element(s): ['C'] AFLOW prototype label: A_oI120_71_lmn6o Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'x2', 'z2', 'x3', 'y3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['16.9765', '0.53839131', '0.53253026', '0.087794084', '0.41181715', '0.79695569', '0.077206239', '0.95291847', '0.41287669', '0.84820465', '0.25285259', '0.080318454', '0.91460436', '0.33504004', '0.12991053', '0.82302819', '0.12822295', '0.15791096', '0.95658327', '0.28466999', '0.25169645', '0.86554334', '0.080688437', '0.28688349', '0.93091231', '0.15926312', '0.33373657'] model name: Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] representative atom coordinates = [[0. 0.58818285 0.08779408] [0.79695569 0.92279376 0. ] [0.95291847 0. 0.41287669] [0.34820465 0.41968155 0.75285259] [0.41460436 0.37008947 0.83504004] [0.32302819 0.34208904 0.62822295] [0.45658327 0.24830355 0.78466999] [0.36554334 0.21311651 0.58068844] [0.43091231 0.16626343 0.65926312]] spacegroup = 71 cell = [[16.9765, 0, 0], [0, 9.0405, 0], [0, 0, 9.14]] ========================================= Step Time Energy fmax BFGS: 0 03:47:30 280.149743 12.6071 BFGS: 1 03:47:31 53.377353 9.9454 BFGS: 2 03:47:31 -74.653497 7.9671 BFGS: 3 03:47:31 -199.940294 8.4111 BFGS: 4 03:47:31 -374.704593 8.5423 BFGS: 5 03:47:31 -264.348392 6.5773 BFGS: 6 03:47:32 -374.744589 6.4572 BFGS: 7 03:47:32 -385.035225 6.1341 BFGS: 8 03:47:32 -393.817659 6.0954 BFGS: 9 03:47:32 -401.452565 5.8240 BFGS: 10 03:47:32 -460.645021 6.2539 BFGS: 11 03:47:32 -526.156176 4.2963 BFGS: 12 03:47:33 -415.927004 6.3057 BFGS: 13 03:47:33 -410.335923 6.2485 BFGS: 14 03:47:33 -415.415069 6.7373 BFGS: 15 03:47:33 -419.241369 7.3465 BFGS: 16 03:47:33 -431.784387 7.5445 BFGS: 17 03:47:34 -441.960442 8.0143 BFGS: 18 03:47:34 -418.567810 8.4261 BFGS: 19 03:47:34 -416.414135 7.2190 BFGS: 20 03:47:34 -419.696773 6.8959 BFGS: 21 03:47:34 -448.335720 6.5148 BFGS: 22 03:47:34 -425.321609 6.1418 BFGS: 23 03:47:35 -375.897795 7.7813 BFGS: 24 03:47:35 -383.835473 7.3873 BFGS: 25 03:47:35 -369.679210 8.1659 BFGS: 26 03:47:35 -371.795032 7.7316 BFGS: 27 03:47:35 -374.217479 7.1797 BFGS: 28 03:47:35 -401.177608 6.4778 BFGS: 29 03:47:36 -403.808032 5.6231 BFGS: 30 03:47:36 -443.152900 4.6902 BFGS: 31 03:47:36 -409.279046 4.2101 BFGS: 32 03:47:36 -448.397246 4.1283 BFGS: 33 03:47:36 -465.852086 4.0257 BFGS: 34 03:47:37 -469.276066 3.3384 BFGS: 35 03:47:37 -471.767653 3.0761 BFGS: 36 03:47:37 -480.974791 3.4401 BFGS: 37 03:47:37 -482.279137 3.5760 BFGS: 38 03:47:37 -498.764879 3.4409 BFGS: 39 03:47:37 -468.840005 2.4257 BFGS: 40 03:47:38 -475.418012 2.4251 BFGS: 41 03:47:38 -476.345950 2.2776 BFGS: 42 03:47:38 -468.680740 3.1296 BFGS: 43 03:47:38 -469.486686 3.0317 BFGS: 44 03:47:38 -494.354294 2.8870 BFGS: 45 03:47:38 -503.237441 2.7579 BFGS: 46 03:47:39 -503.695839 2.6412 BFGS: 47 03:47:39 -504.137515 2.5235 BFGS: 48 03:47:39 -452.278349 2.2197 BFGS: 49 03:47:39 -452.651957 2.1398 BFGS: 50 03:47:39 -453.009073 2.1034 BFGS: 51 03:47:40 -453.351180 2.0728 BFGS: 52 03:47:40 -453.682730 2.0366 BFGS: 53 03:47:40 -454.009189 1.9963 BFGS: 54 03:47:40 -414.913880 4.6827 BFGS: 55 03:47:40 -454.758523 2.0014 BFGS: 56 03:47:40 -455.119042 2.1460 BFGS: 57 03:47:41 -446.725627 2.2134 BFGS: 58 03:47:41 -440.601480 2.4573 BFGS: 59 03:47:41 -449.789615 2.5106 BFGS: 60 03:47:41 -450.158142 2.5436 BFGS: 61 03:47:41 -450.535078 2.5321 BFGS: 62 03:47:42 -442.009189 2.4850 BFGS: 63 03:47:42 -442.406706 2.3784 BFGS: 64 03:47:42 -450.253576 2.3465 BFGS: 65 03:47:42 -451.236996 2.3402 BFGS: 66 03:47:42 -476.439523 2.8624 BFGS: 67 03:47:42 -477.729242 3.1341 BFGS: 68 03:47:43 -479.147651 3.3687 BFGS: 69 03:47:43 -480.736611 3.5462 BFGS: 70 03:47:43 -482.434581 3.6348 BFGS: 71 03:47:43 -461.283737 3.5997 BFGS: 72 03:47:43 -463.322545 3.0817 BFGS: 73 03:47:44 -487.382962 2.3286 BFGS: 74 03:47:44 -466.833657 3.9428 BFGS: 75 03:47:44 -489.782409 2.9960 BFGS: 76 03:47:44 -463.279987 3.9062 BFGS: 77 03:47:44 -464.284473 3.1252 BFGS: 78 03:47:44 -443.276438 2.9093 BFGS: 79 03:47:45 -465.606715 2.5301 BFGS: 80 03:47:45 -465.971119 2.6223 BFGS: 81 03:47:45 -492.071982 1.9263 BFGS: 82 03:47:45 -501.702360 2.0289 BFGS: 83 03:47:45 -475.403306 3.5829 BFGS: 84 03:47:45 -476.375604 2.2839 BFGS: 85 03:47:46 -451.123097 2.3340 BFGS: 86 03:47:46 -477.011701 1.9926 BFGS: 87 03:47:46 -477.372437 1.9459 BFGS: 88 03:47:46 -476.660890 3.0145 BFGS: 89 03:47:46 -476.909717 2.9845 BFGS: 90 03:47:47 -477.149891 2.9190 BFGS: 91 03:47:47 -477.490016 2.6426 BFGS: 92 03:47:47 -477.668848 2.7602 BFGS: 93 03:47:47 -477.850132 2.8536 BFGS: 94 03:47:48 -503.628888 2.9283 BFGS: 95 03:47:48 -503.757355 2.9558 BFGS: 96 03:47:48 -503.890086 2.9702 BFGS: 97 03:47:48 -458.732806 4.0471 BFGS: 98 03:47:48 -471.409007 2.2558 BFGS: 99 03:47:48 -494.685397 1.3930 BFGS: 100 03:47:49 -494.761061 1.3310 BFGS: 101 03:47:49 -445.460303 2.5260 BFGS: 102 03:47:49 -445.734207 2.4243 BFGS: 103 03:47:49 -494.355417 1.4659 BFGS: 104 03:47:49 -494.744842 1.3512 BFGS: 105 03:47:50 -445.624598 2.4753 BFGS: 106 03:47:50 -471.791416 2.1332 BFGS: 107 03:47:50 -494.733670 1.4327 BFGS: 108 03:47:50 -494.897354 1.3227 BFGS: 109 03:47:50 -445.753295 2.4952 BFGS: 110 03:47:51 -445.949532 2.4455 BFGS: 111 03:47:51 -493.834684 1.9362 BFGS: 112 03:47:51 -494.657858 1.5495 BFGS: 113 03:47:51 -445.901706 2.4818 BFGS: 114 03:47:51 -494.963968 1.3783 BFGS: 115 03:47:52 -469.091006 2.4217 BFGS: 116 03:47:52 -446.016253 2.4294 BFGS: 117 03:47:52 -472.133517 2.0743 BFGS: 118 03:47:52 -494.852959 1.6542 BFGS: 119 03:47:52 -495.084219 1.4962 BFGS: 120 03:47:53 -495.361132 1.2594 BFGS: 121 03:47:53 -446.097607 2.4418 BFGS: 122 03:47:53 -472.344585 2.1309 BFGS: 123 03:47:53 -495.504722 1.3214 BFGS: 124 03:47:53 -495.573850 1.3159 BFGS: 125 03:47:54 -495.642491 1.3096 BFGS: 126 03:47:54 -495.710742 1.3025 BFGS: 127 03:47:54 -495.778666 1.2948 BFGS: 128 03:47:54 -495.846310 1.2867 BFGS: 129 03:47:55 -495.913708 1.2782 BFGS: 130 03:47:55 -495.980886 1.2693 BFGS: 131 03:47:55 -496.047865 1.2602 BFGS: 132 03:47:55 -496.114661 1.2510 BFGS: 133 03:47:56 -473.082192 2.0548 BFGS: 134 03:47:56 -496.240514 1.2417 BFGS: 135 03:47:56 -496.299127 1.2416 BFGS: 136 03:47:56 -496.357615 1.2414 BFGS: 137 03:47:56 -496.416000 1.2411 BFGS: 138 03:47:57 -496.474285 1.2407 BFGS: 139 03:47:57 -496.532459 1.2403 BFGS: 140 03:47:57 -496.590506 1.2399 BFGS: 141 03:47:57 -496.648402 1.2395 BFGS: 142 03:47:57 -496.706116 1.2392 BFGS: 143 03:47:57 -496.763614 1.2388 BFGS: 144 03:47:58 -496.820853 1.2385 BFGS: 145 03:47:58 -496.877790 1.2383 BFGS: 146 03:47:58 -460.422877 3.4250 BFGS: 147 03:47:58 -460.479858 3.4107 BFGS: 148 03:47:59 -460.535755 3.3970 BFGS: 149 03:47:59 -460.590691 3.3836 BFGS: 150 03:47:59 -451.445873 3.5919 BFGS: 151 03:47:59 -451.498863 3.5564 BFGS: 152 03:47:59 -451.551258 3.5215 BFGS: 153 03:48:00 -451.603121 3.4868 BFGS: 154 03:48:00 -451.654512 3.4519 BFGS: 155 03:48:00 -451.705493 3.4164 BFGS: 156 03:48:00 -451.756138 3.3803 BFGS: 157 03:48:00 -451.806525 3.3433 BFGS: 158 03:48:01 -451.856740 3.3051 BFGS: 159 03:48:01 -451.906880 3.2656 BFGS: 160 03:48:01 -451.957051 3.2247 BFGS: 161 03:48:01 -461.180504 3.1821 BFGS: 162 03:48:01 -470.386743 3.1585 BFGS: 163 03:48:02 -461.252228 3.1383 BFGS: 164 03:48:02 -470.464376 3.1177 BFGS: 165 03:48:02 -461.328781 3.0967 BFGS: 166 03:48:02 -461.366588 3.0754 BFGS: 167 03:48:02 -470.577809 3.0536 BFGS: 168 03:48:03 -470.616785 3.0312 BFGS: 169 03:48:03 -470.656564 3.0083 BFGS: 170 03:48:03 -470.697236 2.9850 BFGS: 171 03:48:03 -470.738874 2.9613 BFGS: 172 03:48:03 -470.781541 2.9372 BFGS: 173 03:48:03 -470.825276 2.9126 BFGS: 174 03:48:04 -470.870102 2.8875 BFGS: 175 03:48:04 -470.916018 2.8620 BFGS: 176 03:48:04 -470.963003 2.8359 BFGS: 177 03:48:04 -471.011009 2.8093 BFGS: 178 03:48:04 -471.059968 2.7821 BFGS: 179 03:48:05 -471.109113 2.7951 BFGS: 180 03:48:05 -471.157141 2.8166 BFGS: 181 03:48:05 -471.204008 2.8380 BFGS: 182 03:48:05 -471.249665 2.8594 BFGS: 183 03:48:05 -471.294063 2.8806 BFGS: 184 03:48:06 -445.083927 2.7520 BFGS: 185 03:48:06 -471.365145 2.9225 BFGS: 186 03:48:06 -471.441124 2.9746 BFGS: 187 03:48:06 -471.491076 2.9907 BFGS: 188 03:48:07 -445.539473 2.5633 BFGS: 189 03:48:07 -445.589859 2.5817 BFGS: 190 03:48:07 -445.668677 2.6122 BFGS: 191 03:48:07 -445.737376 2.6389 BFGS: 192 03:48:07 -471.594467 2.7737 BFGS: 193 03:48:07 -445.801440 2.6373 BFGS: 194 03:48:08 -471.648543 2.8561 BFGS: 195 03:48:08 -471.675079 2.9093 BFGS: 196 03:48:08 -471.700484 2.9502 BFGS: 197 03:48:08 -471.726295 2.9817 BFGS: 198 03:48:08 -445.922234 2.5415 BFGS: 199 03:48:08 -445.949681 2.5323 BFGS: 200 03:48:09 -419.058418 3.3982 BFGS: 201 03:48:09 -398.789801 3.5794 BFGS: 202 03:48:09 -419.156679 3.1801 BFGS: 203 03:48:09 -419.212803 3.0554 BFGS: 204 03:48:09 -398.953187 3.5160 BFGS: 205 03:48:09 -418.621485 2.9455 BFGS: 206 03:48:10 -418.670470 2.9156 BFGS: 207 03:48:10 -445.291526 2.9528 BFGS: 208 03:48:10 -471.756939 2.9200 BFGS: 209 03:48:10 -471.819655 2.8470 BFGS: 210 03:48:10 -471.864164 2.8018 BFGS: 211 03:48:11 -471.899983 2.8472 BFGS: 212 03:48:11 -471.931594 2.8817 BFGS: 213 03:48:11 -445.153938 3.2926 BFGS: 214 03:48:11 -445.190298 3.2396 BFGS: 215 03:48:11 -445.285068 3.1112 BFGS: 216 03:48:11 -445.360012 3.0167 BFGS: 217 03:48:12 -428.039580 3.0414 BFGS: 218 03:48:12 -428.094338 2.9555 BFGS: 219 03:48:12 -428.142747 2.8848 BFGS: 220 03:48:12 -428.186806 2.8261 BFGS: 221 03:48:12 -428.227755 2.7770 BFGS: 222 03:48:13 -428.266405 2.7355 BFGS: 223 03:48:13 -428.303313 2.7001 BFGS: 224 03:48:13 -428.338881 2.6696 BFGS: 225 03:48:13 -428.373405 2.6432 BFGS: 226 03:48:13 -428.407116 2.6734 BFGS: 227 03:48:14 -428.440189 2.7229 BFGS: 228 03:48:14 -428.472765 2.7686 BFGS: 229 03:48:14 -428.504954 2.8107 BFGS: 230 03:48:14 -428.536842 2.8494 BFGS: 231 03:48:14 -428.568502 2.8851 BFGS: 232 03:48:15 -428.599988 2.9179 BFGS: 233 03:48:15 -428.631346 2.9482 BFGS: 234 03:48:15 -411.716600 2.9760 BFGS: 235 03:48:15 -411.747645 3.0051 BFGS: 236 03:48:16 -411.779367 3.0314 BFGS: 237 03:48:16 -411.811721 3.0551 BFGS: 238 03:48:16 -411.844660 3.0766 BFGS: 239 03:48:16 -411.878143 3.0959 BFGS: 240 03:48:16 -411.912134 3.1134 BFGS: 241 03:48:17 -411.946599 3.1291 BFGS: 242 03:48:17 -411.981511 3.1432 BFGS: 243 03:48:17 -412.016842 3.1558 BFGS: 244 03:48:17 -412.052571 3.1671 BFGS: 245 03:48:17 -412.088676 3.1771 BFGS: 246 03:48:18 -412.125141 3.1859 BFGS: 247 03:48:18 -412.161948 3.1935 BFGS: 248 03:48:18 -412.199084 3.2001 BFGS: 249 03:48:18 -393.399555 3.4850 BFGS: 250 03:48:18 -406.076355 3.2085 BFGS: 251 03:48:19 -406.110687 3.2114 BFGS: 252 03:48:19 -406.145210 3.2140 BFGS: 253 03:48:19 -406.179895 3.2161 BFGS: 254 03:48:19 -406.214718 3.2179 BFGS: 255 03:48:20 -406.249656 3.2191 BFGS: 256 03:48:20 -406.284695 3.2197 BFGS: 257 03:48:20 -406.319819 3.2198 BFGS: 258 03:48:20 -406.355018 3.2193 BFGS: 259 03:48:20 -406.390284 3.2182 BFGS: 260 03:48:20 -406.425609 3.2165 BFGS: 261 03:48:21 -406.460988 3.2143 BFGS: 262 03:48:21 -406.496416 3.2115 BFGS: 263 03:48:21 -406.531890 3.2082 BFGS: 264 03:48:21 -406.567408 3.2043 BFGS: 265 03:48:21 -406.602968 3.1999 BFGS: 266 03:48:21 -406.638569 3.1950 BFGS: 267 03:48:22 -406.674211 3.1896 BFGS: 268 03:48:22 -406.709893 3.1836 BFGS: 269 03:48:22 -406.745616 3.1772 BFGS: 270 03:48:22 -406.781381 3.1703 BFGS: 271 03:48:22 -406.817188 3.1629 BFGS: 272 03:48:23 -406.853040 3.1551 BFGS: 273 03:48:23 -406.888937 3.1468 BFGS: 274 03:48:23 -406.924881 3.1380 BFGS: 275 03:48:23 -406.960875 3.1288 BFGS: 276 03:48:23 -406.996920 3.1191 BFGS: 277 03:48:23 -407.033019 3.1090 BFGS: 278 03:48:24 -407.069174 3.0984 BFGS: 279 03:48:24 -407.105388 3.0874 BFGS: 280 03:48:24 -407.141662 3.0760 BFGS: 281 03:48:24 -407.178000 3.0641 BFGS: 282 03:48:24 -407.214405 3.0518 BFGS: 283 03:48:24 -407.250878 3.0391 BFGS: 284 03:48:25 -407.287424 3.0259 BFGS: 285 03:48:25 -407.324044 3.0123 BFGS: 286 03:48:25 -407.360742 2.9982 BFGS: 287 03:48:25 -431.243552 3.8655 BFGS: 288 03:48:25 -431.299070 3.8233 BFGS: 289 03:48:25 -431.348363 3.7814 BFGS: 290 03:48:26 -431.393170 3.7396 BFGS: 291 03:48:26 -431.434527 3.6979 BFGS: 292 03:48:26 -431.473115 3.6562 BFGS: 293 03:48:26 -431.509417 3.6143 BFGS: 294 03:48:26 -431.543797 3.5721 BFGS: 295 03:48:27 -440.664107 2.4568 BFGS: 296 03:48:27 -440.680489 2.4561 BFGS: 297 03:48:27 -440.719079 2.4601 BFGS: 298 03:48:27 -440.752116 2.4719 BFGS: 299 03:48:27 -431.627464 3.4677 BFGS: 300 03:48:27 -440.793402 2.5085 BFGS: 301 03:48:28 -440.842127 2.5550 BFGS: 302 03:48:28 -440.931915 2.6398 BFGS: 303 03:48:28 -441.006453 2.7043 BFGS: 304 03:48:28 -441.070545 2.7317 BFGS: 305 03:48:28 -464.253066 2.7119 BFGS: 306 03:48:28 -464.321609 2.6345 BFGS: 307 03:48:29 -464.393217 2.5313 BFGS: 308 03:48:29 -464.457073 2.4262 BFGS: 309 03:48:29 -464.502569 2.3484 BFGS: 310 03:48:29 -437.845553 3.3076 BFGS: 311 03:48:29 -437.918117 3.2721 BFGS: 312 03:48:29 -438.019960 3.1947 BFGS: 313 03:48:30 -438.161293 3.0670 BFGS: 314 03:48:30 -438.345667 2.8739 BFGS: 315 03:48:30 -407.452446 2.7239 BFGS: 316 03:48:30 -407.607400 2.4893 BFGS: 317 03:48:30 -431.642051 3.4170 BFGS: 318 03:48:31 -431.879467 3.3977 BFGS: 319 03:48:31 -441.206518 2.4114 BFGS: 320 03:48:31 -464.478640 2.3381 BFGS: 321 03:48:31 -438.410357 2.8507 BFGS: 322 03:48:31 -438.522546 2.7389 BFGS: 323 03:48:32 -441.261780 2.3811 BFGS: 324 03:48:32 -441.326402 2.3495 BFGS: 325 03:48:32 -438.485999 2.7803 BFGS: 326 03:48:32 -464.503951 2.3229 BFGS: 327 03:48:32 -464.525286 2.3082 BFGS: 328 03:48:32 -438.494139 2.7746 BFGS: 329 03:48:33 -438.536903 2.7330 BFGS: 330 03:48:33 -441.260577 2.3587 BFGS: 331 03:48:33 -441.341155 2.3246 BFGS: 332 03:48:33 -438.545278 2.7319 BFGS: 333 03:48:33 -464.517860 2.3023 BFGS: 334 03:48:33 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2.1423 BFGS: 8567 04:13:09 -464.900833 2.3483 BFGS: 8568 04:13:09 -465.517525 1.9432 BFGS: 8569 04:13:09 -455.229108 2.7695 BFGS: 8570 04:13:09 -482.006353 2.1950 BFGS: 8571 04:13:09 -464.980773 2.2980 BFGS: 8572 04:13:10 -448.512991 1.8855 BFGS: 8573 04:13:10 -481.718987 2.3325 BFGS: 8574 04:13:10 -482.118941 2.1358 BFGS: 8575 04:13:10 -464.392485 2.6550 BFGS: 8576 04:13:10 -465.374617 2.0410 BFGS: 8577 04:13:10 -455.442343 2.7141 BFGS: 8578 04:13:10 -482.106973 2.1423 BFGS: 8579 04:13:11 -464.900663 2.3483 BFGS: 8580 04:13:11 -465.517388 1.9432 BFGS: 8581 04:13:11 -455.230385 2.7694 BFGS: 8582 04:13:11 -482.006421 2.1950 BFGS: 8583 04:13:11 -464.980524 2.2981 BFGS: 8584 04:13:11 -448.512837 1.8856 BFGS: 8585 04:13:11 -481.718896 2.3326 BFGS: 8586 04:13:12 -482.118932 2.1359 BFGS: 8587 04:13:12 -464.392849 2.6548 BFGS: 8588 04:13:12 -465.374612 2.0409 BFGS: 8589 04:13:12 -455.443398 2.7140 BFGS: 8590 04:13:12 -482.106952 2.1424 BFGS: 8591 04:13:13 -464.900495 2.3484 BFGS: 8592 04:13:13 -465.517253 1.9432 BFGS: 8593 04:13:13 -455.231664 2.7693 BFGS: 8594 04:13:13 -482.006490 2.1950 BFGS: 8595 04:13:13 -464.980279 2.2982 BFGS: 8596 04:13:13 -448.512684 1.8856 BFGS: 8597 04:13:13 -481.718805 2.3327 BFGS: 8598 04:13:14 -482.118923 2.1359 BFGS: 8599 04:13:14 -464.393216 2.6545 BFGS: 8600 04:13:14 -465.374609 2.0408 BFGS: 8601 04:13:14 -455.444456 2.7140 BFGS: 8602 04:13:14 -482.106931 2.1424 BFGS: 8603 04:13:14 -464.900331 2.3484 BFGS: 8604 04:13:14 -465.517118 1.9432 BFGS: 8605 04:13:15 -455.232945 2.7692 BFGS: 8606 04:13:15 -482.006559 2.1950 BFGS: 8607 04:13:15 -464.980035 2.2983 BFGS: 8608 04:13:15 -448.512531 1.8857 BFGS: 8609 04:13:15 -481.718715 2.3328 BFGS: 8610 04:13:15 -482.118914 2.1359 BFGS: 8611 04:13:16 -464.393586 2.6543 BFGS: 8612 04:13:16 -465.374606 2.0407 BFGS: 8613 04:13:16 -455.445515 2.7139 BFGS: 8614 04:13:16 -482.106909 2.1425 BFGS: 8615 04:13:16 -464.900168 2.3485 BFGS: 8616 04:13:16 -465.516984 1.9432 BFGS: 8617 04:13:17 -455.234229 2.7691 BFGS: 8618 04:13:17 -482.006628 2.1950 BFGS: 8619 04:13:17 -464.979795 2.2983 BFGS: 8620 04:13:17 -448.512379 1.8857 BFGS: 8621 04:13:17 -481.718625 2.3328 BFGS: 8622 04:13:17 -482.118905 2.1360 BFGS: 8623 04:13:18 -464.393959 2.6540 BFGS: 8624 04:13:18 -465.374605 2.0407 BFGS: 8625 04:13:18 -455.446574 2.7139 BFGS: 8626 04:13:18 -482.106888 2.1425 BFGS: 8627 04:13:18 -464.900008 2.3485 BFGS: 8628 04:13:19 -465.516850 1.9432 BFGS: 8629 04:13:19 -455.235513 2.7690 BFGS: 8630 04:13:19 -482.006697 2.1950 BFGS: 8631 04:13:19 -464.979556 2.2984 BFGS: 8632 04:13:19 -448.512227 1.8858 BFGS: 8633 04:13:20 -481.718536 2.3329 BFGS: 8634 04:13:20 -482.118895 2.1360 BFGS: 8635 04:13:20 -464.394335 2.6538 BFGS: 8636 04:13:20 -465.374604 2.0406 BFGS: 8637 04:13:20 -455.447635 2.7138 BFGS: 8638 04:13:21 -482.106866 2.1425 BFGS: 8639 04:13:21 -464.899850 2.3485 BFGS: 8640 04:13:21 -465.516718 1.9432 BFGS: 8641 04:13:21 -455.236797 2.7689 BFGS: 8642 04:13:21 -482.006766 2.1950 BFGS: 8643 04:13:21 -464.979319 2.2985 BFGS: 8644 04:13:22 -448.512075 1.8858 BFGS: 8645 04:13:22 -481.718446 2.3330 BFGS: 8646 04:13:22 -482.118885 2.1360 BFGS: 8647 04:13:22 -464.394713 2.6535 BFGS: 8648 04:13:23 -465.374604 2.0405 BFGS: 8649 04:13:23 -455.448696 2.7138 BFGS: 8650 04:13:23 -482.106844 2.1426 BFGS: 8651 04:13:23 -464.899694 2.3486 BFGS: 8652 04:13:23 -465.516586 1.9432 BFGS: 8653 04:13:24 -455.238082 2.7688 BFGS: 8654 04:13:24 -482.006834 2.1950 BFGS: 8655 04:13:24 -464.979084 2.2986 BFGS: 8656 04:13:24 -448.511923 1.8859 BFGS: 8657 04:13:24 -481.718357 2.3331 BFGS: 8658 04:13:25 -482.118874 2.1361 BFGS: 8659 04:13:25 -464.395092 2.6533 BFGS: 8660 04:13:25 -465.374605 2.0404 BFGS: 8661 04:13:25 -455.449757 2.7137 BFGS: 8662 04:13:26 -482.106822 2.1426 BFGS: 8663 04:13:26 -464.899539 2.3486 BFGS: 8664 04:13:26 -465.516455 1.9432 BFGS: 8665 04:13:26 -455.239367 2.7687 BFGS: 8666 04:13:26 -482.006903 2.1950 BFGS: 8667 04:13:27 -464.978851 2.2987 BFGS: 8668 04:13:27 -448.511772 1.8859 BFGS: 8669 04:13:27 -481.718267 2.3331 BFGS: 8670 04:13:27 -482.118862 2.1361 BFGS: 8671 04:13:27 -464.395473 2.6530 BFGS: 8672 04:13:28 -465.374606 2.0403 BFGS: 8673 04:13:28 -455.450817 2.7137 BFGS: 8674 04:13:28 -482.106799 2.1426 BFGS: 8675 04:13:28 -464.899386 2.3487 BFGS: 8676 04:13:28 -465.516324 1.9432 BFGS: 8677 04:13:28 -455.240650 2.7686 BFGS: 8678 04:13:29 -482.006970 2.1950 BFGS: 8679 04:13:29 -464.978620 2.2988 BFGS: 8680 04:13:29 -448.511622 1.8860 BFGS: 8681 04:13:29 -481.718177 2.3332 BFGS: 8682 04:13:29 -482.118850 2.1361 BFGS: 8683 04:13:30 -464.395855 2.6528 BFGS: 8684 04:13:30 -465.374608 2.0402 BFGS: 8685 04:13:30 -455.451876 2.7136 BFGS: 8686 04:13:30 -482.106776 2.1427 BFGS: 8687 04:13:30 -464.899235 2.3487 BFGS: 8688 04:13:31 -465.516194 1.9432 BFGS: 8689 04:13:31 -455.241933 2.7685 BFGS: 8690 04:13:31 -482.007038 2.1950 BFGS: 8691 04:13:31 -464.978390 2.2989 BFGS: 8692 04:13:31 -448.511471 1.8860 BFGS: 8693 04:13:32 -481.718087 2.3333 BFGS: 8694 04:13:32 -482.118837 2.1361 BFGS: 8695 04:13:32 -464.396238 2.6525 BFGS: 8696 04:13:32 -465.374611 2.0402 BFGS: 8697 04:13:33 -455.452934 2.7136 BFGS: 8698 04:13:33 -482.106753 2.1427 BFGS: 8699 04:13:33 -464.899085 2.3487 BFGS: 8700 04:13:33 -465.516065 1.9432 BFGS: 8701 04:13:33 -455.243214 2.7684 BFGS: 8702 04:13:34 -482.007104 2.1949 BFGS: 8703 04:13:34 -464.978162 2.2990 BFGS: 8704 04:13:34 -448.511321 1.8861 BFGS: 8705 04:13:34 -481.717996 2.3334 BFGS: 8706 04:13:35 -482.118824 2.1362 BFGS: 8707 04:13:35 -464.396621 2.6522 BFGS: 8708 04:13:35 -465.374614 2.0401 BFGS: 8709 04:13:35 -455.453991 2.7135 BFGS: 8710 04:13:35 -482.106729 2.1427 BFGS: 8711 04:13:36 -464.898936 2.3488 BFGS: 8712 04:13:36 -465.515936 1.9432 BFGS: 8713 04:13:36 -455.244494 2.7683 BFGS: 8714 04:13:36 -482.007170 2.1949 BFGS: 8715 04:13:36 -464.977935 2.2990 BFGS: 8716 04:13:37 -448.511172 1.8861 BFGS: 8717 04:13:37 -481.717905 2.3334 BFGS: 8718 04:13:37 -482.118810 2.1362 BFGS: 8719 04:13:37 -464.397004 2.6520 BFGS: 8720 04:13:37 -465.374618 2.0400 BFGS: 8721 04:13:38 -455.455047 2.7134 BFGS: 8722 04:13:38 -482.106704 2.1428 BFGS: 8723 04:13:38 -464.898789 2.3488 BFGS: 8724 04:13:38 -465.515808 1.9432 BFGS: 8725 04:13:38 -455.245771 2.7682 BFGS: 8726 04:13:39 -482.007236 2.1949 BFGS: 8727 04:13:39 -464.977709 2.2991 BFGS: 8728 04:13:39 -448.511022 1.8862 BFGS: 8729 04:13:39 -481.717814 2.3335 BFGS: 8730 04:13:40 -482.118796 2.1362 BFGS: 8731 04:13:40 -464.397388 2.6517 BFGS: 8732 04:13:40 -465.374622 2.0399 BFGS: 8733 04:13:40 -455.456100 2.7134 BFGS: 8734 04:13:40 -482.106679 2.1428 BFGS: 8735 04:13:40 -464.898643 2.3489 BFGS: 8736 04:13:41 -465.515681 1.9432 BFGS: 8737 04:13:41 -455.247047 2.7681 BFGS: 8738 04:13:41 -482.007301 2.1949 BFGS: 8739 04:13:41 -464.977485 2.2992 BFGS: 8740 04:13:42 -448.510873 1.8862 BFGS: 8741 04:13:42 -481.717722 2.3336 BFGS: 8742 04:13:42 -482.118780 2.1363 BFGS: 8743 04:13:42 -464.397772 2.6515 BFGS: 8744 04:13:42 -465.374627 2.0398 BFGS: 8745 04:13:43 -455.457152 2.7133 BFGS: 8746 04:13:43 -482.106653 2.1428 BFGS: 8747 04:13:43 -464.898497 2.3489 BFGS: 8748 04:13:43 -465.515554 1.9432 BFGS: 8749 04:13:43 -455.248320 2.7680 BFGS: 8750 04:13:44 -482.007365 2.1949 BFGS: 8751 04:13:44 -464.977262 2.2993 BFGS: 8752 04:13:44 -448.510725 1.8863 BFGS: 8753 04:13:44 -481.717630 2.3337 BFGS: 8754 04:13:44 -482.118764 2.1363 BFGS: 8755 04:13:45 -464.398155 2.6512 BFGS: 8756 04:13:45 -465.374632 2.0397 BFGS: 8757 04:13:45 -455.458201 2.7133 BFGS: 8758 04:13:45 -482.106627 2.1429 BFGS: 8759 04:13:45 -464.898353 2.3489 BFGS: 8760 04:13:46 -465.515428 1.9432 BFGS: 8761 04:13:46 -455.249590 2.7679 BFGS: 8762 04:13:46 -482.007428 2.1949 BFGS: 8763 04:13:46 -464.977039 2.2994 BFGS: 8764 04:13:46 -448.510577 1.8863 BFGS: 8765 04:13:47 -481.717537 2.3337 BFGS: 8766 04:13:47 -482.118748 2.1363 BFGS: 8767 04:13:47 -464.398539 2.6510 BFGS: 8768 04:13:47 -465.374637 2.0397 BFGS: 8769 04:13:47 -455.459248 2.7132 BFGS: 8770 04:13:47 -482.106600 2.1429 BFGS: 8771 04:13:48 -464.898209 2.3490 BFGS: 8772 04:13:48 -465.515303 1.9432 BFGS: 8773 04:13:48 -455.250857 2.7678 BFGS: 8774 04:13:48 -482.007491 2.1949 BFGS: 8775 04:13:48 -464.976818 2.2995 BFGS: 8776 04:13:49 -448.510429 1.8864 BFGS: 8777 04:13:49 -481.717443 2.3338 BFGS: 8778 04:13:49 -482.118730 2.1363 BFGS: 8779 04:13:49 -464.398921 2.6507 BFGS: 8780 04:13:49 -465.374643 2.0396 BFGS: 8781 04:13:49 -455.460293 2.7132 BFGS: 8782 04:13:50 -482.106573 2.1429 BFGS: 8783 04:13:50 -464.898066 2.3490 BFGS: 8784 04:13:50 -465.515178 1.9432 BFGS: 8785 04:13:50 -455.252121 2.7677 BFGS: 8786 04:13:50 -482.007552 2.1949 BFGS: 8787 04:13:51 -464.976598 2.2995 BFGS: 8788 04:13:51 -448.510282 1.8864 BFGS: 8789 04:13:51 -481.717348 2.3339 BFGS: 8790 04:13:51 -482.118712 2.1364 BFGS: 8791 04:13:51 -464.399303 2.6505 BFGS: 8792 04:13:52 -465.374649 2.0395 BFGS: 8793 04:13:52 -455.461335 2.7131 BFGS: 8794 04:13:52 -482.106544 2.1430 BFGS: 8795 04:13:52 -464.897924 2.3490 BFGS: 8796 04:13:53 -465.515054 1.9432 BFGS: 8797 04:13:53 -455.253382 2.7676 BFGS: 8798 04:13:53 -482.007613 2.1949 BFGS: 8799 04:13:53 -464.976379 2.2996 BFGS: 8800 04:13:53 -448.510135 1.8865 BFGS: 8801 04:13:54 -481.717253 2.3339 BFGS: 8802 04:13:54 -482.118693 2.1364 BFGS: 8803 04:13:54 -464.399684 2.6502 BFGS: 8804 04:13:54 -465.374656 2.0394 BFGS: 8805 04:13:55 -455.462374 2.7130 BFGS: 8806 04:13:55 -482.106515 2.1430 BFGS: 8807 04:13:55 -464.897783 2.3491 BFGS: 8808 04:13:55 -465.514931 1.9432 BFGS: 8809 04:13:55 -455.254640 2.7675 BFGS: 8810 04:13:56 -482.007673 2.1949 BFGS: 8811 04:13:56 -464.976160 2.2997 BFGS: 8812 04:13:56 -448.509988 1.8865 BFGS: 8813 04:13:56 -481.717157 2.3340 BFGS: 8814 04:13:56 -482.118673 2.1364 BFGS: 8815 04:13:57 -464.400065 2.6500 BFGS: 8816 04:13:57 -465.374663 2.0393 BFGS: 8817 04:13:57 -455.463411 2.7130 BFGS: 8818 04:13:57 -482.106486 2.1430 BFGS: 8819 04:13:57 -464.897642 2.3491 BFGS: 8820 04:13:58 -465.514808 1.9432 BFGS: 8821 04:13:58 -455.255894 2.7674 BFGS: 8822 04:13:58 -482.007732 2.1949 BFGS: 8823 04:13:58 -464.975942 2.2998 BFGS: 8824 04:13:58 -448.509842 1.8865 BFGS: 8825 04:13:58 -481.717060 2.3341 BFGS: 8826 04:13:59 -482.118652 2.1365 BFGS: 8827 04:13:59 -464.400444 2.6497 BFGS: 8828 04:13:59 -465.374670 2.0393 BFGS: 8829 04:13:59 -455.464444 2.7129 BFGS: 8830 04:13:59 -482.106455 2.1431 BFGS: 8831 04:13:59 -464.897502 2.3492 BFGS: 8832 04:14:00 -465.514685 1.9432 BFGS: 8833 04:14:00 -455.257145 2.7673 BFGS: 8834 04:14:00 -482.007790 2.1948 BFGS: 8835 04:14:00 -464.975725 2.2999 BFGS: 8836 04:14:00 -448.509697 1.8866 BFGS: 8837 04:14:00 -481.716963 2.3342 BFGS: 8838 04:14:01 -482.118631 2.1365 BFGS: 8839 04:14:01 -464.400823 2.6494 BFGS: 8840 04:14:01 -465.374677 2.0392 BFGS: 8841 04:14:01 -455.465475 2.7129 BFGS: 8842 04:14:01 -482.106424 2.1431 BFGS: 8843 04:14:01 -464.897363 2.3492 BFGS: 8844 04:14:01 -465.514564 1.9432 BFGS: 8845 04:14:02 -455.258392 2.7672 BFGS: 8846 04:14:02 -482.007848 2.1948 BFGS: 8847 04:14:02 -464.975509 2.3000 BFGS: 8848 04:14:02 -448.509551 1.8866 BFGS: 8849 04:14:02 -481.716864 2.3342 BFGS: 8850 04:14:02 -482.118609 2.1365 BFGS: 8851 04:14:03 -464.401200 2.6492 BFGS: 8852 04:14:03 -465.374685 2.0391 BFGS: 8853 04:14:03 -455.466503 2.7128 BFGS: 8854 04:14:03 -482.106392 2.1431 BFGS: 8855 04:14:03 -464.897224 2.3492 BFGS: 8856 04:14:04 -465.514443 1.9432 BFGS: 8857 04:14:04 -455.259635 2.7671 BFGS: 8858 04:14:04 -482.007904 2.1948 BFGS: 8859 04:14:04 -464.975294 2.3000 BFGS: 8860 04:14:05 -448.509406 1.8867 BFGS: 8861 04:14:05 -481.716765 2.3343 BFGS: 8862 04:14:05 -482.118586 2.1365 BFGS: 8863 04:14:05 -464.401576 2.6490 BFGS: 8864 04:14:05 -465.374692 2.0390 BFGS: 8865 04:14:06 -455.467527 2.7128 BFGS: 8866 04:14:06 -482.106360 2.1432 BFGS: 8867 04:14:06 -464.897086 2.3493 BFGS: 8868 04:14:06 -465.514322 1.9432 BFGS: 8869 04:14:06 -455.260875 2.7670 BFGS: 8870 04:14:06 -482.007959 2.1948 BFGS: 8871 04:14:07 -464.975079 2.3001 BFGS: 8872 04:14:07 -448.509262 1.8867 BFGS: 8873 04:14:07 -481.716665 2.3344 BFGS: 8874 04:14:07 -482.118562 2.1366 BFGS: 8875 04:14:07 -464.401951 2.6487 BFGS: 8876 04:14:07 -465.374701 2.0389 BFGS: 8877 04:14:08 -455.468548 2.7127 BFGS: 8878 04:14:08 -482.106327 2.1432 BFGS: 8879 04:14:08 -464.896948 2.3493 BFGS: 8880 04:14:08 -465.514202 1.9432 BFGS: 8881 04:14:08 -455.262110 2.7669 BFGS: 8882 04:14:08 -482.008013 2.1948 BFGS: 8883 04:14:09 -464.974865 2.3002 BFGS: 8884 04:14:09 -448.509118 1.8868 BFGS: 8885 04:14:09 -481.716563 2.3344 BFGS: 8886 04:14:09 -482.118537 2.1366 BFGS: 8887 04:14:09 -464.402324 2.6485 BFGS: 8888 04:14:10 -465.374709 2.0389 BFGS: 8889 04:14:10 -455.469566 2.7127 BFGS: 8890 04:14:10 -482.106292 2.1432 BFGS: 8891 04:14:10 -464.896810 2.3493 BFGS: 8892 04:14:10 -465.514083 1.9432 BFGS: 8893 04:14:10 -455.263342 2.7668 BFGS: 8894 04:14:11 -482.008066 2.1948 BFGS: 8895 04:14:11 -464.974651 2.3003 BFGS: 8896 04:14:11 -448.508974 1.8868 BFGS: 8897 04:14:11 -481.716461 2.3345 BFGS: 8898 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04:16:26 -465.386502 2.0269 BFGS: 9613 04:16:26 -455.514832 2.7128 BFGS: 9614 04:16:26 -482.095797 2.1486 BFGS: 9615 04:16:26 -464.900042 2.3449 BFGS: 9616 04:16:26 -465.515693 1.9376 BFGS: 9617 04:16:26 -455.323832 2.7635 BFGS: 9618 04:16:26 -482.004240 2.1968 BFGS: 9619 04:16:27 -464.971944 2.2994 BFGS: 9620 04:16:27 -465.589805 1.8852 BFGS: 9621 04:16:27 -455.211560 2.7925 BFGS: 9622 04:16:27 -481.949019 2.2248 BFGS: 9623 04:16:27 -465.014770 2.2720 BFGS: 9624 04:16:27 -448.533604 1.8545 BFGS: 9625 04:16:27 -481.673642 2.3545 BFGS: 9626 04:16:28 -482.082021 2.1559 BFGS: 9627 04:16:28 -464.480498 2.6009 BFGS: 9628 04:16:28 -465.411214 2.0099 BFGS: 9629 04:16:28 -455.481820 2.7219 BFGS: 9630 04:16:28 -482.078923 2.1576 BFGS: 9631 04:16:28 -464.914335 2.3358 BFGS: 9632 04:16:29 -465.529887 1.9275 BFGS: 9633 04:16:29 -455.305329 2.7686 BFGS: 9634 04:16:29 -481.993994 2.2020 BFGS: 9635 04:16:29 -464.980759 2.2937 BFGS: 9636 04:16:29 -448.510228 1.8792 BFGS: 9637 04:16:29 -481.699738 2.3428 BFGS: 9638 04:16:30 -482.105466 2.1433 BFGS: 9639 04:16:30 -464.442496 2.6235 BFGS: 9640 04:16:30 -465.387205 2.0263 BFGS: 9641 04:16:30 -455.516404 2.7128 BFGS: 9642 04:16:30 -482.095185 2.1489 BFGS: 9643 04:16:30 -464.900761 2.3444 BFGS: 9644 04:16:30 -465.516080 1.9372 BFGS: 9645 04:16:31 -455.325792 2.7634 BFGS: 9646 04:16:31 -482.003824 2.1969 BFGS: 9647 04:16:31 -464.972465 2.2990 BFGS: 9648 04:16:31 -465.590012 1.8849 BFGS: 9649 04:16:31 -455.213742 2.7924 BFGS: 9650 04:16:31 -481.948724 2.2249 BFGS: 9651 04:16:31 -465.015169 2.2717 BFGS: 9652 04:16:32 -448.533580 1.8542 BFGS: 9653 04:16:32 -481.673138 2.3548 BFGS: 9654 04:16:32 -482.081507 2.1561 BFGS: 9655 04:16:32 -464.481789 2.6001 BFGS: 9656 04:16:32 -465.411685 2.0094 BFGS: 9657 04:16:32 -455.483464 2.7219 BFGS: 9658 04:16:33 -482.078419 2.1578 BFGS: 9659 04:16:33 -464.914858 2.3354 BFGS: 9660 04:16:33 -465.530148 1.9272 BFGS: 9661 04:16:33 -455.307250 2.7685 BFGS: 9662 04:16:33 -481.993628 2.2021 BFGS: 9663 04:16:33 -464.981145 2.2934 BFGS: 9664 04:16:33 -448.510222 1.8789 BFGS: 9665 04:16:34 -481.699174 2.3431 BFGS: 9666 04:16:34 -482.104916 2.1435 BFGS: 9667 04:16:34 -464.443747 2.6227 BFGS: 9668 04:16:34 -465.387688 2.0259 BFGS: 9669 04:16:34 -455.517905 2.7128 BFGS: 9670 04:16:34 -482.094652 2.1491 BFGS: 9671 04:16:34 -464.901257 2.3440 BFGS: 9672 04:16:35 -465.516351 1.9369 BFGS: 9673 04:16:35 -455.327585 2.7634 BFGS: 9674 04:16:35 -482.003431 2.1971 BFGS: 9675 04:16:35 -464.972824 2.2987 BFGS: 9676 04:16:35 -465.590154 1.8846 BFGS: 9677 04:16:35 -455.215718 2.7923 BFGS: 9678 04:16:35 -481.948423 2.2250 BFGS: 9679 04:16:36 -465.015441 2.2714 BFGS: 9680 04:16:36 -448.533530 1.8540 BFGS: 9681 04:16:36 -481.672604 2.3550 BFGS: 9682 04:16:36 -482.081003 2.1563 BFGS: 9683 04:16:36 -464.482869 2.5994 BFGS: 9684 04:16:36 -465.412094 2.0090 BFGS: 9685 04:16:36 -455.484956 2.7219 BFGS: 9686 04:16:37 -482.077914 2.1580 BFGS: 9687 04:16:37 -464.915278 2.3351 BFGS: 9688 04:16:37 -465.530376 1.9269 BFGS: 9689 04:16:37 -455.308999 2.7685 BFGS: 9690 04:16:37 -481.993246 2.2023 BFGS: 9691 04:16:37 -464.981446 2.2931 BFGS: 9692 04:16:37 -448.510203 1.8787 BFGS: 9693 04:16:38 -481.698582 2.3433 BFGS: 9694 04:16:38 -482.104369 2.1437 BFGS: 9695 04:16:38 -464.444851 2.6220 BFGS: 9696 04:16:38 -465.388129 2.0254 BFGS: 9697 04:16:38 -455.519280 2.7128 BFGS: 9698 04:16:39 -482.094113 2.1493 BFGS: 9699 04:16:39 -464.901677 2.3437 BFGS: 9700 04:16:39 -465.516599 1.9366 BFGS: 9701 04:16:39 -455.329237 2.7634 BFGS: 9702 04:16:39 -482.003023 2.1972 BFGS: 9703 04:16:39 -464.973118 2.2984 BFGS: 9704 04:16:39 -465.590281 1.8844 BFGS: 9705 04:16:40 -455.217553 2.7923 BFGS: 9706 04:16:40 -481.948103 2.2252 BFGS: 9707 04:16:40 -465.015654 2.2712 BFGS: 9708 04:16:40 -448.533473 1.8539 BFGS: 9709 04:16:40 -481.672045 2.3552 BFGS: 9710 04:16:40 -482.080498 2.1565 BFGS: 9711 04:16:41 -464.483842 2.5988 BFGS: 9712 04:16:41 -465.412473 2.0087 BFGS: 9713 04:16:41 -455.486350 2.7220 BFGS: 9714 04:16:41 -482.077404 2.1582 BFGS: 9715 04:16:41 -464.915638 2.3348 BFGS: 9716 04:16:41 -465.530586 1.9266 BFGS: 9717 04:16:41 -455.310638 2.7685 BFGS: 9718 04:16:42 -481.992852 2.2024 BFGS: 9719 04:16:42 -464.981694 2.2929 BFGS: 9720 04:16:42 -448.510176 1.8785 BFGS: 9721 04:16:42 -481.697970 2.3436 BFGS: 9722 04:16:42 -482.103822 2.1439 BFGS: 9723 04:16:42 -464.445858 2.6213 BFGS: 9724 04:16:42 -465.388543 2.0250 BFGS: 9725 04:16:43 -455.520575 2.7129 BFGS: 9726 04:16:43 -482.093571 2.1495 BFGS: 9727 04:16:43 -464.902044 2.3434 BFGS: 9728 04:16:43 -465.516831 1.9363 BFGS: 9729 04:16:43 -455.330798 2.7634 BFGS: 9730 04:16:43 -482.002605 2.1974 BFGS: 9731 04:16:43 -464.973365 2.2982 BFGS: 9732 04:16:44 -465.590397 1.8842 BFGS: 9733 04:16:44 -455.219294 2.7923 BFGS: 9734 04:16:44 -481.947772 2.2253 BFGS: 9735 04:16:44 -465.015824 2.2710 BFGS: 9736 04:16:44 -448.533409 1.8537 BFGS: 9737 04:16:44 -481.671471 2.3555 BFGS: 9738 04:16:45 -482.079994 2.1567 BFGS: 9739 04:16:45 -464.484734 2.5982 BFGS: 9740 04:16:45 -465.412828 2.0083 BFGS: 9741 04:16:45 -455.487679 2.7220 BFGS: 9742 04:16:45 -482.076892 2.1584 BFGS: 9743 04:16:45 -464.915953 2.3345 BFGS: 9744 04:16:45 -465.530782 1.9264 BFGS: 9745 04:16:46 -455.312204 2.7685 BFGS: 9746 04:16:46 -481.992451 2.2026 BFGS: 9747 04:16:46 -464.981902 2.2927 BFGS: 9748 04:16:46 -448.510141 1.8783 BFGS: 9749 04:16:46 -481.697345 2.3438 BFGS: 9750 04:16:46 -482.103276 2.1441 BFGS: 9751 04:16:46 -464.446792 2.6208 BFGS: 9752 04:16:47 -465.388936 2.0247 BFGS: 9753 04:16:47 -455.521815 2.7130 BFGS: 9754 04:16:47 -482.093028 2.1497 BFGS: 9755 04:16:47 -464.902370 2.3431 BFGS: 9756 04:16:47 -465.517050 1.9360 BFGS: 9757 04:16:48 -455.332295 2.7634 BFGS: 9758 04:16:48 -482.002182 2.1975 BFGS: 9759 04:16:48 -464.973575 2.2980 BFGS: 9760 04:16:48 -465.590502 1.8840 BFGS: 9761 04:16:48 -455.220970 2.7923 BFGS: 9762 04:16:49 -481.947433 2.2254 BFGS: 9763 04:16:49 -465.015958 2.2709 BFGS: 9764 04:16:49 -448.533339 1.8535 BFGS: 9765 04:16:49 -481.670884 2.3557 BFGS: 9766 04:16:49 -482.079491 2.1569 BFGS: 9767 04:16:50 -464.485564 2.5977 BFGS: 9768 04:16:50 -465.413165 2.0080 BFGS: 9769 04:16:50 -455.488962 2.7221 BFGS: 9770 04:16:50 -482.076379 2.1586 BFGS: 9771 04:16:50 -464.916232 2.3343 BFGS: 9772 04:16:50 -465.530965 1.9261 BFGS: 9773 04:16:50 -455.313717 2.7685 BFGS: 9774 04:16:51 -481.992046 2.2027 BFGS: 9775 04:16:51 -464.982076 2.2925 BFGS: 9776 04:16:51 -448.510100 1.8781 BFGS: 9777 04:16:51 -481.696710 2.3441 BFGS: 9778 04:16:51 -482.102733 2.1443 BFGS: 9779 04:16:51 -464.447668 2.6202 BFGS: 9780 04:16:52 -465.389310 2.0243 BFGS: 9781 04:16:52 -455.523017 2.7131 BFGS: 9782 04:16:52 -482.092485 2.1499 BFGS: 9783 04:16:52 -464.902663 2.3429 BFGS: 9784 04:16:52 -465.517257 1.9357 BFGS: 9785 04:16:52 -455.333748 2.7635 BFGS: 9786 04:16:52 -482.001755 2.1977 BFGS: 9787 04:16:53 -464.973755 2.2978 BFGS: 9788 04:16:53 -465.590598 1.8838 BFGS: 9789 04:16:53 -455.222601 2.7923 BFGS: 9790 04:16:53 -481.947090 2.2255 BFGS: 9791 04:16:53 -465.016064 2.2707 BFGS: 9792 04:16:53 -448.533263 1.8534 BFGS: 9793 04:16:54 -481.670290 2.3560 BFGS: 9794 04:16:54 -482.078990 2.1571 BFGS: 9795 04:16:54 -464.486345 2.5972 BFGS: 9796 04:16:54 -465.413485 2.0076 BFGS: 9797 04:16:54 -455.490214 2.7222 BFGS: 9798 04:16:54 -482.075868 2.1588 BFGS: 9799 04:16:54 -464.916481 2.3341 BFGS: 9800 04:16:55 -465.531138 1.9259 BFGS: 9801 04:16:55 -455.315194 2.7686 BFGS: 9802 04:16:55 -481.991640 2.2028 BFGS: 9803 04:16:55 -464.982223 2.2923 BFGS: 9804 04:16:55 -448.510052 1.8779 BFGS: 9805 04:16:55 -481.696070 2.3444 BFGS: 9806 04:16:56 -482.102193 2.1445 BFGS: 9807 04:16:56 -464.448498 2.6197 BFGS: 9808 04:16:56 -465.389668 2.0240 BFGS: 9809 04:16:56 -455.524192 2.7132 BFGS: 9810 04:16:56 -482.091944 2.1501 BFGS: 9811 04:16:56 -464.902928 2.3426 BFGS: 9812 04:16:57 -465.517452 1.9355 BFGS: 9813 04:16:57 -455.335170 2.7635 BFGS: 9814 04:16:57 -482.001327 2.1978 BFGS: 9815 04:16:57 -464.973909 2.2977 BFGS: 9816 04:16:57 -465.590685 1.8836 BFGS: 9817 04:16:58 -455.224200 2.7923 BFGS: 9818 04:16:58 -481.946746 2.2256 BFGS: 9819 04:16:58 -465.016145 2.2706 BFGS: 9820 04:16:58 -448.533181 1.8532 BFGS: 9821 04:16:58 -481.669691 2.3562 BFGS: 9822 04:16:58 -482.078492 2.1573 BFGS: 9823 04:16:59 -464.487086 2.5967 BFGS: 9824 04:16:59 -465.413792 2.0073 BFGS: 9825 04:16:59 -455.491445 2.7223 BFGS: 9826 04:16:59 -482.075357 2.1590 BFGS: 9827 04:16:59 -464.916705 2.3339 BFGS: 9828 04:17:00 -465.531300 1.9256 BFGS: 9829 04:17:00 -455.316647 2.7686 BFGS: 9830 04:17:00 -481.991232 2.2030 BFGS: 9831 04:17:00 -464.982347 2.2922 BFGS: 9832 04:17:00 -448.509998 1.8777 BFGS: 9833 04:17:00 -481.695426 2.3446 BFGS: 9834 04:17:01 -482.101657 2.1447 BFGS: 9835 04:17:01 -464.449291 2.6192 BFGS: 9836 04:17:01 -465.390014 2.0236 BFGS: 9837 04:17:01 -455.525351 2.7133 BFGS: 9838 04:17:01 -482.091405 2.1503 BFGS: 9839 04:17:02 -464.903170 2.3424 BFGS: 9840 04:17:02 -465.517638 1.9352 BFGS: 9841 04:17:02 -455.336572 2.7636 BFGS: 9842 04:17:02 -482.000900 2.1980 BFGS: 9843 04:17:02 -464.974042 2.2975 BFGS: 9844 04:17:03 -465.590764 1.8834 BFGS: 9845 04:17:03 -455.225778 2.7923 BFGS: 9846 04:17:03 -481.946400 2.2257 BFGS: 9847 04:17:03 -465.016206 2.2705 BFGS: 9848 04:17:03 -448.533094 1.8531 BFGS: 9849 04:17:04 -481.669088 2.3565 BFGS: 9850 04:17:04 -482.077997 2.1574 BFGS: 9851 04:17:04 -464.487795 2.5963 BFGS: 9852 04:17:04 -465.414087 2.0070 BFGS: 9853 04:17:04 -455.492662 2.7224 BFGS: 9854 04:17:05 -482.074849 2.1591 BFGS: 9855 04:17:05 -464.916908 2.3337 BFGS: 9856 04:17:05 -465.531452 1.9254 BFGS: 9857 04:17:05 -455.318084 2.7687 BFGS: 9858 04:17:05 -481.990826 2.2031 BFGS: 9859 04:17:05 -464.982452 2.2921 BFGS: 9860 04:17:06 -448.509939 1.8775 BFGS: 9861 04:17:06 -481.694779 2.3449 BFGS: 9862 04:17:06 -482.101123 2.1449 BFGS: 9863 04:17:06 -464.450056 2.6187 BFGS: 9864 04:17:06 -465.390348 2.0233 BFGS: 9865 04:17:07 -455.526499 2.7134 BFGS: 9866 04:17:07 -482.090868 2.1505 BFGS: 9867 04:17:07 -464.903392 2.3422 BFGS: 9868 04:17:07 -465.517815 1.9350 BFGS: 9869 04:17:07 -455.337962 2.7636 BFGS: 9870 04:17:07 -482.000473 2.1981 BFGS: 9871 04:17:08 -464.974157 2.2974 BFGS: 9872 04:17:08 -465.590834 1.8832 BFGS: 9873 04:17:08 -455.227344 2.7923 BFGS: 9874 04:17:08 -481.946055 2.2258 BFGS: 9875 04:17:08 -465.016250 2.2704 BFGS: 9876 04:17:09 -448.533001 1.8529 BFGS: 9877 04:17:09 -481.668483 2.3567 BFGS: 9878 04:17:09 -482.077504 2.1576 BFGS: 9879 04:17:09 -464.488480 2.5958 BFGS: 9880 04:17:09 -465.414372 2.0067 BFGS: 9881 04:17:10 -455.493873 2.7225 BFGS: 9882 04:17:10 -482.074343 2.1593 BFGS: 9883 04:17:10 -464.917094 2.3335 BFGS: 9884 04:17:10 -465.531597 1.9252 BFGS: 9885 04:17:10 -455.319513 2.7687 BFGS: 9886 04:17:11 -481.990421 2.2033 BFGS: 9887 04:17:11 -464.982539 2.2919 BFGS: 9888 04:17:11 -448.509874 1.8774 BFGS: 9889 04:17:11 -481.694131 2.3452 BFGS: 9890 04:17:11 -482.100593 2.1451 BFGS: 9891 04:17:12 -464.450797 2.6182 BFGS: 9892 04:17:12 -465.390673 2.0230 BFGS: 9893 04:17:12 -455.527642 2.7135 BFGS: 9894 04:17:12 -482.090333 2.1507 BFGS: 9895 04:17:12 -464.903598 2.3420 BFGS: 9896 04:17:12 -465.517984 1.9347 BFGS: 9897 04:17:13 -455.339345 2.7637 BFGS: 9898 04:17:13 -482.000048 2.1983 BFGS: 9899 04:17:13 -464.974255 2.2972 BFGS: 9900 04:17:13 -465.590898 1.8830 BFGS: 9901 04:17:13 -455.228904 2.7923 BFGS: 9902 04:17:14 -481.945712 2.2259 BFGS: 9903 04:17:14 -465.016277 2.2703 BFGS: 9904 04:17:14 -448.532904 1.8528 BFGS: 9905 04:17:14 -481.667877 2.3569 BFGS: 9906 04:17:15 -482.077015 2.1578 BFGS: 9907 04:17:15 -464.489145 2.5954 BFGS: 9908 04:17:15 -465.414649 2.0064 BFGS: 9909 04:17:15 -455.495080 2.7225 BFGS: 9910 04:17:15 -482.073840 2.1595 BFGS: 9911 04:17:15 -464.917264 2.3333 BFGS: 9912 04:17:16 -465.531734 1.9249 BFGS: 9913 04:17:16 -455.320938 2.7687 BFGS: 9914 04:17:16 -481.990018 2.2034 BFGS: 9915 04:17:16 -464.982612 2.2918 BFGS: 9916 04:17:16 -448.509805 1.8772 BFGS: 9917 04:17:16 -481.693482 2.3454 BFGS: 9918 04:17:17 -482.100065 2.1453 BFGS: 9919 04:17:17 -464.451520 2.6178 BFGS: 9920 04:17:17 -465.390990 2.0226 BFGS: 9921 04:17:17 -455.528783 2.7136 BFGS: 9922 04:17:17 -482.089802 2.1509 BFGS: 9923 04:17:17 -464.903789 2.3419 BFGS: 9924 04:17:18 -465.518146 1.9345 BFGS: 9925 04:17:18 -455.340726 2.7637 BFGS: 9926 04:17:18 -481.999626 2.1984 BFGS: 9927 04:17:18 -464.974340 2.2971 BFGS: 9928 04:17:18 -465.590954 1.8828 BFGS: 9929 04:17:18 -455.230461 2.7924 BFGS: 9930 04:17:19 -481.945371 2.2260 BFGS: 9931 04:17:19 -465.016291 2.2702 BFGS: 9932 04:17:19 -448.532801 1.8527 BFGS: 9933 04:17:19 -481.667271 2.3572 BFGS: 9934 04:17:20 -482.076530 2.1580 BFGS: 9935 04:17:20 -464.489793 2.5950 BFGS: 9936 04:17:20 -465.414917 2.0061 BFGS: 9937 04:17:20 -455.496286 2.7226 BFGS: 9938 04:17:20 -482.073340 2.1597 BFGS: 9939 04:17:20 -464.917421 2.3332 BFGS: 9940 04:17:21 -465.531864 1.9247 BFGS: 9941 04:17:21 -455.322362 2.7688 BFGS: 9942 04:17:21 -481.989617 2.2035 BFGS: 9943 04:17:21 -464.982672 2.2917 BFGS: 9944 04:17:21 -448.509730 1.8771 BFGS: 9945 04:17:22 -481.692833 2.3457 BFGS: 9946 04:17:22 -482.099541 2.1455 BFGS: 9947 04:17:22 -464.452228 2.6173 BFGS: 9948 04:17:22 -465.391299 2.0223 BFGS: 9949 04:17:22 -455.529925 2.7137 BFGS: 9950 04:17:22 -482.089272 2.1511 BFGS: 9951 04:17:23 -464.903968 2.3417 BFGS: 9952 04:17:23 -465.518301 1.9343 BFGS: 9953 04:17:23 -455.342108 2.7638 BFGS: 9954 04:17:23 -481.999206 2.1986 BFGS: 9955 04:17:24 -464.974412 2.2970 BFGS: 9956 04:17:24 -465.591004 1.8827 BFGS: 9957 04:17:24 -455.232020 2.7924 BFGS: 9958 04:17:24 -481.945032 2.2261 BFGS: 9959 04:17:24 -465.016293 2.2702 BFGS: 9960 04:17:24 -448.532694 1.8525 BFGS: 9961 04:17:25 -481.666665 2.3574 BFGS: 9962 04:17:25 -482.076047 2.1581 BFGS: 9963 04:17:25 -464.490429 2.5946 BFGS: 9964 04:17:25 -465.415179 2.0058 BFGS: 9965 04:17:25 -455.497495 2.7227 BFGS: 9966 04:17:26 -482.072842 2.1599 BFGS: 9967 04:17:26 -464.917565 2.3330 BFGS: 9968 04:17:26 -465.531988 1.9245 BFGS: 9969 04:17:26 -455.323789 2.7688 BFGS: 9970 04:17:26 -481.989219 2.2036 BFGS: 9971 04:17:27 -464.982720 2.2916 BFGS: 9972 04:17:27 -448.509651 1.8769 BFGS: 9973 04:17:27 -481.692184 2.3459 BFGS: 9974 04:17:27 -482.099021 2.1457 BFGS: 9975 04:17:28 -464.452924 2.6169 BFGS: 9976 04:17:28 -465.391601 2.0220 BFGS: 9977 04:17:28 -455.531070 2.7138 BFGS: 9978 04:17:28 -482.088746 2.1513 BFGS: 9979 04:17:28 -464.904135 2.3415 BFGS: 9980 04:17:29 -465.518450 1.9341 BFGS: 9981 04:17:29 -455.343493 2.7638 BFGS: 9982 04:17:29 -481.998788 2.1987 BFGS: 9983 04:17:29 -464.974473 2.2969 BFGS: 9984 04:17:29 -465.591048 1.8825 BFGS: 9985 04:17:29 -455.233582 2.7924 BFGS: 9986 04:17:30 -481.944696 2.2262 BFGS: 9987 04:17:30 -465.016284 2.2701 BFGS: 9988 04:17:30 -448.532583 1.8524 BFGS: 9989 04:17:30 -481.666059 2.3577 BFGS: 9990 04:17:30 -482.075567 2.1583 BFGS: 9991 04:17:31 -464.491053 2.5942 BFGS: 9992 04:17:31 -465.415435 2.0055 BFGS: 9993 04:17:31 -455.498708 2.7228 BFGS: 9994 04:17:31 -482.072347 2.1600 BFGS: 9995 04:17:31 -464.917699 2.3329 BFGS: 9996 04:17:32 -465.532106 1.9243 BFGS: 9997 04:17:32 -455.325220 2.7689 BFGS: 9998 04:17:32 -481.988823 2.2038 BFGS: 9999 04:17:32 -464.982757 2.2915 BFGS: 10000 04:17:32 -448.509567 1.8768 Minimization converged after hitting the maximum of 10000 steps. Maximum force component: 1.5928706120355753 eV/Angstrom Maximum stress component: 0.013210345744246713 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[2.28402201e-30 5.99191473e-01 9.23708776e-02] [1.99605787e-30 4.00808527e-01 9.23708776e-02] [0.00000000e+00 5.99191473e-01 9.07629122e-01] [0.00000000e+00 4.00808527e-01 9.07629122e-01] [5.00000000e-01 9.91914730e-02 5.92370878e-01] [5.00000000e-01 9.00808527e-01 5.92370878e-01] [5.00000000e-01 9.91914730e-02 4.07629122e-01] [5.00000000e-01 9.00808527e-01 4.07629122e-01] [7.62486294e-01 9.20411715e-01 1.94349764e-16] [2.37513706e-01 7.95882847e-02 1.94349764e-16] [2.37513706e-01 9.20411715e-01 1.94349764e-16] [7.62486294e-01 7.95882847e-02 1.94349764e-16] [2.62486294e-01 4.20411715e-01 5.00000000e-01] [7.37513706e-01 5.79588285e-01 5.00000000e-01] [7.37513706e-01 4.20411715e-01 5.00000000e-01] [2.62486294e-01 5.79588285e-01 5.00000000e-01] [9.44537363e-01 0.00000000e+00 4.00818722e-01] [5.54626366e-02 0.00000000e+00 4.00818722e-01] [5.54626366e-02 0.00000000e+00 5.99181278e-01] [9.44537363e-01 0.00000000e+00 5.99181278e-01] [4.44537363e-01 5.00000000e-01 9.00818722e-01] [5.55462637e-01 5.00000000e-01 9.00818722e-01] [5.55462637e-01 5.00000000e-01 9.91812777e-02] [4.44537363e-01 5.00000000e-01 9.91812777e-02] [3.67307214e-01 4.09295567e-01 7.81183424e-01] [6.32692786e-01 5.90704433e-01 7.81183424e-01] [6.32692786e-01 4.09295567e-01 2.18816576e-01] [3.67307214e-01 5.90704433e-01 2.18816576e-01] [8.67307214e-01 9.09295567e-01 2.81183424e-01] [1.32692786e-01 9.07044327e-02 2.81183424e-01] [1.32692786e-01 9.09295567e-01 7.18816576e-01] [8.67307214e-01 9.07044327e-02 7.18816576e-01] [6.32692786e-01 5.90704433e-01 2.18816576e-01] [3.67307214e-01 4.09295567e-01 2.18816576e-01] [3.67307214e-01 5.90704433e-01 7.81183424e-01] [6.32692786e-01 4.09295567e-01 7.81183424e-01] [1.32692786e-01 9.07044327e-02 7.18816576e-01] [8.67307214e-01 9.09295567e-01 7.18816576e-01] [8.67307214e-01 9.07044327e-02 2.81183424e-01] [1.32692786e-01 9.09295567e-01 2.81183424e-01] [4.45981320e-01 3.15345315e-01 8.96773195e-01] [5.54018680e-01 6.84654685e-01 8.96773195e-01] [5.54018680e-01 3.15345315e-01 1.03226805e-01] [4.45981320e-01 6.84654685e-01 1.03226805e-01] [9.45981320e-01 8.15345315e-01 3.96773195e-01] [5.40186797e-02 1.84654685e-01 3.96773195e-01] [5.40186797e-02 8.15345315e-01 6.03226805e-01] [9.45981320e-01 1.84654685e-01 6.03226805e-01] [5.54018680e-01 6.84654685e-01 1.03226805e-01] [4.45981320e-01 3.15345315e-01 1.03226805e-01] [4.45981320e-01 6.84654685e-01 8.96773195e-01] [5.54018680e-01 3.15345315e-01 8.96773195e-01] [5.40186797e-02 1.84654685e-01 6.03226805e-01] [9.45981320e-01 8.15345315e-01 6.03226805e-01] [9.45981320e-01 1.84654685e-01 3.96773195e-01] [5.40186797e-02 8.15345315e-01 3.96773195e-01] [3.39913891e-01 3.40730761e-01 6.06707059e-01] [6.60086109e-01 6.59269239e-01 6.06707059e-01] [6.60086109e-01 3.40730761e-01 3.93292941e-01] [3.39913891e-01 6.59269239e-01 3.93292941e-01] [8.39913891e-01 8.40730761e-01 1.06707059e-01] [1.60086109e-01 1.59269239e-01 1.06707059e-01] [1.60086109e-01 8.40730761e-01 8.93292941e-01] [8.39913891e-01 1.59269239e-01 8.93292941e-01] [6.60086109e-01 6.59269239e-01 3.93292941e-01] [3.39913891e-01 3.40730761e-01 3.93292941e-01] [3.39913891e-01 6.59269239e-01 6.06707059e-01] [6.60086109e-01 3.40730761e-01 6.06707059e-01] [1.60086109e-01 1.59269239e-01 8.93292941e-01] [8.39913891e-01 8.40730761e-01 8.93292941e-01] [8.39913891e-01 1.59269239e-01 1.06707059e-01] [1.60086109e-01 8.40730761e-01 1.06707059e-01] [4.40815046e-01 2.64955836e-01 6.93499683e-01] [5.59184954e-01 7.35044164e-01 6.93499683e-01] [5.59184954e-01 2.64955836e-01 3.06500317e-01] [4.40815046e-01 7.35044164e-01 3.06500317e-01] [9.40815046e-01 7.64955836e-01 1.93499683e-01] [5.91849538e-02 2.35044164e-01 1.93499683e-01] [5.91849538e-02 7.64955836e-01 8.06500317e-01] [9.40815046e-01 2.35044164e-01 8.06500317e-01] [5.59184954e-01 7.35044164e-01 3.06500317e-01] [4.40815046e-01 2.64955836e-01 3.06500317e-01] [4.40815046e-01 7.35044164e-01 6.93499683e-01] [5.59184954e-01 2.64955836e-01 6.93499683e-01] [5.91849538e-02 2.35044164e-01 8.06500317e-01] [9.40815046e-01 7.64955836e-01 8.06500317e-01] [9.40815046e-01 2.35044164e-01 1.93499683e-01] [5.91849538e-02 7.64955836e-01 1.93499683e-01] [3.27846038e-01 1.61088801e-01 5.95907763e-01] [6.72153962e-01 8.38911199e-01 5.95907763e-01] [6.72153962e-01 1.61088801e-01 4.04092237e-01] [3.27846038e-01 8.38911199e-01 4.04092237e-01] [8.27846038e-01 6.61088801e-01 9.59077633e-02] [1.72153962e-01 3.38911199e-01 9.59077633e-02] [1.72153962e-01 6.61088801e-01 9.04092237e-01] [8.27846038e-01 3.38911199e-01 9.04092237e-01] [6.72153962e-01 8.38911199e-01 4.04092237e-01] [3.27846038e-01 1.61088801e-01 4.04092237e-01] [3.27846038e-01 8.38911199e-01 5.95907763e-01] [6.72153962e-01 1.61088801e-01 5.95907763e-01] [1.72153962e-01 3.38911199e-01 9.04092237e-01] [8.27846038e-01 6.61088801e-01 9.04092237e-01] [8.27846038e-01 3.38911199e-01 9.59077633e-02] [1.72153962e-01 6.61088801e-01 9.59077633e-02] [4.05031978e-01 8.69732447e-02 6.89600385e-01] [5.94968022e-01 9.13026755e-01 6.89600385e-01] [5.94968022e-01 8.69732447e-02 3.10399615e-01] [4.05031978e-01 9.13026755e-01 3.10399615e-01] [9.05031978e-01 5.86973245e-01 1.89600385e-01] [9.49680218e-02 4.13026755e-01 1.89600385e-01] [9.49680218e-02 5.86973245e-01 8.10399615e-01] [9.05031978e-01 4.13026755e-01 8.10399615e-01] [5.94968022e-01 9.13026755e-01 3.10399615e-01] [4.05031978e-01 8.69732447e-02 3.10399615e-01] [4.05031978e-01 9.13026755e-01 6.89600385e-01] [5.94968022e-01 8.69732447e-02 6.89600385e-01] [9.49680218e-02 4.13026755e-01 8.10399615e-01] [9.05031978e-01 5.86973245e-01 8.10399615e-01] [9.05031978e-01 4.13026755e-01 1.89600385e-01] [9.49680218e-02 5.86973245e-01 1.89600385e-01]] cellpar = Cell([[16.003514136901536, 0.0, 0.0], [0.0, 9.740702128361141, -2.586753565284576e-32], [0.0, 2.1395515358551513e-31, 8.745779615791347]]) forces = [[ 0.00000000e+00 -7.88470050e-01 9.03316106e-01] [ 0.00000000e+00 7.88470050e-01 9.03316106e-01] [ 0.00000000e+00 -7.88470050e-01 -9.03316106e-01] [ 0.00000000e+00 7.88470050e-01 -9.03316106e-01] [ 0.00000000e+00 -7.88470050e-01 9.03316106e-01] [ 0.00000000e+00 7.88470050e-01 9.03316106e-01] [ 0.00000000e+00 -7.88470050e-01 -9.03316106e-01] [ 0.00000000e+00 7.88470050e-01 -9.03316106e-01] [-2.38468045e-03 1.63407134e-01 -8.62834399e-31] [ 2.38468045e-03 -1.63407134e-01 4.33946117e-34] [ 2.38468045e-03 1.63407134e-01 8.61966507e-31] [-2.38468045e-03 -1.63407134e-01 4.31634173e-31] [-2.38468045e-03 1.63407134e-01 -4.33946117e-34] [ 2.38468045e-03 -1.63407134e-01 8.62834399e-31] [ 2.38468045e-03 1.63407134e-01 -4.33946117e-34] [-2.38468045e-03 -1.63407134e-01 8.62834399e-31] [ 2.36922345e-01 -1.32256002e-32 -5.40618827e-01] [-2.36922345e-01 -7.69728470e-30 -5.40618827e-01] [-2.36922345e-01 -7.67083350e-30 5.40618827e-01] [ 2.36922345e-01 1.32256002e-32 5.40618827e-01] [ 2.36922345e-01 -1.32256002e-32 -5.40618827e-01] [-2.36922345e-01 -7.69728470e-30 -5.40618827e-01] [-2.36922345e-01 -7.67083350e-30 5.40618827e-01] [ 2.36922345e-01 1.32256002e-32 5.40618827e-01] [-2.59995257e-01 2.04356431e-01 4.78463114e-01] [ 2.59995257e-01 -2.04356431e-01 4.78463114e-01] [ 2.59995257e-01 2.04356431e-01 -4.78463114e-01] [-2.59995257e-01 -2.04356431e-01 -4.78463114e-01] [-2.59995257e-01 2.04356431e-01 4.78463114e-01] [ 2.59995257e-01 -2.04356431e-01 4.78463114e-01] [ 2.59995257e-01 2.04356431e-01 -4.78463114e-01] [-2.59995257e-01 -2.04356431e-01 -4.78463114e-01] [ 2.59995257e-01 -2.04356431e-01 -4.78463114e-01] [-2.59995257e-01 2.04356431e-01 -4.78463114e-01] [-2.59995257e-01 -2.04356431e-01 4.78463114e-01] [ 2.59995257e-01 2.04356431e-01 4.78463114e-01] [ 2.59995257e-01 -2.04356431e-01 -4.78463114e-01] [-2.59995257e-01 2.04356431e-01 -4.78463114e-01] [-2.59995257e-01 -2.04356431e-01 4.78463114e-01] [ 2.59995257e-01 2.04356431e-01 4.78463114e-01] [-1.29420558e+00 -2.69417912e-01 -1.23018589e+00] [ 1.29420558e+00 2.69417912e-01 -1.23018589e+00] [ 1.29420558e+00 -2.69417912e-01 1.23018589e+00] [-1.29420558e+00 2.69417912e-01 1.23018589e+00] [-1.29420558e+00 -2.69417912e-01 -1.23018589e+00] [ 1.29420558e+00 2.69417912e-01 -1.23018589e+00] [ 1.29420558e+00 -2.69417912e-01 1.23018589e+00] [-1.29420558e+00 2.69417912e-01 1.23018589e+00] [ 1.29420558e+00 2.69417912e-01 1.23018589e+00] [-1.29420558e+00 -2.69417912e-01 1.23018589e+00] [-1.29420558e+00 2.69417912e-01 -1.23018589e+00] [ 1.29420558e+00 -2.69417912e-01 -1.23018589e+00] [ 1.29420558e+00 2.69417912e-01 1.23018589e+00] [-1.29420558e+00 -2.69417912e-01 1.23018589e+00] [-1.29420558e+00 2.69417912e-01 -1.23018589e+00] [ 1.29420558e+00 -2.69417912e-01 -1.23018589e+00] [ 3.78369049e-01 7.27475164e-01 4.79151638e-02] [-3.78369049e-01 -7.27475164e-01 4.79151638e-02] [-3.78369049e-01 7.27475164e-01 -4.79151638e-02] [ 3.78369049e-01 -7.27475164e-01 -4.79151638e-02] [ 3.78369049e-01 7.27475164e-01 4.79151638e-02] [-3.78369049e-01 -7.27475164e-01 4.79151638e-02] [-3.78369049e-01 7.27475164e-01 -4.79151638e-02] [ 3.78369049e-01 -7.27475164e-01 -4.79151638e-02] [-3.78369049e-01 -7.27475164e-01 -4.79151638e-02] [ 3.78369049e-01 7.27475164e-01 -4.79151638e-02] [ 3.78369049e-01 -7.27475164e-01 4.79151638e-02] [-3.78369049e-01 7.27475164e-01 4.79151638e-02] [-3.78369049e-01 -7.27475164e-01 -4.79151638e-02] [ 3.78369049e-01 7.27475164e-01 -4.79151638e-02] [ 3.78369049e-01 -7.27475164e-01 4.79151638e-02] [-3.78369049e-01 7.27475164e-01 4.79151638e-02] [ 2.95481271e-01 -5.29168269e-02 3.08216518e-01] [-2.95481271e-01 5.29168269e-02 3.08216518e-01] [-2.95481271e-01 -5.29168269e-02 -3.08216518e-01] [ 2.95481271e-01 5.29168269e-02 -3.08216518e-01] [ 2.95481271e-01 -5.29168269e-02 3.08216518e-01] [-2.95481271e-01 5.29168269e-02 3.08216518e-01] [-2.95481271e-01 -5.29168269e-02 -3.08216518e-01] [ 2.95481271e-01 5.29168269e-02 -3.08216518e-01] [-2.95481271e-01 5.29168269e-02 -3.08216518e-01] [ 2.95481271e-01 -5.29168269e-02 -3.08216518e-01] [ 2.95481271e-01 5.29168269e-02 3.08216518e-01] [-2.95481271e-01 -5.29168269e-02 3.08216518e-01] [-2.95481271e-01 5.29168269e-02 -3.08216518e-01] [ 2.95481271e-01 -5.29168269e-02 -3.08216518e-01] [ 2.95481271e-01 5.29168269e-02 3.08216518e-01] [-2.95481271e-01 -5.29168269e-02 3.08216518e-01] [-1.16261287e-01 -1.01123607e+00 1.59287061e+00] [ 1.16261287e-01 1.01123607e+00 1.59287061e+00] [ 1.16261287e-01 -1.01123607e+00 -1.59287061e+00] [-1.16261287e-01 1.01123607e+00 -1.59287061e+00] [-1.16261287e-01 -1.01123607e+00 1.59287061e+00] [ 1.16261287e-01 1.01123607e+00 1.59287061e+00] [ 1.16261287e-01 -1.01123607e+00 -1.59287061e+00] [-1.16261287e-01 1.01123607e+00 -1.59287061e+00] [ 1.16261287e-01 1.01123607e+00 -1.59287061e+00] [-1.16261287e-01 -1.01123607e+00 -1.59287061e+00] [-1.16261287e-01 1.01123607e+00 1.59287061e+00] [ 1.16261287e-01 -1.01123607e+00 1.59287061e+00] [ 1.16261287e-01 1.01123607e+00 -1.59287061e+00] [-1.16261287e-01 -1.01123607e+00 -1.59287061e+00] [-1.16261287e-01 1.01123607e+00 1.59287061e+00] [ 1.16261287e-01 -1.01123607e+00 1.59287061e+00] [ 8.26669251e-01 -5.16765922e-01 -5.42215580e-01] [-8.26669251e-01 5.16765922e-01 -5.42215580e-01] [-8.26669251e-01 -5.16765922e-01 5.42215580e-01] [ 8.26669251e-01 5.16765922e-01 5.42215580e-01] [ 8.26669251e-01 -5.16765922e-01 -5.42215580e-01] [-8.26669251e-01 5.16765922e-01 -5.42215580e-01] [-8.26669251e-01 -5.16765922e-01 5.42215580e-01] [ 8.26669251e-01 5.16765922e-01 5.42215580e-01] [-8.26669251e-01 5.16765922e-01 5.42215580e-01] [ 8.26669251e-01 -5.16765922e-01 5.42215580e-01] [ 8.26669251e-01 5.16765922e-01 -5.42215580e-01] [-8.26669251e-01 -5.16765922e-01 -5.42215580e-01] [-8.26669251e-01 5.16765922e-01 5.42215580e-01] [ 8.26669251e-01 -5.16765922e-01 5.42215580e-01] [ 8.26669251e-01 5.16765922e-01 -5.42215580e-01] [-8.26669251e-01 -5.16765922e-01 -5.42215580e-01]] stress = [ 7.21740322e-03 1.32103457e-02 -1.27047261e-02 8.68628175e-33 0.00000000e+00 0.00000000e+00] energy per atom = -3.7375797284999246 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0