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: Na EAM_Dynamo_NicholAckland_2016_Na__MO_048172193005_000 bcc [4.2905998453497896] 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 15:26:15 -275.656698 0.1127 MDMin: 1 15:26:15 -275.658715 0.1111 MDMin: 2 15:26:16 -275.664580 0.1063 MDMin: 3 15:26:16 -275.673765 0.1008 MDMin: 4 15:26:16 -275.685486 0.0934 MDMin: 5 15:26:16 -275.698860 0.0842 MDMin: 6 15:26:16 -275.713111 0.0736 MDMin: 7 15:26:17 -275.727783 0.0636 MDMin: 8 15:26:17 -275.742833 0.0580 MDMin: 9 15:26:17 -275.758528 0.0542 MDMin: 10 15:26:17 -275.775356 0.0527 MDMin: 11 15:26:17 -275.793734 0.0508 MDMin: 12 15:26:17 -275.812833 0.0467 MDMin: 13 15:26:17 -275.831321 0.0431 MDMin: 14 15:26:17 -275.845581 0.0489 MDMin: 15 15:26:17 -275.853485 0.0541 MDMin: 16 15:26:18 -275.859731 0.0472 MDMin: 17 15:26:18 -275.865870 0.0520 MDMin: 18 15:26:18 -275.866743 0.0680 MDMin: 19 15:26:18 -275.866801 0.0893 MDMin: 20 15:26:18 -275.866844 0.0863 MDMin: 21 15:26:18 -275.866879 0.0884 MDMin: 22 15:26:18 -275.866908 0.1174 MDMin: 23 15:26:19 -275.866933 0.1007 MDMin: 24 15:26:19 -275.866956 0.0825 MDMin: 25 15:26:19 -275.866979 0.1118 MDMin: 26 15:26:19 -275.867001 0.1162 MDMin: 27 15:26:19 -275.867019 0.0656 MDMin: 28 15:26:19 -275.867035 0.0683 MDMin: 29 15:26:19 -275.867050 0.0621 MDMin: 30 15:26:19 -275.867064 0.0665 MDMin: 31 15:26:20 -275.867077 0.0780 MDMin: 32 15:26:20 -275.867089 0.0885 MDMin: 33 15:26:20 -275.867100 0.0881 MDMin: 34 15:26:20 -275.867109 0.0687 MDMin: 35 15:26:20 -275.867118 0.0506 MDMin: 36 15:26:20 -275.867126 0.0523 MDMin: 37 15:26:20 -275.867133 0.0478 MDMin: 38 15:26:20 -275.867138 0.0531 MDMin: 39 15:26:20 -275.867142 0.0535 MDMin: 40 15:26:21 -275.867145 0.0472 MDMin: 41 15:26:21 -275.867146 0.0581 MDMin: 42 15:26:21 -275.867145 0.0681 MDMin: 43 15:26:21 -275.867144 0.0747 MDMin: 44 15:26:21 -275.867142 0.0782 MDMin: 45 15:26:21 -275.867140 0.0784 MDMin: 46 15:26:21 -275.867137 0.0694 MDMin: 47 15:26:21 -275.867133 0.0514 MDMin: 48 15:26:21 -275.867129 0.0421 MDMin: 49 15:26:21 -275.867124 0.0439 MDMin: 50 15:26:21 -275.867119 0.0412 MDMin: 51 15:26:21 -275.867112 0.0422 MDMin: 52 15:26:21 -275.867105 0.0539 MDMin: 53 15:26:21 -275.867097 0.0541 MDMin: 54 15:26:22 -275.867089 0.0504 MDMin: 55 15:26:22 -275.867080 0.0626 MDMin: 56 15:26:22 -275.867071 0.0732 MDMin: 57 15:26:22 -275.867061 0.0794 MDMin: 58 15:26:22 -275.867051 0.0796 MDMin: 59 15:26:22 -275.867041 0.0692 MDMin: 60 15:26:22 -275.867031 0.0722 MDMin: 61 15:26:22 -275.867020 0.0920 MDMin: 62 15:26:22 -275.867010 0.1054 MDMin: 63 15:26:22 -275.867001 0.0724 MDMin: 64 15:26:22 -275.866992 0.0561 MDMin: 65 15:26:22 -275.866982 0.0699 MDMin: 66 15:26:23 -275.866973 0.0830 MDMin: 67 15:26:23 -275.866963 0.0879 MDMin: 68 15:26:23 -275.866954 0.0827 MDMin: 69 15:26:23 -275.866945 0.0591 MDMin: 70 15:26:23 -275.866937 0.0538 MDMin: 71 15:26:23 -275.866929 0.0545 MDMin: 72 15:26:24 -275.866923 0.0640 MDMin: 73 15:26:24 -275.866919 0.0676 MDMin: 74 15:26:24 -275.866915 0.0760 MDMin: 75 15:26:24 -275.866911 0.0825 MDMin: 76 15:26:24 -275.866907 0.0888 MDMin: 77 15:26:24 -275.866904 0.1055 MDMin: 78 15:26:24 -275.866902 0.1150 MDMin: 79 15:26:24 -275.866899 0.0883 MDMin: 80 15:26:24 -275.866897 0.0475 MDMin: 81 15:26:24 -275.866896 0.0486 MDMin: 82 15:26:24 -275.866894 0.0496 MDMin: 83 15:26:24 -275.866893 0.0592 MDMin: 84 15:26:24 -275.866893 0.0538 MDMin: 85 15:26:25 -275.866893 0.0373 MDMin: 86 15:26:25 -275.866893 0.0464 MDMin: 87 15:26:25 -275.866893 0.0545 MDMin: 88 15:26:25 -275.866895 0.0640 MDMin: 89 15:26:25 -275.866896 0.0813 MDMin: 90 15:26:25 -275.866898 0.1039 MDMin: 91 15:26:25 -275.866901 0.1210 MDMin: 92 15:26:25 -275.866903 0.1221 MDMin: 93 15:26:25 -275.866905 0.1049 MDMin: 94 15:26:25 -275.866907 0.0905 MDMin: 95 15:26:25 -275.866908 0.1029 MDMin: 96 15:26:25 -275.866910 0.1211 MDMin: 97 15:26:25 -275.866911 0.1328 MDMin: 98 15:26:25 -275.866912 0.1031 MDMin: 99 15:26:25 -275.866913 0.0406 MDMin: 100 15:26:26 -275.866914 0.0443 MDMin: 101 15:26:26 -275.866915 0.0489 MDMin: 102 15:26:26 -275.866915 0.0494 MDMin: 103 15:26:26 -275.866915 0.0551 MDMin: 104 15:26:26 -275.866914 0.0664 MDMin: 105 15:26:26 -275.866913 0.0833 MDMin: 106 15:26:26 -275.866910 0.1089 MDMin: 107 15:26:26 -275.866907 0.1337 MDMin: 108 15:26:27 -275.866904 0.1399 MDMin: 109 15:26:27 -275.866900 0.1095 MDMin: 110 15:26:27 -275.866895 0.0879 MDMin: 111 15:26:27 -275.866891 0.0571 MDMin: 112 15:26:27 -275.866886 0.0724 MDMin: 113 15:26:27 -275.866881 0.0911 MDMin: 114 15:26:27 -275.866876 0.1054 MDMin: 115 15:26:27 -275.866872 0.1228 MDMin: 116 15:26:27 -275.866867 0.1466 MDMin: 117 15:26:28 -275.866863 0.1253 MDMin: 118 15:26:28 -275.866859 0.0393 MDMin: 119 15:26:28 -275.866856 0.0388 MDMin: 120 15:26:28 -275.866852 0.0429 MDMin: 121 15:26:28 -275.866849 0.0487 MDMin: 122 15:26:28 -275.866846 0.0505 MDMin: 123 15:26:28 -275.866844 0.0484 MDMin: 124 15:26:29 -275.866843 0.0566 MDMin: 125 15:26:29 -275.866843 0.0704 MDMin: 126 15:26:29 -275.866843 0.0927 MDMin: 127 15:26:29 -275.866844 0.1245 MDMin: 128 15:26:29 -275.866847 0.1473 MDMin: 129 15:26:29 -275.866850 0.1504 MDMin: 130 15:26:29 -275.866853 0.1098 MDMin: 131 15:26:29 -275.866857 0.0978 MDMin: 132 15:26:29 -275.866862 0.0582 MDMin: 133 15:26:29 -275.866867 0.0737 MDMin: 134 15:26:29 -275.866872 0.0919 MDMin: 135 15:26:30 -275.866879 0.1076 MDMin: 136 15:26:30 -275.866886 0.1246 MDMin: 137 15:26:30 -275.866894 0.1497 MDMin: 138 15:26:30 -275.866900 0.1505 MDMin: 139 15:26:30 -275.866903 0.1388 MDMin: 140 15:26:30 -275.866905 0.1210 MDMin: 141 15:26:30 -275.866908 0.0990 MDMin: 142 15:26:30 -275.866911 0.0725 MDMin: 143 15:26:30 -275.866915 0.0464 MDMin: 144 15:26:30 -275.866919 0.0904 MDMin: 145 15:26:30 -275.866920 0.0385 MDMin: 146 15:26:31 -275.866922 0.0378 MDMin: 147 15:26:31 -275.866924 0.0379 MDMin: 148 15:26:31 -275.866926 0.0386 MDMin: 149 15:26:31 -275.866928 0.0391 MDMin: 150 15:26:31 -275.866929 0.0419 MDMin: 151 15:26:31 -275.866932 0.0693 MDMin: 152 15:26:31 -275.866934 0.0425 MDMin: 153 15:26:31 -275.866937 0.0689 MDMin: 154 15:26:31 -275.866939 0.0450 MDMin: 155 15:26:31 -275.866942 0.0460 MDMin: 156 15:26:31 -275.866944 0.0473 MDMin: 157 15:26:31 -275.866948 0.0487 MDMin: 158 15:26:31 -275.866952 0.0495 MDMin: 159 15:26:32 -275.866957 0.0496 MDMin: 160 15:26:32 -275.866962 0.0485 MDMin: 161 15:26:32 -275.866968 0.0462 MDMin: 162 15:26:32 -275.866975 0.0439 MDMin: 163 15:26:32 -275.866980 0.0470 MDMin: 164 15:26:32 -275.866986 0.0390 MDMin: 165 15:26:32 -275.866991 0.0396 MDMin: 166 15:26:32 -275.866997 0.0350 MDMin: 167 15:26:32 -275.867003 0.0428 MDMin: 168 15:26:32 -275.867010 0.0412 MDMin: 169 15:26:33 -275.867018 0.0290 MDMin: 170 15:26:33 -275.867027 0.0306 MDMin: 171 15:26:33 -275.867034 0.0337 MDMin: 172 15:26:33 -275.867040 0.0539 MDMin: 173 15:26:33 -275.867046 0.0430 MDMin: 174 15:26:33 -275.867052 0.0444 MDMin: 175 15:26:33 -275.867060 0.0406 MDMin: 176 15:26:33 -275.867066 0.0449 MDMin: 177 15:26:33 -275.867071 0.0485 MDMin: 178 15:26:33 -275.867076 0.0532 MDMin: 179 15:26:33 -275.867082 0.0578 MDMin: 180 15:26:33 -275.867088 0.0610 MDMin: 181 15:26:33 -275.867095 0.0619 MDMin: 182 15:26:33 -275.867101 0.0611 MDMin: 183 15:26:33 -275.867106 0.0591 MDMin: 184 15:26:33 -275.867112 0.0611 MDMin: 185 15:26:33 -275.867119 0.0704 MDMin: 186 15:26:34 -275.867126 0.0804 MDMin: 187 15:26:34 -275.867134 0.0906 MDMin: 188 15:26:34 -275.867142 0.0990 MDMin: 189 15:26:34 -275.867147 0.1050 MDMin: 190 15:26:34 -275.867153 0.1112 MDMin: 191 15:26:34 -275.867160 0.1191 MDMin: 192 15:26:34 -275.867167 0.1302 MDMin: 193 15:26:34 -275.867174 0.1436 MDMin: 194 15:26:34 -275.867181 0.1540 MDMin: 195 15:26:34 -275.867188 0.1531 MDMin: 196 15:26:34 -275.867194 0.1386 MDMin: 197 15:26:34 -275.867201 0.1095 MDMin: 198 15:26:34 -275.867209 0.0713 MDMin: 199 15:26:34 -275.867218 0.0498 MDMin: 200 15:26:34 -275.867227 0.0502 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate.