36:43 -274.492883 0.8541 BFGS: 267 10:36:44 -274.502370 0.9249 BFGS: 268 10:36:44 -274.509851 0.9535 BFGS: 269 10:36:44 -274.519059 0.9754 BFGS: 270 10:36:44 -274.529127 0.9561 BFGS: 271 10:36:44 -274.540553 0.9361 BFGS: 272 10:36:44 -274.551356 0.9169 BFGS: 273 10:36:44 -274.564598 0.9770 BFGS: 274 10:36:44 -274.577639 0.9203 BFGS: 275 10:36:45 -274.586704 0.9734 BFGS: 276 10:36:45 -274.592422 0.9816 BFGS: 277 10:36:45 -274.610405 0.9773 BFGS: 278 10:36:45 -274.617952 0.9708 BFGS: 279 10:36:45 -274.631462 0.9862 BFGS: 280 10:36:45 -274.640457 0.9255 BFGS: 281 10:36:46 -274.651196 0.8893 BFGS: 282 10:36:46 -274.661021 0.8627 BFGS: 283 10:36:46 -274.670836 0.8277 BFGS: 284 10:36:46 -274.679895 0.7956 BFGS: 285 10:36:47 -274.688750 0.7597 BFGS: 286 10:36:47 -274.696803 0.7285 BFGS: 287 10:36:47 -274.704328 0.6919 BFGS: 288 10:36:48 -274.711543 0.6517 BFGS: 289 10:36:48 -274.718192 0.6048 BFGS: 290 10:36:48 -274.722302 0.5959 BFGS: 291 10:36:49 -274.727877 0.5321 BFGS: 292 10:36:49 -274.733629 0.6222 BFGS: 293 10:36:49 -274.741157 0.4942 BFGS: 294 10:36:50 -274.749053 0.6302 BFGS: 295 10:36:50 -274.755290 0.3643 BFGS: 296 10:36:51 -274.763008 0.6035 BFGS: 297 10:36:51 -274.771796 0.3894 BFGS: 298 10:36:52 -274.783069 0.4665 BFGS: 299 10:36:52 -274.795580 0.5514 BFGS: 300 10:36:52 -274.805234 0.8076 BFGS: 301 10:36:53 -274.814449 0.7331 BFGS: 302 10:36:53 -274.822813 0.6884 BFGS: 303 10:36:53 -274.832339 0.6630 BFGS: 304 10:36:54 -274.840854 0.6417 BFGS: 305 10:36:54 -274.848856 0.6237 BFGS: 306 10:36:55 -274.858393 0.6105 BFGS: 307 10:36:55 -274.864883 0.5993 BFGS: 308 10:36:56 -274.875669 0.5894 BFGS: 309 10:36:56 -274.882074 0.5848 BFGS: 310 10:36:57 -274.888640 0.5793 BFGS: 311 10:36:57 -274.897062 0.5750 BFGS: 312 10:36:57 -274.903635 0.5733 BFGS: 313 10:36:58 -274.909359 0.5724 BFGS: 314 10:36:58 -274.914756 0.5681 BFGS: 315 10:36:58 -274.919273 0.5693 BFGS: 316 10:36:59 -274.923862 0.5693 BFGS: 317 10:36:59 -274.927602 0.5734 BFGS: 318 10:36:59 -274.931424 0.5771 BFGS: 319 10:37:00 -274.936414 0.5841 BFGS: 320 10:37:00 -274.939211 0.5925 BFGS: 321 10:37:00 -274.941856 0.6025 BFGS: 322 10:37:01 -274.944492 0.6124 BFGS: 323 10:37:01 -274.955528 0.6240 BFGS: 324 10:37:02 -274.957820 0.6360 BFGS: 325 10:37:02 -274.960240 0.6485 BFGS: 326 10:37:02 -274.962937 0.6607 BFGS: 327 10:37:03 -274.965184 0.6722 BFGS: 328 10:37:03 -274.967481 0.6835 BFGS: 329 10:37:03 -274.979120 0.6871 BFGS: 330 10:37:04 -274.984145 0.7021 BFGS: 331 10:37:04 -274.991501 0.6765 BFGS: 332 10:37:04 -274.997875 0.7574 BFGS: 333 10:37:05 -275.005924 0.5989 BFGS: 334 10:37:05 -275.003785 0.9481 BFGS: 335 10:37:05 -275.008779 0.5026 BFGS: 336 10:37:06 -275.012235 0.4774 BFGS: 337 10:37:06 -275.013424 0.4588 BFGS: 338 10:37:06 -275.016310 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11:11:36 -275.183561 0.0342 BFGS: 8393 11:11:36 -275.179310 0.0134 BFGS: 8394 11:11:36 -275.178778 0.0086 BFGS: 8395 11:11:37 -275.183638 0.0315 BFGS: 8396 11:11:37 -275.178784 0.0082 BFGS: 8397 11:11:37 -275.178788 0.0079 BFGS: 8398 11:11:37 -275.183471 0.0366 BFGS: 8399 11:11:37 -275.178793 0.0073 BFGS: 8400 11:11:37 -275.178797 0.0068 BFGS: 8401 11:11:38 -275.183472 0.0366 BFGS: 8402 11:11:38 -275.183657 0.0307 BFGS: 8403 11:11:38 -275.184402 0.0224 BFGS: 8404 11:11:39 -275.179261 0.0170 BFGS: 8405 11:11:39 -275.183562 0.0343 BFGS: 8406 11:11:39 -275.179310 0.0135 BFGS: 8407 11:11:40 -275.178778 0.0087 BFGS: 8408 11:11:40 -275.183638 0.0316 BFGS: 8409 11:11:40 -275.178784 0.0082 BFGS: 8410 11:11:41 -275.178788 0.0079 BFGS: 8411 11:11:41 -275.183471 0.0366 BFGS: 8412 11:11:41 -275.178793 0.0072 BFGS: 8413 11:11:41 -275.178797 0.0067 BFGS: 8414 11:11:41 -275.181970 0.3216 BFGS: 8415 11:11:42 -275.183658 0.0306 BFGS: 8416 11:11:42 -275.184400 0.0225 BFGS: 8417 11:11:42 -275.179260 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11:12:17 -275.183657 0.0307 BFGS: 8546 11:12:18 -275.184401 0.0224 BFGS: 8547 11:12:18 -275.179260 0.0171 BFGS: 8548 11:12:18 -275.183560 0.0343 BFGS: 8549 11:12:18 -275.179310 0.0134 BFGS: 8550 11:12:19 -275.178778 0.0087 BFGS: 8551 11:12:19 -275.183637 0.0316 BFGS: 8552 11:12:19 -275.178784 0.0082 BFGS: 8553 11:12:20 -275.178788 0.0078 BFGS: 8554 11:12:20 -275.181970 0.3213 BFGS: 8555 11:12:20 -275.178793 0.0072 BFGS: 8556 11:12:21 -275.178797 0.0068 BFGS: 8557 11:12:21 -275.183472 0.0366 BFGS: 8558 11:12:21 -275.183658 0.0306 BFGS: 8559 11:12:21 -275.184400 0.0224 BFGS: 8560 11:12:22 -275.179260 0.0171 BFGS: 8561 11:12:22 -275.183560 0.0344 BFGS: 8562 11:12:22 -275.179310 0.0134 BFGS: 8563 11:12:23 -275.178778 0.0087 BFGS: 8564 11:12:23 -275.183637 0.0316 BFGS: 8565 11:12:23 -275.178784 0.0082 BFGS: 8566 11:12:24 -275.178788 0.0078 BFGS: 8567 11:12:24 -275.183471 0.0366 BFGS: 8568 11:12:24 -275.178794 0.0072 BFGS: 8569 11:12:24 -275.178797 0.0067 BFGS: 8570 11:12:25 -275.181970 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11:13:01 -275.181970 0.3213 BFGS: 8750 11:13:01 -275.178794 0.0072 BFGS: 8751 11:13:01 -275.178797 0.0068 BFGS: 8752 11:13:01 -275.183471 0.0366 BFGS: 8753 11:13:02 -275.183658 0.0306 BFGS: 8754 11:13:02 -275.184399 0.0224 BFGS: 8755 11:13:02 -275.179260 0.0171 BFGS: 8756 11:13:02 -275.183557 0.0344 BFGS: 8757 11:13:03 -275.179310 0.0133 BFGS: 8758 11:13:03 -275.178778 0.0087 BFGS: 8759 11:13:03 -275.183634 0.0318 BFGS: 8760 11:13:04 -275.178784 0.0082 BFGS: 8761 11:13:04 -275.178788 0.0078 BFGS: 8762 11:13:04 -275.183471 0.0366 BFGS: 8763 11:13:05 -275.178794 0.0072 BFGS: 8764 11:13:05 -275.178797 0.0067 BFGS: 8765 11:13:05 -275.181970 0.3217 BFGS: 8766 11:13:06 -275.183657 0.0306 BFGS: 8767 11:13:06 -275.184398 0.0224 BFGS: 8768 11:13:06 -275.179260 0.0170 BFGS: 8769 11:13:06 -275.183557 0.0343 BFGS: 8770 11:13:07 -275.179310 0.0132 BFGS: 8771 11:13:07 -275.178778 0.0086 BFGS: 8772 11:13:07 -275.183634 0.0318 BFGS: 8773 11:13:07 -275.178784 0.0082 BFGS: 8774 11:13:08 -275.178788 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11:16:36 -275.183604 0.0325 BFGS: 9617 11:16:36 -275.178754 0.0119 BFGS: 9618 11:16:36 -275.178772 0.0097 BFGS: 9619 11:16:36 -275.183499 0.0357 BFGS: 9620 11:16:37 -275.178786 0.0079 BFGS: 9621 11:16:37 -275.178794 0.0067 BFGS: 9622 11:16:37 -275.181985 0.3246 BFGS: 9623 11:16:37 -275.178799 0.0060 BFGS: 9624 11:16:37 -275.183667 0.0299 BFGS: 9625 11:16:37 -275.178799 0.0061 BFGS: 9626 11:16:37 -275.178799 0.0061 BFGS: 9627 11:16:37 -275.183478 0.0358 BFGS: 9628 11:16:38 -275.183661 0.0305 BFGS: 9629 11:16:38 -275.184381 0.0242 BFGS: 9630 11:16:38 -275.179273 0.0132 BFGS: 9631 11:16:39 -275.183585 0.0330 BFGS: 9632 11:16:39 -275.178764 0.0103 BFGS: 9633 11:16:39 -275.178777 0.0088 BFGS: 9634 11:16:40 -275.183479 0.0358 BFGS: 9635 11:16:40 -275.178785 0.0080 BFGS: 9636 11:16:40 -275.178790 0.0079 BFGS: 9637 11:16:41 -275.183471 0.0363 BFGS: 9638 11:16:41 -275.178793 0.0075 BFGS: 9639 11:16:41 -275.183665 0.0281 BFGS: 9640 11:16:42 -275.178794 0.0074 BFGS: 9641 11:16:42 -275.178794 0.0072 BFGS: 9642 11:16:42 -275.183497 0.0351 BFGS: 9643 11:16:42 -275.183663 0.0301 BFGS: 9644 11:16:43 -275.184400 0.0293 BFGS: 9645 11:16:43 -275.179257 0.0208 BFGS: 9646 11:16:43 -275.183609 0.0322 BFGS: 9647 11:16:43 -275.178754 0.0119 BFGS: 9648 11:16:44 -275.178772 0.0097 BFGS: 9649 11:16:44 -275.183509 0.0351 BFGS: 9650 11:16:45 -275.178786 0.0079 BFGS: 9651 11:16:45 -275.178794 0.0067 BFGS: 9652 11:16:45 -275.181993 0.3246 BFGS: 9653 11:16:45 -275.178799 0.0060 BFGS: 9654 11:16:46 -275.183669 0.0295 BFGS: 9655 11:16:46 -275.178799 0.0061 BFGS: 9656 11:16:46 -275.178799 0.0061 BFGS: 9657 11:16:47 -275.183482 0.0360 BFGS: 9658 11:16:47 -275.183662 0.0304 BFGS: 9659 11:16:47 -275.184380 0.0245 BFGS: 9660 11:16:48 -275.179274 0.0138 BFGS: 9661 11:16:48 -275.183589 0.0332 BFGS: 9662 11:16:48 -275.178764 0.0105 BFGS: 9663 11:16:49 -275.178777 0.0089 BFGS: 9664 11:16:49 -275.183485 0.0362 BFGS: 9665 11:16:49 -275.178785 0.0081 BFGS: 9666 11:16:49 -275.178790 0.0080 BFGS: 9667 11:16:50 -275.183474 0.0366 BFGS: 9668 11:16:50 -275.178793 0.0077 BFGS: 9669 11:16:50 -275.178795 0.0074 BFGS: 9670 11:16:50 -275.181960 0.3202 BFGS: 9671 11:16:50 -275.183648 0.0312 BFGS: 9672 11:16:51 -275.184396 0.0234 BFGS: 9673 11:16:51 -275.179265 0.0160 BFGS: 9674 11:16:51 -275.183588 0.0331 BFGS: 9675 11:16:51 -275.178757 0.0102 BFGS: 9676 11:16:51 -275.178772 0.0092 BFGS: 9677 11:16:51 -275.181959 0.3202 BFGS: 9678 11:16:52 -275.178784 0.0084 BFGS: 9679 11:16:52 -275.178790 0.0078 BFGS: 9680 11:16:52 -275.181959 0.3208 BFGS: 9681 11:16:52 -275.178795 0.0072 BFGS: 9682 11:16:52 -275.183663 0.0299 BFGS: 9683 11:16:52 -275.178795 0.0071 BFGS: 9684 11:16:52 -275.178796 0.0070 BFGS: 9685 11:16:52 -275.181987 0.3245 BFGS: 9686 11:16:53 -275.183661 0.0304 BFGS: 9687 11:16:53 -275.184400 0.0281 BFGS: 9688 11:16:53 -275.179258 0.0203 BFGS: 9689 11:16:53 -275.183608 0.0323 BFGS: 9690 11:16:53 -275.178754 0.0117 BFGS: 9691 11:16:53 -275.178772 0.0097 BFGS: 9692 11:16:54 -275.181996 0.3249 BFGS: 9693 11:16:54 -275.178786 0.0080 BFGS: 9694 11:16:54 -275.178794 0.0069 BFGS: 9695 11:16:54 -275.181985 0.3242 BFGS: 9696 11:16:54 -275.178799 0.0062 BFGS: 9697 11:16:54 -275.183669 0.0296 BFGS: 9698 11:16:54 -275.178799 0.0062 BFGS: 9699 11:16:55 -275.178799 0.0062 BFGS: 9700 11:16:55 -275.181972 0.3196 BFGS: 9701 11:16:55 -275.183662 0.0303 BFGS: 9702 11:16:55 -275.184408 0.0237 BFGS: 9703 11:16:56 -275.179276 0.0131 BFGS: 9704 11:16:56 -275.183594 0.0328 BFGS: 9705 11:16:57 -275.178764 0.0103 BFGS: 9706 11:16:57 -275.178777 0.0088 BFGS: 9707 11:16:57 -275.183474 0.0363 BFGS: 9708 11:16:58 -275.178786 0.0080 BFGS: 9709 11:16:58 -275.178790 0.0078 BFGS: 9710 11:16:58 -275.181966 0.3190 BFGS: 9711 11:16:58 -275.178794 0.0074 BFGS: 9712 11:16:58 -275.183665 0.0292 BFGS: 9713 11:16:59 -275.178794 0.0073 BFGS: 9714 11:16:59 -275.178795 0.0072 BFGS: 9715 11:16:59 -275.181990 0.3248 BFGS: 9716 11:16:59 -275.183662 0.0301 BFGS: 9717 11:16:59 -275.184396 0.0291 BFGS: 9718 11:16:59 -275.179257 0.0207 BFGS: 9719 11:16:59 -275.183609 0.0319 BFGS: 9720 11:16:59 -275.178753 0.0119 BFGS: 9721 11:17:00 -275.178772 0.0097 BFGS: 9722 11:17:00 -275.183503 0.0349 BFGS: 9723 11:17:00 -275.178786 0.0079 BFGS: 9724 11:17:00 -275.178794 0.0067 BFGS: 9725 11:17:00 -275.181988 0.3245 BFGS: 9726 11:17:00 -275.178799 0.0061 BFGS: 9727 11:17:00 -275.183669 0.0296 BFGS: 9728 11:17:00 -275.178799 0.0061 BFGS: 9729 11:17:00 -275.178799 0.0061 BFGS: 9730 11:17:01 -275.183478 0.0364 BFGS: 9731 11:17:01 -275.183662 0.0304 BFGS: 9732 11:17:01 -275.184385 0.0244 BFGS: 9733 11:17:01 -275.179273 0.0141 BFGS: 9734 11:17:02 -275.183594 0.0332 BFGS: 9735 11:17:02 -275.178763 0.0106 BFGS: 9736 11:17:02 -275.178777 0.0090 BFGS: 9737 11:17:03 -275.183481 0.0367 BFGS: 9738 11:17:03 -275.178785 0.0081 BFGS: 9739 11:17:03 -275.178790 0.0080 BFGS: 9740 11:17:04 -275.181970 0.3182 BFGS: 9741 11:17:04 -275.178793 0.0077 BFGS: 9742 11:17:04 -275.178796 0.0074 BFGS: 9743 11:17:04 -275.181959 0.3202 BFGS: 9744 11:17:04 -275.183648 0.0313 BFGS: 9745 11:17:04 -275.184396 0.0234 BFGS: 9746 11:17:04 -275.179265 0.0160 BFGS: 9747 11:17:04 -275.183593 0.0331 BFGS: 9748 11:17:05 -275.178757 0.0102 BFGS: 9749 11:17:05 -275.178772 0.0092 BFGS: 9750 11:17:05 -275.181958 0.3201 BFGS: 9751 11:17:05 -275.178784 0.0084 BFGS: 9752 11:17:05 -275.178790 0.0078 BFGS: 9753 11:17:05 -275.181958 0.3207 BFGS: 9754 11:17:05 -275.178795 0.0072 BFGS: 9755 11:17:05 -275.183663 0.0299 BFGS: 9756 11:17:06 -275.178795 0.0071 BFGS: 9757 11:17:06 -275.178796 0.0070 BFGS: 9758 11:17:06 -275.181983 0.3246 BFGS: 9759 11:17:06 -275.183661 0.0304 BFGS: 9760 11:17:06 -275.184399 0.0280 BFGS: 9761 11:17:07 -275.179259 0.0203 BFGS: 9762 11:17:07 -275.183610 0.0321 BFGS: 9763 11:17:07 -275.178754 0.0118 BFGS: 9764 11:17:07 -275.178772 0.0097 BFGS: 9765 11:17:08 -275.181991 0.3250 BFGS: 9766 11:17:08 -275.178785 0.0080 BFGS: 9767 11:17:08 -275.178794 0.0069 BFGS: 9768 11:17:09 -275.181981 0.3242 BFGS: 9769 11:17:09 -275.178798 0.0062 BFGS: 9770 11:17:09 -275.183668 0.0296 BFGS: 9771 11:17:09 -275.178799 0.0062 BFGS: 9772 11:17:10 -275.178799 0.0062 BFGS: 9773 11:17:10 -275.181968 0.3196 BFGS: 9774 11:17:10 -275.183662 0.0304 BFGS: 9775 11:17:10 -275.184395 0.0238 BFGS: 9776 11:17:11 -275.179273 0.0135 BFGS: 9777 11:17:11 -275.183595 0.0329 BFGS: 9778 11:17:11 -275.178762 0.0105 BFGS: 9779 11:17:11 -275.178776 0.0089 BFGS: 9780 11:17:12 -275.183471 0.0366 BFGS: 9781 11:17:12 -275.178785 0.0080 BFGS: 9782 11:17:12 -275.178791 0.0078 BFGS: 9783 11:17:12 -275.181964 0.3190 BFGS: 9784 11:17:13 -275.178794 0.0074 BFGS: 9785 11:17:13 -275.183665 0.0295 BFGS: 9786 11:17:13 -275.178795 0.0073 BFGS: 9787 11:17:13 -275.178795 0.0071 BFGS: 9788 11:17:14 -275.181984 0.3248 BFGS: 9789 11:17:14 -275.183662 0.0302 BFGS: 9790 11:17:14 -275.184395 0.0289 BFGS: 9791 11:17:15 -275.179258 0.0206 BFGS: 9792 11:17:15 -275.183611 0.0318 BFGS: 9793 11:17:15 -275.178753 0.0119 BFGS: 9794 11:17:15 -275.178771 0.0098 BFGS: 9795 11:17:16 -275.183496 0.0349 BFGS: 9796 11:17:16 -275.178786 0.0079 BFGS: 9797 11:17:16 -275.178794 0.0067 BFGS: 9798 11:17:16 -275.181983 0.3245 BFGS: 9799 11:17:17 -275.178799 0.0060 BFGS: 9800 11:17:17 -275.183668 0.0296 BFGS: 9801 11:17:18 -275.178799 0.0061 BFGS: 9802 11:17:18 -275.178799 0.0061 BFGS: 9803 11:17:18 -275.183474 0.0367 BFGS: 9804 11:17:19 -275.183661 0.0305 BFGS: 9805 11:17:19 -275.184388 0.0241 BFGS: 9806 11:17:19 -275.179272 0.0143 BFGS: 9807 11:17:19 -275.183598 0.0333 BFGS: 9808 11:17:20 -275.178762 0.0108 BFGS: 9809 11:17:20 -275.178776 0.0091 BFGS: 9810 11:17:20 -275.183476 0.0371 BFGS: 9811 11:17:20 -275.178785 0.0081 BFGS: 9812 11:17:21 -275.178791 0.0080 BFGS: 9813 11:17:21 -275.181966 0.3182 BFGS: 9814 11:17:21 -275.178794 0.0076 BFGS: 9815 11:17:21 -275.183666 0.0289 BFGS: 9816 11:17:22 -275.178795 0.0074 BFGS: 9817 11:17:22 -275.178795 0.0073 BFGS: 9818 11:17:22 -275.183489 0.0343 BFGS: 9819 11:17:22 -275.183662 0.0302 BFGS: 9820 11:17:22 -275.184389 0.0323 BFGS: 9821 11:17:23 -275.179258 0.0222 BFGS: 9822 11:17:23 -275.183612 0.0313 BFGS: 9823 11:17:23 -275.178753 0.0127 BFGS: 9824 11:17:23 -275.178771 0.0100 BFGS: 9825 11:17:23 -275.183499 0.0340 BFGS: 9826 11:17:23 -275.178785 0.0079 BFGS: 9827 11:17:24 -275.178793 0.0066 BFGS: 9828 11:17:24 -275.181985 0.3257 BFGS: 9829 11:17:24 -275.178798 0.0059 BFGS: 9830 11:17:25 -275.183669 0.0292 BFGS: 9831 11:17:25 -275.178798 0.0058 BFGS: 9832 11:17:25 -275.178799 0.0059 BFGS: 9833 11:17:25 -275.183482 0.0375 BFGS: 9834 11:17:25 -275.183662 0.0304 BFGS: 9835 11:17:26 -275.184393 0.0244 BFGS: 9836 11:17:26 -275.179272 0.0154 BFGS: 9837 11:17:26 -275.183606 0.0338 BFGS: 9838 11:17:27 -275.178762 0.0112 BFGS: 9839 11:17:27 -275.178776 0.0092 BFGS: 9840 11:17:27 -275.183486 0.0381 BFGS: 9841 11:17:27 -275.178786 0.0082 BFGS: 9842 11:17:28 -275.178791 0.0084 BFGS: 9843 11:17:28 -275.183473 0.0380 BFGS: 9844 11:17:28 -275.178795 0.0081 BFGS: 9845 11:17:29 -275.183666 0.0295 BFGS: 9846 11:17:29 -275.178795 0.0078 BFGS: 9847 11:17:29 -275.178795 0.0076 BFGS: 9848 11:17:29 -275.183496 0.0330 BFGS: 9849 11:17:30 -275.183663 0.0301 BFGS: 9850 11:17:30 -275.184367 0.0403 BFGS: 9851 11:17:30 -275.179257 0.0256 BFGS: 9852 11:17:31 -275.183609 0.0304 BFGS: 9853 11:17:31 -275.178753 0.0143 BFGS: 9854 11:17:31 -275.178771 0.0107 BFGS: 9855 11:17:32 -275.183504 0.0323 BFGS: 9856 11:17:32 -275.178784 0.0079 BFGS: 9857 11:17:32 -275.178792 0.0070 BFGS: 9858 11:17:33 -275.181987 0.3278 BFGS: 9859 11:17:33 -275.178797 0.0063 BFGS: 9860 11:17:33 -275.178800 0.0059 BFGS: 9861 11:17:33 -275.181969 0.3248 BFGS: 9862 11:17:33 -275.183652 0.0305 BFGS: 9863 11:17:34 -275.184407 0.0229 BFGS: 9864 11:17:34 -275.179265 0.0170 BFGS: 9865 11:17:34 -275.183611 0.0320 BFGS: 9866 11:17:35 -275.178756 0.0101 BFGS: 9867 11:17:35 -275.178773 0.0089 BFGS: 9868 11:17:35 -275.181968 0.3231 BFGS: 9869 11:17:35 -275.178786 0.0075 BFGS: 9870 11:17:36 -275.178794 0.0068 BFGS: 9871 11:17:36 -275.181964 0.3223 BFGS: 9872 11:17:36 -275.178798 0.0063 BFGS: 9873 11:17:36 -275.183665 0.0299 BFGS: 9874 11:17:37 -275.178798 0.0063 BFGS: 9875 11:17:37 -275.178799 0.0063 BFGS: 9876 11:17:37 -275.181966 0.3194 BFGS: 9877 11:17:38 -275.183660 0.0306 BFGS: 9878 11:17:38 -275.184383 0.0234 BFGS: 9879 11:17:38 -275.179269 0.0145 BFGS: 9880 11:17:38 -275.183599 0.0332 BFGS: 9881 11:17:39 -275.178760 0.0110 BFGS: 9882 11:17:39 -275.178774 0.0092 BFGS: 9883 11:17:39 -275.181966 0.3178 BFGS: 9884 11:17:40 -275.178785 0.0082 BFGS: 9885 11:17:40 -275.178790 0.0079 BFGS: 9886 11:17:40 -275.181962 0.3189 BFGS: 9887 11:17:41 -275.178794 0.0076 BFGS: 9888 11:17:41 -275.183666 0.0292 BFGS: 9889 11:17:41 -275.178795 0.0074 BFGS: 9890 11:17:41 -275.178795 0.0072 BFGS: 9891 11:17:41 -275.181979 0.3254 BFGS: 9892 11:17:41 -275.183663 0.0302 BFGS: 9893 11:17:42 -275.184395 0.0298 BFGS: 9894 11:17:42 -275.179259 0.0211 BFGS: 9895 11:17:42 -275.183614 0.0312 BFGS: 9896 11:17:42 -275.178753 0.0123 BFGS: 9897 11:17:42 -275.178771 0.0100 BFGS: 9898 11:17:42 -275.181987 0.3263 BFGS: 9899 11:17:43 -275.178785 0.0080 BFGS: 9900 11:17:43 -275.178793 0.0068 BFGS: 9901 11:17:43 -275.181978 0.3250 BFGS: 9902 11:17:43 -275.178798 0.0060 BFGS: 9903 11:17:43 -275.183668 0.0293 BFGS: 9904 11:17:44 -275.178798 0.0060 BFGS: 9905 11:17:44 -275.178799 0.0060 BFGS: 9906 11:17:44 -275.181969 0.3183 BFGS: 9907 11:17:44 -275.183662 0.0303 BFGS: 9908 11:17:44 -275.184386 0.0243 BFGS: 9909 11:17:44 -275.179270 0.0156 BFGS: 9910 11:17:44 -275.183603 0.0337 BFGS: 9911 11:17:44 -275.178760 0.0115 BFGS: 9912 11:17:45 -275.178774 0.0094 BFGS: 9913 11:17:45 -275.183471 0.0386 BFGS: 9914 11:17:45 -275.178785 0.0081 BFGS: 9915 11:17:45 -275.178791 0.0081 BFGS: 9916 11:17:45 -275.181963 0.3177 BFGS: 9917 11:17:45 -275.178795 0.0078 BFGS: 9918 11:17:45 -275.183665 0.0299 BFGS: 9919 11:17:45 -275.178795 0.0076 BFGS: 9920 11:17:46 -275.178796 0.0074 BFGS: 9921 11:17:46 -275.181985 0.3268 BFGS: 9922 11:17:46 -275.183662 0.0302 BFGS: 9923 11:17:46 -275.184386 0.0340 BFGS: 9924 11:17:46 -275.179259 0.0231 BFGS: 9925 11:17:46 -275.183616 0.0303 BFGS: 9926 11:17:46 -275.178753 0.0133 BFGS: 9927 11:17:46 -275.178771 0.0104 BFGS: 9928 11:17:46 -275.183495 0.0324 BFGS: 9929 11:17:47 -275.178785 0.0079 BFGS: 9930 11:17:47 -275.178793 0.0069 BFGS: 9931 11:17:47 -275.181981 0.3266 BFGS: 9932 11:17:47 -275.178798 0.0063 BFGS: 9933 11:17:47 -275.183669 0.0289 BFGS: 9934 11:17:47 -275.178798 0.0061 BFGS: 9935 11:17:47 -275.178798 0.0059 BFGS: 9936 11:17:47 -275.183484 0.0389 BFGS: 9937 11:17:47 -275.183663 0.0303 BFGS: 9938 11:17:48 -275.184384 0.0300 BFGS: 9939 11:17:48 -275.179271 0.0179 BFGS: 9940 11:17:48 -275.183609 0.0348 BFGS: 9941 11:17:48 -275.178760 0.0124 BFGS: 9942 11:17:48 -275.178775 0.0097 BFGS: 9943 11:17:48 -275.183487 0.0402 BFGS: 9944 11:17:48 -275.178785 0.0081 BFGS: 9945 11:17:48 -275.178791 0.0085 BFGS: 9946 11:17:48 -275.183474 0.0396 BFGS: 9947 11:17:48 -275.178795 0.0083 BFGS: 9948 11:17:49 -275.183667 0.0292 BFGS: 9949 11:17:49 -275.178795 0.0081 BFGS: 9950 11:17:49 -275.178796 0.0079 BFGS: 9951 11:17:49 -275.183499 0.0316 BFGS: 9952 11:17:49 -275.183664 0.0301 BFGS: 9953 11:17:49 -275.184368 0.0415 BFGS: 9954 11:17:49 -275.179258 0.0263 BFGS: 9955 11:17:50 -275.183617 0.0291 BFGS: 9956 11:17:50 -275.178754 0.0149 BFGS: 9957 11:17:50 -275.178771 0.0111 BFGS: 9958 11:17:51 -275.183509 0.0301 BFGS: 9959 11:17:51 -275.178784 0.0080 BFGS: 9960 11:17:51 -275.178792 0.0073 BFGS: 9961 11:17:51 -275.181988 0.3288 BFGS: 9962 11:17:51 -275.178797 0.0068 BFGS: 9963 11:17:52 -275.178800 0.0064 BFGS: 9964 11:17:52 -275.181967 0.3256 BFGS: 9965 11:17:52 -275.183653 0.0300 BFGS: 9966 11:17:52 -275.184402 0.0234 BFGS: 9967 11:17:52 -275.179265 0.0174 BFGS: 9968 11:17:53 -275.183614 0.0312 BFGS: 9969 11:17:53 -275.178756 0.0102 BFGS: 9970 11:17:53 -275.178772 0.0090 BFGS: 9971 11:17:53 -275.181965 0.3240 BFGS: 9972 11:17:54 -275.178786 0.0077 BFGS: 9973 11:17:54 -275.178793 0.0068 BFGS: 9974 11:17:54 -275.181962 0.3228 BFGS: 9975 11:17:54 -275.178798 0.0061 BFGS: 9976 11:17:55 -275.183665 0.0297 BFGS: 9977 11:17:55 -275.178798 0.0062 BFGS: 9978 11:17:55 -275.178798 0.0062 BFGS: 9979 11:17:56 -275.181968 0.3183 BFGS: 9980 11:17:56 -275.183660 0.0305 BFGS: 9981 11:17:56 -275.184384 0.0255 BFGS: 9982 11:17:56 -275.179268 0.0162 BFGS: 9983 11:17:56 -275.183607 0.0338 BFGS: 9984 11:17:56 -275.178758 0.0118 BFGS: 9985 11:17:57 -275.178773 0.0096 BFGS: 9986 11:17:57 -275.183471 0.0392 BFGS: 9987 11:17:57 -275.178785 0.0082 BFGS: 9988 11:17:57 -275.178791 0.0081 BFGS: 9989 11:17:57 -275.181963 0.3178 BFGS: 9990 11:17:57 -275.178795 0.0078 BFGS: 9991 11:17:58 -275.183665 0.0302 BFGS: 9992 11:17:58 -275.178796 0.0076 BFGS: 9993 11:17:58 -275.178796 0.0074 BFGS: 9994 11:17:58 -275.181983 0.3268 BFGS: 9995 11:17:59 -275.183662 0.0303 BFGS: 9996 11:17:59 -275.184384 0.0341 BFGS: 9997 11:17:59 -275.179260 0.0231 BFGS: 9998 11:18:00 -275.183618 0.0300 BFGS: 9999 11:18:00 -275.178753 0.0134 BFGS: 10000 11:18:00 -275.178771 0.0105 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 0.009625278427141372 eV/Angstrom Maximum stress component: 0.0001824183228165948 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O'] basis = [[0.45475622 0.82805783 0.15171304] [0.54524378 0.32805783 0.34828696] [0.54524378 0.17194217 0.84828696] [0.45475622 0.67194217 0.65171304] [0.47122128 0.07080381 0.12692158] [0.52877872 0.57080381 0.37307842] [0.52877872 0.92919619 0.87307842] [0.47122128 0.42919619 0.62692158] [0.55634303 0.29747496 0.09046945] [0.44365697 0.79747496 0.40953055] [0.44365697 0.70252504 0.90953055] [0.55634303 0.20252504 0.59046945] [0.48983047 0.62501663 0.16354233] [0.51016953 0.12501663 0.33645767] [0.51016953 0.37498337 0.83645767] [0.48983047 0.87498337 0.66354233] [0.88655377 0.71943519 0.07458528] [0.11344623 0.21943519 0.42541472] [0.11344623 0.28056481 0.92541472] [0.88655377 0.78056481 0.57458528] [0.86834091 0.93757234 0.05614224] [0.13165909 0.43757234 0.44385776] [0.13165909 0.06242766 0.94385776] [0.86834091 0.56242766 0.55614224] [0.0068424 0.97551651 0.23274788] [0.9931576 0.47551651 0.26725212] [0.9931576 0.02448349 0.76725212] [0.0068424 0.52448349 0.73274788] [0.04209922 0.1902126 0.21421497] [0.95790078 0.6902126 0.28578503] [0.95790078 0.8097874 0.78578503] [0.04209922 0.3097874 0.71421497] [0.63157419 0.70901261 0.12638949] [0.36842581 0.20901261 0.37361051] [0.36842581 0.29098739 0.87361051] [0.63157419 0.79098739 0.62638949] [0.61052591 0.9441633 0.10866844] [0.38947409 0.4441633 0.39133156] [0.38947409 0.0558367 0.89133156] [0.61052591 0.5558367 0.60866844] [0.67428471 0.17323825 0.07592136] [0.32571529 0.67323825 0.42407864] [0.32571529 0.82676175 0.92407864] [0.67428471 0.32676175 0.57592136] [0.4545655 0.40153168 0.10331227] [0.5454345 0.90153168 0.39668773] [0.5454345 0.59846832 0.89668773] [0.4545655 0.09846832 0.60331227] [0.14010305 0.08527177 0.19570721] [0.85989695 0.58527177 0.30429279] [0.85989695 0.91472823 0.80429279] [0.14010305 0.41472823 0.69570721] [0.12442963 0.82818223 0.21998517] [0.87557037 0.32818223 0.28001483] [0.87557037 0.17181777 0.78001483] [0.12442963 0.67181777 0.71998517]] cellpar = Cell([[4.157493286701891, -2.0923522389482846e-17, 0.6741445022355562], [-2.9602730185794663e-17, 10.040104849019704, 3.803956428201268e-17], [2.479323442394127, 4.917302437445508e-17, 11.944430743863254]]) forces = [[ 7.43729055e-05 3.05364611e-03 -6.27170529e-05] [-7.43729055e-05 3.05364611e-03 6.27170529e-05] [-7.43729055e-05 -3.05364611e-03 6.27170529e-05] [ 7.43729055e-05 -3.05364611e-03 -6.27170529e-05] [ 2.84616646e-03 -1.20154882e-03 -1.19837479e-03] [-2.84616646e-03 -1.20154882e-03 1.19837479e-03] [-2.84616646e-03 1.20154882e-03 1.19837479e-03] [ 2.84616646e-03 1.20154882e-03 -1.19837479e-03] [-5.22009641e-03 5.09091393e-03 -2.42463989e-03] [ 5.22009641e-03 5.09091393e-03 2.42463989e-03] [ 5.22009641e-03 -5.09091393e-03 2.42463989e-03] [-5.22009641e-03 -5.09091393e-03 -2.42463989e-03] [-3.30973724e-04 -8.28844741e-04 2.41862382e-04] [ 3.30973724e-04 -8.28844741e-04 -2.41862382e-04] [ 3.30973724e-04 8.28844741e-04 -2.41862382e-04] [-3.30973724e-04 8.28844741e-04 2.41862382e-04] [ 5.21483687e-04 -5.23667124e-05 -2.37135833e-05] [-5.21483687e-04 -5.23667124e-05 2.37135833e-05] [-5.21483687e-04 5.23667124e-05 2.37135833e-05] [ 5.21483687e-04 5.23667124e-05 -2.37135833e-05] [-1.60500258e-04 4.75684033e-05 2.71307843e-04] [ 1.60500258e-04 4.75684033e-05 -2.71307843e-04] [ 1.60500258e-04 -4.75684033e-05 -2.71307843e-04] [-1.60500258e-04 -4.75684033e-05 2.71307843e-04] [-1.39547020e-04 -9.96819390e-04 3.26878196e-05] [ 1.39547020e-04 -9.96819390e-04 -3.26878196e-05] [ 1.39547020e-04 9.96819390e-04 -3.26878196e-05] [-1.39547020e-04 9.96819390e-04 3.26878196e-05] [-1.27866670e-04 1.12399876e-03 -4.43775095e-05] [ 1.27866670e-04 1.12399876e-03 4.43775095e-05] [ 1.27866670e-04 -1.12399876e-03 4.43775095e-05] [-1.27866670e-04 -1.12399876e-03 -4.43775095e-05] [ 4.05204002e-03 -5.42920709e-03 4.24874034e-03] [-4.05204002e-03 -5.42920709e-03 -4.24874034e-03] [-4.05204002e-03 5.42920709e-03 -4.24874034e-03] [ 4.05204002e-03 5.42920709e-03 4.24874034e-03] [-1.93385314e-03 4.10658554e-03 1.84409511e-03] [ 1.93385314e-03 4.10658554e-03 -1.84409511e-03] [ 1.93385314e-03 -4.10658554e-03 -1.84409511e-03] [-1.93385314e-03 -4.10658554e-03 1.84409511e-03] [-2.78466687e-03 8.12853035e-04 1.94436248e-03] [ 2.78466687e-03 8.12853035e-04 -1.94436248e-03] [ 2.78466687e-03 -8.12853035e-04 -1.94436248e-03] [-2.78466687e-03 -8.12853035e-04 1.94436248e-03] [ 4.09407422e-03 -9.62527843e-03 -6.59547550e-04] [-4.09407422e-03 -9.62527843e-03 6.59547550e-04] [-4.09407422e-03 9.62527843e-03 6.59547550e-04] [ 4.09407422e-03 9.62527843e-03 -6.59547550e-04] [ 3.75510083e-03 3.99774572e-03 2.09828568e-03] [-3.75510083e-03 3.99774572e-03 -2.09828568e-03] [-3.75510083e-03 -3.99774572e-03 -2.09828568e-03] [ 3.75510083e-03 -3.99774572e-03 2.09828568e-03] [-3.21764797e-03 -2.79962486e-04 -1.90731513e-03] [ 3.21764797e-03 -2.79962486e-04 1.90731513e-03] [ 3.21764797e-03 2.79962486e-04 1.90731513e-03] [-3.21764797e-03 2.79962486e-04 -1.90731513e-03]] stress = [-4.64200938e-05 1.82418323e-04 7.04787248e-05 4.09517391e-20 -1.18024867e-05 -2.90989323e-21] energy per atom = -4.848287227023436 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0