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: F Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000 sc [3.293369919061661] Cell Size Min: 6 Cell Size Max: 8 Smallest System Size: 216 Largest System Size: 512 [Calculation] Calculating Size 6 ... Step Time Energy fmax MDMin: 0 16:52:39 -139.235359 0.1862 MDMin: 1 16:52:44 -139.241406 0.1834 MDMin: 2 16:52:50 -139.258038 0.1758 MDMin: 3 16:52:57 -139.266508 0.1648 MDMin: 4 16:53:03 -139.267433 0.1529 MDMin: 5 16:53:09 -139.268362 0.1439 MDMin: 6 16:53:15 -139.269210 0.1382 MDMin: 7 16:53:21 -139.269906 0.1352 MDMin: 8 16:53:27 -139.270405 0.1325 MDMin: 9 16:53:33 -139.270717 0.1274 MDMin: 10 16:53:40 -139.270890 0.1172 MDMin: 11 16:53:48 -139.270991 0.0988 MDMin: 12 16:53:55 -139.271097 0.0758 MDMin: 13 16:54:01 -139.271147 0.0793 MDMin: 14 16:54:08 -139.271208 0.0819 MDMin: 15 16:54:16 -139.271245 0.0832 MDMin: 16 16:54:22 -139.271269 0.0817 MDMin: 17 16:54:29 -139.271285 0.0833 MDMin: 18 16:54:35 -139.271303 0.0854 MDMin: 19 16:54:43 -139.271323 0.0884 MDMin: 20 16:54:50 -139.271345 0.0924 MDMin: 21 16:54:57 -139.271367 0.0971 MDMin: 22 16:55:04 -139.271388 0.1015 MDMin: 23 16:55:09 -139.271407 0.1035 MDMin: 24 16:55:16 -139.271423 0.1018 MDMin: 25 16:55:22 -139.271438 0.0957 MDMin: 26 16:55:30 -139.271451 0.0883 MDMin: 27 16:55:36 -139.271465 0.0878 MDMin: 28 16:55:42 -139.271478 0.0862 MDMin: 29 16:55:49 -139.271491 0.0869 MDMin: 30 16:55:53 -139.271503 0.0883 MDMin: 31 16:55:54 -139.271516 0.0897 MDMin: 32 16:55:56 -139.271527 0.0903 MDMin: 33 16:55:59 -139.271537 0.0906 MDMin: 34 16:56:01 -139.271546 0.0931 MDMin: 35 16:56:02 -139.271554 0.0983 MDMin: 36 16:56:05 -139.271563 0.1087 MDMin: 37 16:56:08 -139.271571 0.1170 MDMin: 38 16:56:12 -139.271580 0.1217 MDMin: 39 16:56:16 -139.271589 0.1217 MDMin: 40 16:56:19 -139.271597 0.1166 MDMin: 41 16:56:23 -139.271605 0.1081 MDMin: 42 16:56:27 -139.271611 0.0991 MDMin: 43 16:56:31 -139.271617 0.0902 MDMin: 44 16:56:35 -139.271622 0.0808 MDMin: 45 16:56:39 -139.271628 0.0739 MDMin: 46 16:56:43 -139.271634 0.0706 MDMin: 47 16:56:46 -139.271641 0.0676 MDMin: 48 16:56:50 -139.271647 0.0683 MDMin: 49 16:56:54 -139.271653 0.0693 MDMin: 50 16:56:56 -139.271659 0.0709 MDMin: 51 16:57:00 -139.271664 0.0758 MDMin: 52 16:57:04 -139.271668 0.0801 MDMin: 53 16:57:08 -139.271673 0.0836 MDMin: 54 16:57:12 -139.271678 0.0867 MDMin: 55 16:57:15 -139.271683 0.0916 MDMin: 56 16:57:19 -139.271688 0.0940 MDMin: 57 16:57:23 -139.271694 0.0951 MDMin: 58 16:57:24 -139.271699 0.0954 MDMin: 59 16:57:26 -139.271704 0.1040 MDMin: 60 16:57:27 -139.271708 0.1107 MDMin: 61 16:57:31 -139.271712 0.1163 MDMin: 62 16:57:34 -139.271716 0.1214 MDMin: 63 16:57:37 -139.271721 0.1262 MDMin: 64 16:57:39 -139.271725 0.1306 MDMin: 65 16:57:43 -139.271730 0.1337 MDMin: 66 16:57:44 -139.271735 0.1345 MDMin: 67 16:57:46 -139.271739 0.1315 MDMin: 68 16:57:48 -139.271744 0.1248 MDMin: 69 16:57:50 -139.271748 0.1157 MDMin: 70 16:57:53 -139.271752 0.1051 MDMin: 71 16:57:57 -139.271756 0.0930 MDMin: 72 16:58:00 -139.271760 0.0896 MDMin: 73 16:58:03 -139.271764 0.0868 MDMin: 74 16:58:07 -139.271769 0.0826 MDMin: 75 16:58:10 -139.271774 0.0774 MDMin: 76 16:58:14 -139.271778 0.0722 MDMin: 77 16:58:18 -139.271782 0.0674 MDMin: 78 16:58:21 -139.271786 0.0628 MDMin: 79 16:58:25 -139.271790 0.0583 MDMin: 80 16:58:28 -139.271794 0.0608 MDMin: 81 16:58:32 -139.271799 0.0635 MDMin: 82 16:58:36 -139.271804 0.0658 MDMin: 83 16:58:38 -139.271809 0.0676 MDMin: 84 16:58:41 -139.271814 0.0684 MDMin: 85 16:58:44 -139.271819 0.0680 MDMin: 86 16:58:48 -139.271823 0.0667 MDMin: 87 16:58:52 -139.271828 0.0640 MDMin: 88 16:58:55 -139.271832 0.0613 MDMin: 89 16:58:58 -139.271836 0.0577 MDMin: 90 16:59:02 -139.271841 0.0531 MDMin: 91 16:59:06 -139.271846 0.0474 MDMin: 92 16:59:08 -139.271851 0.0416 MDMin: 93 16:59:10 -139.271856 0.0353 MDMin: 94 16:59:13 -139.271861 0.0304 MDMin: 95 16:59:17 -139.271865 0.0295 MDMin: 96 16:59:20 -139.271869 0.0293 MDMin: 97 16:59:24 -139.271873 0.0291 MDMin: 98 16:59:27 -139.271878 0.0289 MDMin: 99 16:59:28 -139.271883 0.0287 MDMin: 100 16:59:30 -139.271888 0.0285 MDMin: 101 16:59:32 -139.271893 0.0285 MDMin: 102 16:59:36 -139.271898 0.0285 MDMin: 103 16:59:39 -139.271903 0.0286 MDMin: 104 16:59:41 -139.271908 0.0288 MDMin: 105 16:59:44 -139.271914 0.0292 MDMin: 106 16:59:46 -139.271919 0.0298 MDMin: 107 16:59:48 -139.271926 0.0341 MDMin: 108 16:59:50 -139.271932 0.0407 MDMin: 109 16:59:52 -139.271939 0.0453 MDMin: 110 16:59:54 -139.271945 0.0478 MDMin: 111 16:59:56 -139.271951 0.0484 MDMin: 112 16:59:59 -139.271955 0.0481 MDMin: 113 17:00:02 -139.271959 0.0473 MDMin: 114 17:00:05 -139.271964 0.0459 MDMin: 115 17:00:07 -139.271969 0.0470 MDMin: 116 17:00:10 -139.271974 0.0509 MDMin: 117 17:00:12 -139.271980 0.0556 MDMin: 118 17:00:15 -139.271987 0.0611 MDMin: 119 17:00:16 -139.271994 0.0672 MDMin: 120 17:00:19 -139.272000 0.0731 MDMin: 121 17:00:21 -139.272005 0.0779 MDMin: 122 17:00:23 -139.272010 0.0818 MDMin: 123 17:00:24 -139.272014 0.0850 MDMin: 124 17:00:26 -139.272017 0.0870 MDMin: 125 17:00:27 -139.272018 0.0877 MDMin: 126 17:00:29 -139.272020 0.0887 MDMin: 127 17:00:31 -139.272022 0.0896 MDMin: 128 17:00:32 -139.272025 0.0903 MDMin: 129 17:00:34 -139.272029 0.0903 MDMin: 130 17:00:36 -139.272032 0.0897 MDMin: 131 17:00:39 -139.272034 0.0888 MDMin: 132 17:00:41 -139.272037 0.0869 MDMin: 133 17:00:42 -139.272040 0.0849 MDMin: 134 17:00:44 -139.272043 0.0819 MDMin: 135 17:00:46 -139.272047 0.0777 MDMin: 136 17:00:48 -139.272051 0.0733 MDMin: 137 17:00:50 -139.272052 0.0712 MDMin: 138 17:00:53 -139.272054 0.0688 MDMin: 139 17:00:55 -139.272057 0.0655 MDMin: 140 17:00:57 -139.272060 0.0614 MDMin: 141 17:00:59 -139.272062 0.0591 MDMin: 142 17:01:03 -139.272063 0.0568 MDMin: 143 17:01:06 -139.272066 0.0536 MDMin: 144 17:01:10 -139.272069 0.0560 MDMin: 145 17:01:13 -139.272071 0.0474 MDMin: 146 17:01:16 -139.272073 0.0458 MDMin: 147 17:01:19 -139.272074 0.0468 MDMin: 148 17:01:22 -139.272077 0.0480 MDMin: 149 17:01:25 -139.272079 0.0492 MDMin: 150 17:01:28 -139.272080 0.0500 MDMin: 151 17:01:32 -139.272082 0.0508 MDMin: 152 17:01:34 -139.272084 0.0520 MDMin: 153 17:01:36 -139.272086 0.0531 MDMin: 154 17:01:38 -139.272087 0.0539 MDMin: 155 17:01:40 -139.272089 0.0548 MDMin: 156 17:01:42 -139.272091 0.0560 MDMin: 157 17:01:45 -139.272093 0.0572 MDMin: 158 17:01:46 -139.272095 0.0581 MDMin: 159 17:01:49 -139.272096 0.0598 MDMin: 160 17:01:52 -139.272099 0.0622 MDMin: 161 17:01:55 -139.272102 0.0655 MDMin: 162 17:01:58 -139.272105 0.0684 MDMin: 163 17:02:01 -139.272107 0.0709 MDMin: 164 17:02:03 -139.272109 0.0734 MDMin: 165 17:02:04 -139.272112 0.0769 MDMin: 166 17:02:06 -139.272115 0.0814 MDMin: 167 17:02:08 -139.272118 0.0850 MDMin: 168 17:02:11 -139.272120 0.0877 MDMin: 169 17:02:13 -139.272122 0.0906 MDMin: 170 17:02:16 -139.272125 0.0944 MDMin: 171 17:02:19 -139.272127 0.0986 MDMin: 172 17:02:22 -139.272130 0.1018 MDMin: 173 17:02:26 -139.272132 0.1049 MDMin: 174 17:02:29 -139.272134 0.1089 MDMin: 175 17:02:32 -139.272137 0.1129 MDMin: 176 17:02:35 -139.272139 0.1159 MDMin: 177 17:02:37 -139.272142 0.1189 MDMin: 178 17:02:39 -139.272144 0.1225 MDMin: 179 17:02:43 -139.272147 0.1261 MDMin: 180 17:02:46 -139.272149 0.1286 MDMin: 181 17:02:49 -139.272152 0.1310 MDMin: 182 17:02:52 -139.272154 0.1334 MDMin: 183 17:02:54 -139.272157 0.1353 MDMin: 184 17:02:56 -139.272160 0.1364 MDMin: 185 17:02:58 -139.272162 0.1370 MDMin: 186 17:03:00 -139.272165 0.1369 MDMin: 187 17:03:03 -139.272168 0.1361 MDMin: 188 17:03:05 -139.272170 0.1347 MDMin: 189 17:03:07 -139.272173 0.1327 MDMin: 190 17:03:09 -139.272175 0.1299 MDMin: 191 17:03:11 -139.272178 0.1262 MDMin: 192 17:03:13 -139.272181 0.1220 MDMin: 193 17:03:16 -139.272183 0.1174 MDMin: 194 17:03:19 -139.272186 0.1123 MDMin: 195 17:03:22 -139.272189 0.1168 MDMin: 196 17:03:26 -139.272192 0.1229 MDMin: 197 17:03:29 -139.272194 0.1282 MDMin: 198 17:03:32 -139.272197 0.1411 MDMin: 199 17:03:34 -139.272200 0.1468 MDMin: 200 17:03:36 -139.272203 0.1522 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate.