Enter the name of the KIM Model you wish to perform calculations for: Enter the name of the species you wish to simulate: Enter the lattice type of the crystal ('bcc', 'diamond', 'fcc', 'hcp', or 'sc'): Enter the lattice constant 'a' in meters: If the lattice type is hcp, enter the lattice constant 'c' in meters (if you are not using hcp as the lattice, simply put any value here, as it will be ignored): Parameters Input: Co IMD_EAM_Schopf_AlNiCo_B__MO_128037485276_002 hcp [2.8544714399999997, 4.722471720190001] Cell Size Min: 5 Cell Size Max: 7 Smallest System Size: 250 Largest System Size: 686 [Calculation] Calculating Size 5 ... Step Time Energy fmax MDMin: 0 23:03:09 -575.866411 1.7265 MDMin: 1 23:03:09 -577.057353 1.5981 MDMin: 2 23:03:09 -579.765797 1.3145 MDMin: 3 23:03:10 -583.130569 1.1892 MDMin: 4 23:03:10 -584.687952 1.3487 MDMin: 5 23:03:10 -584.830228 1.1782 MDMin: 6 23:03:11 -584.905547 1.5838 MDMin: 7 23:03:11 -584.984485 0.9185 MDMin: 8 23:03:11 -585.013997 0.9860 MDMin: 9 23:03:12 -585.040086 1.0634 MDMin: 10 23:03:12 -585.074850 0.9445 MDMin: 11 23:03:12 -585.116607 0.7471 MDMin: 12 23:03:13 -585.160403 0.8228 MDMin: 13 23:03:13 -585.211339 0.8768 MDMin: 14 23:03:13 -585.271418 0.8268 MDMin: 15 23:03:13 -585.327281 0.7894 MDMin: 16 23:03:14 -585.368530 0.6637 MDMin: 17 23:03:14 -585.402230 0.6490 MDMin: 18 23:03:14 -585.434100 0.5771 MDMin: 19 23:03:15 -585.460054 0.8024 MDMin: 20 23:03:15 -585.477619 0.8143 MDMin: 21 23:03:15 -585.490582 0.6345 MDMin: 22 23:03:15 -585.502343 0.6770 MDMin: 23 23:03:16 -585.513035 0.9626 MDMin: 24 23:03:16 -585.521045 1.0075 MDMin: 25 23:03:16 -585.526942 0.6877 MDMin: 26 23:03:17 -585.532494 0.7487 MDMin: 27 23:03:17 -585.538138 0.9380 MDMin: 28 23:03:17 -585.542887 1.1339 MDMin: 29 23:03:17 -585.546434 1.1271 MDMin: 30 23:03:18 -585.549710 1.0697 MDMin: 31 23:03:18 -585.553235 0.9126 MDMin: 32 23:03:18 -585.556557 1.1212 MDMin: 33 23:03:18 -585.559192 0.9732 MDMin: 34 23:03:19 -585.561606 0.7718 MDMin: 35 23:03:19 -585.564296 0.8439 MDMin: 36 23:03:19 -585.567081 1.0937 MDMin: 37 23:03:20 -585.569506 1.1222 MDMin: 38 23:03:20 -585.571639 0.9201 MDMin: 39 23:03:20 -585.573932 0.9158 MDMin: 40 23:03:20 -585.576461 1.1371 MDMin: 41 23:03:21 -585.578922 1.2826 MDMin: 42 23:03:21 -585.581121 1.1461 MDMin: 43 23:03:21 -585.583346 1.0363 MDMin: 44 23:03:22 -585.585858 1.1509 MDMin: 45 23:03:22 -585.588531 1.3009 MDMin: 46 23:03:22 -585.591093 1.2656 MDMin: 47 23:03:23 -585.593645 1.1084 MDMin: 48 23:03:23 -585.596551 1.1249 MDMin: 49 23:03:23 -585.599898 1.2522 MDMin: 50 23:03:23 -585.603471 1.3649 MDMin: 51 23:03:24 -585.607153 1.2618 MDMin: 52 23:03:24 -585.611240 1.1791 MDMin: 53 23:03:24 -585.616108 1.2248 MDMin: 54 23:03:24 -585.621728 1.3606 MDMin: 55 23:03:25 -585.627774 1.2993 MDMin: 56 23:03:25 -585.634432 1.1490 MDMin: 57 23:03:25 -585.642528 1.1517 MDMin: 58 23:03:26 -585.652415 1.2942 MDMin: 59 23:03:26 -585.663493 1.3199 MDMin: 60 23:03:26 -585.675486 1.1387 MDMin: 61 23:03:26 -585.689880 1.4826 MDMin: 62 23:03:26 -585.707960 1.6750 MDMin: 63 23:03:27 -585.729019 1.4821 MDMin: 64 23:03:27 -585.750895 1.2359 MDMin: 65 23:03:27 -585.774270 1.0475 MDMin: 66 23:03:28 -585.803190 1.0540 MDMin: 67 23:03:28 -585.808510 1.1985 MDMin: 68 23:03:28 -585.812897 1.2305 MDMin: 69 23:03:28 -585.816711 1.0953 MDMin: 70 23:03:29 -585.820748 1.0438 MDMin: 71 23:03:29 -585.825272 1.1719 MDMin: 72 23:03:29 -585.830010 1.3004 MDMin: 73 23:03:29 -585.834674 1.2122 MDMin: 74 23:03:30 -585.839679 1.0792 MDMin: 75 23:03:30 -585.845608 1.1482 MDMin: 76 23:03:30 -585.852415 1.2957 MDMin: 77 23:03:30 -585.859568 1.2558 MDMin: 78 23:03:31 -585.867281 1.0902 MDMin: 79 23:03:31 -585.876451 1.1174 MDMin: 80 23:03:31 -585.887181 1.2849 MDMin: 81 23:03:31 -585.898544 1.3389 MDMin: 82 23:03:32 -585.910163 1.2028 MDMin: 83 23:03:32 -585.923007 1.1539 MDMin: 84 23:03:32 -585.937805 1.2290 MDMin: 85 23:03:33 -585.954043 1.2726 MDMin: 86 23:03:33 -585.971243 1.1588 MDMin: 87 23:03:33 -585.990939 1.0885 MDMin: 88 23:03:33 -586.015273 1.1359 MDMin: 89 23:03:34 -586.044531 1.2026 MDMin: 90 23:03:34 -586.076835 1.1448 MDMin: 91 23:03:34 -586.111406 1.0573 MDMin: 92 23:03:34 -586.148814 1.0542 MDMin: 93 23:03:35 -586.187130 1.1141 MDMin: 94 23:03:35 -586.222968 1.0986 MDMin: 95 23:03:35 -586.256362 1.0096 MDMin: 96 23:03:35 -586.290244 0.9703 MDMin: 97 23:03:35 -586.325890 1.0281 MDMin: 98 23:03:36 -586.361742 1.0744 MDMin: 99 23:03:36 -586.396865 1.0240 MDMin: 100 23:03:36 -586.433535 0.9856 MDMin: 101 23:03:36 -586.474174 1.0428 MDMin: 102 23:03:36 -586.518272 1.1194 MDMin: 103 23:03:37 -586.563782 1.1065 MDMin: 104 23:03:37 -586.611589 1.0609 MDMin: 105 23:03:37 -586.665003 1.4167 MDMin: 106 23:03:37 -586.724772 1.6742 MDMin: 107 23:03:38 -586.788673 1.5917 MDMin: 108 23:03:38 -586.853483 1.3294 MDMin: 109 23:03:38 -586.900578 1.0813 MDMin: 110 23:03:38 -586.945528 1.1044 MDMin: 111 23:03:38 -586.990664 1.2348 MDMin: 112 23:03:39 -587.033616 1.2468 MDMin: 113 23:03:39 -587.075235 1.1177 MDMin: 114 23:03:39 -587.120022 1.1197 MDMin: 115 23:03:39 -587.169461 1.2575 MDMin: 116 23:03:40 -587.220366 1.3330 MDMin: 117 23:03:40 -587.270412 1.2161 MDMin: 118 23:03:40 -587.323701 1.1501 MDMin: 119 23:03:41 -587.384848 1.2225 MDMin: 120 23:03:41 -587.452449 1.3097 MDMin: 121 23:03:41 -587.520724 1.2330 MDMin: 122 23:03:41 -587.590601 1.1339 MDMin: 123 23:03:42 -587.666058 1.1544 MDMin: 124 23:03:42 -587.744317 1.2556 MDMin: 125 23:03:42 -587.818710 1.2528 MDMin: 126 23:03:42 -587.889363 1.1434 MDMin: 127 23:03:43 -587.962598 1.1002 MDMin: 128 23:03:43 -588.039809 1.1821 MDMin: 129 23:03:43 -588.114953 1.2280 MDMin: 130 23:03:43 -588.184106 1.1118 MDMin: 131 23:03:44 -588.253739 0.9923 MDMin: 132 23:03:44 -588.330203 1.0410 MDMin: 133 23:03:44 -588.411544 1.1479 MDMin: 134 23:03:45 -588.492355 1.1055 MDMin: 135 23:03:45 -588.576492 0.9719 MDMin: 136 23:03:45 -588.675409 0.9803 MDMin: 137 23:03:45 -588.790989 1.1044 MDMin: 138 23:03:46 -588.908346 1.1320 MDMin: 139 23:03:46 -589.016803 1.0032 MDMin: 140 23:03:46 -589.121649 0.9544 MDMin: 141 23:03:46 -589.223143 1.0465 MDMin: 142 23:03:47 -589.312078 1.1241 MDMin: 143 23:03:47 -589.385050 1.0584 MDMin: 144 23:03:47 -589.449671 0.9665 MDMin: 145 23:03:47 -589.513194 0.9947 MDMin: 146 23:03:47 -589.575449 1.0803 MDMin: 147 23:03:48 -589.632821 1.0767 MDMin: 148 23:03:48 -589.685593 0.9547 MDMin: 149 23:03:48 -589.738794 0.9037 MDMin: 150 23:03:48 -589.793784 0.9729 MDMin: 151 23:03:49 -589.846319 1.0604 MDMin: 152 23:03:49 -589.893163 0.9965 MDMin: 153 23:03:49 -589.937796 0.9075 MDMin: 154 23:03:49 -589.984412 0.9445 MDMin: 155 23:03:50 -590.032534 1.0786 MDMin: 156 23:03:50 -590.079073 1.0779 MDMin: 157 23:03:50 -590.125231 0.9364 MDMin: 158 23:03:50 -590.178281 0.9037 MDMin: 159 23:03:50 -590.244170 1.0173 MDMin: 160 23:03:51 -590.322459 1.0754 MDMin: 161 23:03:51 -590.409437 0.9755 MDMin: 162 23:03:51 -590.505483 0.9048 MDMin: 163 23:03:51 -590.607124 0.9808 MDMin: 164 23:03:52 -590.698938 1.0634 MDMin: 165 23:03:52 -590.771395 1.0292 MDMin: 166 23:03:52 -590.830458 0.9333 MDMin: 167 23:03:52 -590.883346 0.9547 MDMin: 168 23:03:53 -590.930371 1.0462 MDMin: 169 23:03:53 -590.969551 1.1184 MDMin: 170 23:03:53 -591.001682 1.0347 MDMin: 171 23:03:53 -591.030580 0.9695 MDMin: 172 23:03:54 -591.058582 1.0254 MDMin: 173 23:03:54 -591.084918 1.1692 MDMin: 174 23:03:54 -591.108124 1.1486 MDMin: 175 23:03:55 -591.129577 1.0267 MDMin: 176 23:03:55 -591.152311 1.0294 MDMin: 177 23:03:55 -591.177574 1.1866 MDMin: 178 23:03:55 -591.204663 1.2419 MDMin: 179 23:03:56 -591.234263 1.1371 MDMin: 180 23:03:56 -591.270859 1.0744 MDMin: 181 23:03:56 -591.320202 1.1618 MDMin: 182 23:03:56 -591.384637 1.2345 MDMin: 183 23:03:57 -591.462288 1.2071 MDMin: 184 23:03:57 -591.554309 1.1324 MDMin: 185 23:03:57 -591.664574 1.1640 MDMin: 186 23:03:58 -591.788350 1.2441 MDMin: 187 23:03:58 -591.909844 1.3109 MDMin: 188 23:03:58 -592.017718 1.2281 MDMin: 189 23:03:58 -592.114036 1.1323 MDMin: 190 23:03:59 -592.203477 1.1485 MDMin: 191 23:03:59 -592.284180 1.2401 MDMin: 192 23:03:59 -592.354243 1.1948 MDMin: 193 23:03:59 -592.418104 1.0621 MDMin: 194 23:04:00 -592.448985 1.0435 MDMin: 195 23:04:00 -592.491219 0.7458 MDMin: 196 23:04:00 -592.536052 1.0192 MDMin: 197 23:04:00 -592.574033 1.7344 MDMin: 198 23:04:00 -592.597662 1.4092 MDMin: 199 23:04:01 -592.614861 0.5720 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 592.583779 Iterations: 22 Function evaluations: 44 Formation Energy: -19.453921263 Migration Energy: -7.5922688721 Calculating Size 6 ... [ERR1047]FIRE Failed: Steps Exceeds Maximum. Vacancy Formation Energy May Not Be Accurate. Step Time Energy fmax MDMin: 0 23:04:23 -1004.864251 3.3926 MDMin: 1 23:04:24 -1008.197071 2.0852 MDMin: 2 23:04:24 -1015.278645 1.3550 MDMin: 3 23:04:25 -1022.841416 1.2272 MDMin: 4 23:04:25 -1029.157171 1.9837 MDMin: 5 23:04:25 -1032.009652 4.8137 MDMin: 6 23:04:26 -1033.610336 1.0973 MDMin: 7 23:04:26 -1034.708566 0.9689 MDMin: 8 23:04:27 -1035.934233 0.9206 MDMin: 9 23:04:27 -1037.029833 2.3582 MDMin: 10 23:04:27 -1037.514952 2.3803 MDMin: 11 23:04:28 -1037.681276 1.1908 MDMin: 12 23:04:28 -1038.037170 0.9495 MDMin: 13 23:04:29 -1038.446473 1.2392 MDMin: 14 23:04:29 -1038.824410 1.9645 MDMin: 15 23:04:29 -1039.066984 1.2661 MDMin: 16 23:04:30 -1039.271624 0.7627 MDMin: 17 23:04:30 -1039.545623 0.7540 MDMin: 18 23:04:30 -1039.875326 0.8841 MDMin: 19 23:04:31 -1040.107844 1.3464 MDMin: 20 23:04:31 -1040.256721 0.7217 MDMin: 21 23:04:32 -1040.407368 0.6148 MDMin: 22 23:04:32 -1040.540069 0.7394 MDMin: 23 23:04:32 -1040.607553 1.2535 MDMin: 24 23:04:33 -1040.701452 1.0446 MDMin: 25 23:04:33 -1040.799110 1.0082 MDMin: 26 23:04:34 -1040.868792 0.9569 MDMin: 27 23:04:34 -1040.931791 0.8588 MDMin: 28 23:04:34 -1040.963766 1.4369 MDMin: 29 23:04:35 -1041.054088 0.7720 MDMin: 30 23:04:35 -1041.102033 0.7703 MDMin: 31 23:04:35 -1041.149704 0.8714 MDMin: 32 23:04:36 -1041.187906 1.4499 MDMin: 33 23:04:36 -1041.227252 1.5838 MDMin: 34 23:04:36 -1041.280391 0.5045 MDMin: 35 23:04:37 -1041.321762 0.5390 MDMin: 36 23:04:37 -1041.367805 1.0088 MDMin: 37 23:04:37 -1041.398484 1.9331 MDMin: 38 23:04:38 -1041.414022 1.0781 MDMin: 39 23:04:38 -1041.426863 0.5290 MDMin: 40 23:04:38 -1041.444803 0.6642 MDMin: 41 23:04:39 -1041.465915 1.2710 MDMin: 42 23:04:39 -1041.482356 1.9838 MDMin: 43 23:04:39 -1041.491063 0.7256 MDMin: 44 23:04:40 -1041.502660 0.7587 MDMin: 45 23:04:40 -1041.519096 0.8450 MDMin: 46 23:04:40 -1041.536829 1.8227 MDMin: 47 23:04:41 -1041.547598 1.6079 MDMin: 48 23:04:41 -1041.554410 0.5511 MDMin: 49 23:04:41 -1041.566228 0.5485 MDMin: 50 23:04:42 -1041.583071 0.6430 MDMin: 51 23:04:42 -1041.601597 1.6628 MDMin: 52 23:04:42 -1041.612742 2.1471 MDMin: 53 23:04:42 -1041.617824 0.7672 MDMin: 54 23:04:43 -1041.627871 0.8387 MDMin: 55 23:04:43 -1041.642874 0.9503 MDMin: 56 23:04:43 -1041.662033 1.0305 MDMin: 57 23:04:44 -1041.680700 3.0522 MDMin: 58 23:04:44 -1041.686592 0.8411 MDMin: 59 23:04:44 -1041.693081 0.7255 MDMin: 60 23:04:45 -1041.703586 0.7213 MDMin: 61 23:04:45 -1041.717437 1.4167 MDMin: 62 23:04:45 -1041.730042 2.7141 MDMin: 63 23:04:46 -1041.735694 0.6965 MDMin: 64 23:04:46 -1041.744189 0.5359 MDMin: 65 23:04:46 -1041.758425 0.7879 MDMin: 66 23:04:47 -1041.772587 1.8048 MDMin: 67 23:04:47 -1041.780028 1.9528 MDMin: 68 23:04:47 -1041.783536 0.3522 MDMin: 69 23:04:48 -1041.790561 0.3365 MDMin: 70 23:04:48 -1041.801135 0.3679 MDMin: 71 23:04:49 -1041.815149 0.6020 MDMin: 72 23:04:49 -1041.830125 2.1424 MDMin: 73 23:04:49 -1041.835869 1.5570 MDMin: 74 23:04:49 -1041.838475 0.5721 MDMin: 75 23:04:50 -1041.845124 0.5701 MDMin: 76 23:04:50 -1041.854794 0.6595 MDMin: 77 23:04:50 -1041.865850 1.5858 MDMin: 78 23:04:51 -1041.872425 1.5958 MDMin: 79 23:04:51 -1041.875707 0.5036 MDMin: 80 23:04:52 -1041.882765 0.6267 MDMin: 81 23:04:52 -1041.893789 0.8075 MDMin: 82 23:04:52 -1041.908997 0.9069 MDMin: 83 23:04:53 -1041.928275 0.6173 MDMin: 84 23:04:53 -1041.946227 2.3869 MDMin: 85 23:04:53 -1041.949324 0.6680 MDMin: 86 23:04:54 -1041.956499 0.8193 MDMin: 87 23:04:54 -1041.965751 1.0788 MDMin: 88 23:04:54 -1041.975517 1.2998 MDMin: 89 23:04:55 -1041.983743 1.1748 MDMin: 90 23:04:55 -1041.988601 1.2312 MDMin: 91 23:04:55 -1041.992037 1.1037 MDMin: 92 23:04:56 -1041.996797 1.2451 MDMin: 93 23:04:56 -1042.002709 1.1957 MDMin: 94 23:04:56 -1042.007806 1.6224 MDMin: 95 23:04:57 -1042.010364 0.5975 MDMin: 96 23:04:57 -1042.013861 0.7191 MDMin: 97 23:04:57 -1042.018754 0.9434 MDMin: 98 23:04:57 -1042.023963 1.4016 MDMin: 99 23:04:58 -1042.027701 1.5048 MDMin: 100 23:04:58 -1042.030399 1.0585 MDMin: 101 23:04:58 -1042.033931 1.0119 MDMin: 102 23:04:59 -1042.038522 1.2052 MDMin: 103 23:04:59 -1042.043235 1.6811 MDMin: 104 23:04:59 -1042.046826 1.5436 MDMin: 105 23:05:00 -1042.049811 1.1183 MDMin: 106 23:05:00 -1042.051945 0.8952 MDMin: 107 23:05:00 -1042.057166 1.2318 MDMin: 108 23:05:01 -1042.060852 1.2140 MDMin: 109 23:05:01 -1042.063780 0.8993 MDMin: 110 23:05:01 -1042.067271 1.1148 MDMin: 111 23:05:02 -1042.064945 1.3532 MDMin: 112 23:05:02 -1042.074362 1.4259 MDMin: 113 23:05:02 -1042.077430 1.2432 MDMin: 114 23:05:03 -1042.077045 1.3999 MDMin: 115 23:05:03 -1042.082775 1.4290 MDMin: 116 23:05:03 -1042.082901 1.0866 MDMin: 117 23:05:04 -1042.083280 0.9384 MDMin: 118 23:05:04 -1042.087859 0.5461 MDMin: 119 23:05:04 -1042.088618 0.5026 MDMin: 120 23:05:04 -1042.092399 0.6678 MDMin: 121 23:05:05 -1042.091384 0.8638 MDMin: 122 23:05:05 -1042.092560 0.6725 MDMin: 123 23:05:05 -1042.090705 0.4962 MDMin: 124 23:05:06 -1042.095787 0.5369 MDMin: 125 23:05:06 -1042.096464 0.7457 MDMin: 126 23:05:06 -1042.098514 0.8380 MDMin: 127 23:05:07 -1042.098125 0.6258 MDMin: 128 23:05:07 -1042.098956 0.5547 MDMin: 129 23:05:07 -1042.096309 0.6920 MDMin: 130 23:05:08 -1042.100815 0.8341 MDMin: 131 23:05:08 -1042.100662 0.7333 MDMin: 132 23:05:08 -1042.099934 0.5890 MDMin: 133 23:05:09 -1042.102575 0.6164 MDMin: 134 23:05:09 -1042.101836 0.7440 MDMin: 135 23:05:09 -1042.100994 0.8469 MDMin: 136 23:05:10 -1042.103773 0.6914 MDMin: 137 23:05:10 -1042.103685 0.5990 MDMin: 138 23:05:10 -1042.101768 0.6791 MDMin: 139 23:05:11 -1042.104834 0.8408 MDMin: 140 23:05:11 -1042.104521 0.8338 MDMin: 141 23:05:11 -1042.104142 0.6996 MDMin: 142 23:05:12 -1042.105504 0.6657 MDMin: 143 23:05:12 -1042.105248 0.7872 MDMin: 144 23:05:12 -1042.104506 0.9123 MDMin: 145 23:05:13 -1042.105583 0.8504 MDMin: 146 23:05:13 -1042.106276 0.7294 MDMin: 147 23:05:13 -1042.105450 0.7875 MDMin: 148 23:05:14 -1042.105038 0.9279 MDMin: 149 23:05:14 -1042.106628 1.0111 MDMin: 150 23:05:15 -1042.106301 0.9274 MDMin: 151 23:05:15 -1042.104304 0.8437 MDMin: 152 23:05:15 -1042.105838 0.8304 MDMin: 153 23:05:16 -1042.107127 0.9855 MDMin: 154 23:05:16 -1042.105702 1.1149 MDMin: 155 23:05:16 -1042.107167 1.1090 MDMin: 156 23:05:17 -1042.106567 1.0065 MDMin: 157 23:05:17 -1042.106484 0.8980 MDMin: 158 23:05:17 -1042.106020 0.8290 MDMin: 159 23:05:18 -1042.107012 0.6889 MDMin: 160 23:05:18 -1042.106679 0.6842 MDMin: 161 23:05:18 -1042.104333 0.7732 MDMin: 162 23:05:19 -1042.105606 0.7446 MDMin: 163 23:05:19 -1042.106512 0.6264 MDMin: 164 23:05:19 -1042.106046 0.6248 MDMin: 165 23:05:20 -1042.106158 0.6934 MDMin: 166 23:05:20 -1042.106938 0.7077 MDMin: 167 23:05:20 -1042.106230 0.6824 MDMin: 168 23:05:21 -1042.104594 0.6338 MDMin: 169 23:05:21 -1042.105437 0.6292 MDMin: 170 23:05:22 -1042.106217 0.6575 MDMin: 171 23:05:22 -1042.105865 0.7325 MDMin: 172 23:05:22 -1042.105816 0.6924 MDMin: 173 23:05:23 -1042.106374 0.6671 MDMin: 174 23:05:23 -1042.105725 0.6815 MDMin: 175 23:05:23 -1042.103717 0.7608 MDMin: 176 23:05:24 -1042.104704 0.7606 MDMin: 177 23:05:24 -1042.105324 0.7191 MDMin: 178 23:05:24 -1042.105580 0.7374 MDMin: 179 23:05:25 -1042.104766 0.7751 MDMin: 180 23:05:25 -1042.105258 0.8755 MDMin: 181 23:05:26 -1042.105615 1.0670 MDMin: 182 23:05:26 -1042.103865 1.2310 MDMin: 183 23:05:26 -1042.105032 1.2124 MDMin: 184 23:05:27 -1042.105313 0.9268 MDMin: 185 23:05:27 -1042.104473 0.8249 MDMin: 186 23:05:27 -1042.102963 0.7008 MDMin: 187 23:05:28 -1042.103930 0.7383 MDMin: 188 23:05:28 -1042.104340 0.7485 MDMin: 189 23:05:28 -1042.103869 0.7921 MDMin: 190 23:05:29 -1042.103760 0.7760 MDMin: 191 23:05:29 -1042.104053 0.6505 MDMin: 192 23:05:29 -1042.104277 0.7906 MDMin: 193 23:05:30 -1042.102233 0.9652 MDMin: 194 23:05:30 -1042.103667 1.1176 MDMin: 195 23:05:30 -1042.103898 1.1692 MDMin: 196 23:05:31 -1042.103137 1.0301 MDMin: 197 23:05:31 -1042.101640 0.7797 MDMin: 198 23:05:31 -1042.102327 0.7337 MDMin: 199 23:05:31 -1042.102645 0.5261 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate.