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: Cr EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000 bcc [2.938573092222214] 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 -876.184763 1.1418 MDMin: 1 15:26:15 -876.379881 0.7471 MDMin: 2 15:26:16 -876.637370 0.3895 MDMin: 3 15:26:16 -876.753483 0.2485 MDMin: 4 15:26:17 -876.805277 0.2192 MDMin: 5 15:26:17 -876.835877 0.2008 MDMin: 6 15:26:17 -876.863511 0.1872 MDMin: 7 15:26:18 -876.894047 0.1864 MDMin: 8 15:26:18 -876.924343 0.1751 MDMin: 9 15:26:18 -876.941444 0.1967 MDMin: 10 15:26:19 -876.957477 0.1758 MDMin: 11 15:26:19 -876.959483 0.1811 MDMin: 12 15:26:20 -876.960852 0.1750 MDMin: 13 15:26:20 -876.962677 0.1840 MDMin: 14 15:26:20 -876.964504 0.2453 MDMin: 15 15:26:20 -876.965423 0.1785 MDMin: 16 15:26:21 -876.966333 0.1692 MDMin: 17 15:26:21 -876.967695 0.1732 MDMin: 18 15:26:21 -876.969488 0.2040 MDMin: 19 15:26:22 -876.971408 0.2088 MDMin: 20 15:26:22 -876.972797 0.3092 MDMin: 21 15:26:22 -876.973601 0.2203 MDMin: 22 15:26:23 -876.974534 0.2493 MDMin: 23 15:26:23 -876.975670 0.2869 MDMin: 24 15:26:23 -876.976822 0.3467 MDMin: 25 15:26:23 -876.977703 0.4222 MDMin: 26 15:26:24 -876.978204 0.3993 MDMin: 27 15:26:24 -876.978607 0.4525 MDMin: 28 15:26:24 -876.979062 0.4168 MDMin: 29 15:26:24 -876.979534 0.4459 MDMin: 30 15:26:25 -876.979923 0.4000 MDMin: 31 15:26:25 -876.980161 0.4604 MDMin: 32 15:26:25 -876.980344 0.5197 MDMin: 33 15:26:25 -876.980559 0.5763 MDMin: 34 15:26:26 -876.980800 0.5952 MDMin: 35 15:26:26 -876.981010 0.5734 MDMin: 36 15:26:26 -876.981140 0.5451 MDMin: 37 15:26:27 -876.981260 0.5023 MDMin: 38 15:26:27 -876.981410 0.4293 MDMin: 39 15:26:27 -876.981573 0.5589 MDMin: 40 15:26:27 -876.981700 0.5069 MDMin: 41 15:26:28 -876.981794 0.3793 MDMin: 42 15:26:28 -876.981907 0.4140 MDMin: 43 15:26:28 -876.982043 0.4165 MDMin: 44 15:26:29 -876.982179 0.5690 MDMin: 45 15:26:29 -876.982285 0.5498 MDMin: 46 15:26:29 -876.982381 0.4141 MDMin: 47 15:26:29 -876.982488 0.4396 MDMin: 48 15:26:29 -876.982604 0.5906 MDMin: 49 15:26:29 -876.982711 0.6673 MDMin: 50 15:26:30 -876.982804 0.6202 MDMin: 51 15:26:30 -876.982897 0.5793 MDMin: 52 15:26:30 -876.982996 0.6309 MDMin: 53 15:26:30 -876.983093 0.6577 MDMin: 54 15:26:30 -876.983182 0.6252 MDMin: 55 15:26:31 -876.983269 0.5583 MDMin: 56 15:26:31 -876.983356 0.5534 MDMin: 57 15:26:31 -876.983446 0.5891 MDMin: 58 15:26:32 -876.983532 0.6924 MDMin: 59 15:26:32 -876.983613 0.7857 MDMin: 60 15:26:32 -876.983693 0.8499 MDMin: 61 15:26:33 -876.983773 0.8648 MDMin: 62 15:26:33 -876.983852 0.8235 MDMin: 63 15:26:33 -876.983928 0.7493 MDMin: 64 15:26:33 -876.983999 0.6482 MDMin: 65 15:26:33 -876.984070 0.5573 MDMin: 66 15:26:33 -876.984140 0.5811 MDMin: 67 15:26:33 -876.984208 0.5631 MDMin: 68 15:26:34 -876.984273 0.6761 MDMin: 69 15:26:34 -876.984335 0.8082 MDMin: 70 15:26:34 -876.984397 0.9918 MDMin: 71 15:26:34 -876.984458 1.1741 MDMin: 72 15:26:34 -876.984516 1.3466 MDMin: 73 15:26:34 -876.984572 1.3927 MDMin: 74 15:26:35 -876.984626 1.2819 MDMin: 75 15:26:35 -876.984680 0.9746 MDMin: 76 15:26:35 -876.984730 0.6938 MDMin: 77 15:26:35 -876.984778 0.5930 MDMin: 78 15:26:35 -876.984824 0.6675 MDMin: 79 15:26:35 -876.984870 0.7360 MDMin: 80 15:26:35 -876.984914 0.8252 MDMin: 81 15:26:35 -876.984955 0.8285 MDMin: 82 15:26:36 -876.984995 0.8432 MDMin: 83 15:26:36 -876.985036 0.8772 MDMin: 84 15:26:36 -876.985076 0.9415 MDMin: 85 15:26:36 -876.985114 0.9520 MDMin: 86 15:26:36 -876.985151 0.9441 MDMin: 87 15:26:36 -876.985189 0.9529 MDMin: 88 15:26:36 -876.985226 1.0024 MDMin: 89 15:26:37 -876.985263 1.0308 MDMin: 90 15:26:37 -876.985299 1.0256 MDMin: 91 15:26:37 -876.985334 1.0096 MDMin: 92 15:26:37 -876.985370 1.0246 MDMin: 93 15:26:37 -876.985406 1.0445 MDMin: 94 15:26:37 -876.985441 1.0402 MDMin: 95 15:26:37 -876.985475 1.0074 MDMin: 96 15:26:37 -876.985509 0.9855 MDMin: 97 15:26:37 -876.985544 0.9840 MDMin: 98 15:26:37 -876.985578 0.9799 MDMin: 99 15:26:37 -876.985611 0.9511 MDMin: 100 15:26:38 -876.985645 0.9169 MDMin: 101 15:26:38 -876.985678 0.9042 MDMin: 102 15:26:38 -876.985712 0.9050 MDMin: 103 15:26:38 -876.985745 0.8931 MDMin: 104 15:26:38 -876.985778 0.8653 MDMin: 105 15:26:38 -876.985810 0.8473 MDMin: 106 15:26:38 -876.985843 0.8474 MDMin: 107 15:26:38 -876.985876 0.8464 MDMin: 108 15:26:38 -876.985908 0.8243 MDMin: 109 15:26:38 -876.985940 0.7945 MDMin: 110 15:26:38 -876.985972 0.7766 MDMin: 111 15:26:38 -876.986004 0.7699 MDMin: 112 15:26:39 -876.986036 0.7504 MDMin: 113 15:26:39 -876.986068 0.7179 MDMin: 114 15:26:39 -876.986100 0.6883 MDMin: 115 15:26:39 -876.986132 0.6743 MDMin: 116 15:26:39 -876.986165 0.6559 MDMin: 117 15:26:39 -876.986197 0.6255 MDMin: 118 15:26:39 -876.986229 0.5918 MDMin: 119 15:26:39 -876.986262 0.5763 MDMin: 120 15:26:39 -876.986295 0.5663 MDMin: 121 15:26:39 -876.986328 0.5499 MDMin: 122 15:26:39 -876.986361 0.5224 MDMin: 123 15:26:39 -876.986395 0.5546 MDMin: 124 15:26:40 -876.986429 0.5755 MDMin: 125 15:26:40 -876.986463 0.5726 MDMin: 126 15:26:40 -876.986496 0.5862 MDMin: 127 15:26:40 -876.986528 0.5792 MDMin: 128 15:26:40 -876.986561 0.5703 MDMin: 129 15:26:40 -876.986594 0.5680 MDMin: 130 15:26:40 -876.986627 0.5609 MDMin: 131 15:26:40 -876.986660 0.5371 MDMin: 132 15:26:40 -876.986692 0.5091 MDMin: 133 15:26:40 -876.986726 0.4896 MDMin: 134 15:26:40 -876.986759 0.4772 MDMin: 135 15:26:40 -876.986792 0.4544 MDMin: 136 15:26:41 -876.986825 0.4248 MDMin: 137 15:26:41 -876.986858 0.4030 MDMin: 138 15:26:41 -876.986891 0.3960 MDMin: 139 15:26:41 -876.986925 0.3877 MDMin: 140 15:26:41 -876.986958 0.3707 MDMin: 141 15:26:41 -876.986992 0.3547 MDMin: 142 15:26:41 -876.987026 0.3578 MDMin: 143 15:26:41 -876.987061 0.3576 MDMin: 144 15:26:41 -876.987095 0.3614 MDMin: 145 15:26:41 -876.987129 0.3456 MDMin: 146 15:26:41 -876.987164 0.3399 MDMin: 147 15:26:41 -876.987199 0.3430 MDMin: 148 15:26:42 -876.987234 0.3455 MDMin: 149 15:26:42 -876.987269 0.3360 MDMin: 150 15:26:42 -876.987303 0.3278 MDMin: 151 15:26:42 -876.987337 0.3214 MDMin: 152 15:26:42 -876.987370 0.3351 MDMin: 153 15:26:42 -876.987400 0.3344 MDMin: 154 15:26:42 -876.987431 0.3408 MDMin: 155 15:26:42 -876.987464 0.3392 MDMin: 156 15:26:42 -876.987498 0.3353 MDMin: 157 15:26:42 -876.987531 0.3234 MDMin: 158 15:26:42 -876.987563 0.3090 MDMin: 159 15:26:42 -876.987597 0.2904 MDMin: 160 15:26:43 -876.987633 0.2704 MDMin: 161 15:26:43 -876.987667 0.2471 MDMin: 162 15:26:43 -876.987701 0.2202 MDMin: 163 15:26:43 -876.987735 0.1976 MDMin: 164 15:26:43 -876.987771 0.1880 MDMin: 165 15:26:43 -876.987806 0.1779 MDMin: 166 15:26:43 -876.987840 0.1679 MDMin: 167 15:26:43 -876.987874 0.1579 MDMin: 168 15:26:43 -876.987910 0.1476 MDMin: 169 15:26:43 -876.987946 0.1373 MDMin: 170 15:26:43 -876.987981 0.1381 MDMin: 171 15:26:43 -876.988015 0.1432 MDMin: 172 15:26:44 -876.988050 0.1486 MDMin: 173 15:26:44 -876.988086 0.1545 MDMin: 174 15:26:44 -876.988122 0.1609 MDMin: 175 15:26:44 -876.988156 0.1678 MDMin: 176 15:26:44 -876.988191 0.1760 MDMin: 177 15:26:44 -876.988227 0.1860 MDMin: 178 15:26:44 -876.988263 0.1984 MDMin: 179 15:26:44 -876.988299 0.2128 MDMin: 180 15:26:44 -876.988333 0.2284 MDMin: 181 15:26:44 -876.988369 0.2457 MDMin: 182 15:26:44 -876.988406 0.2653 MDMin: 183 15:26:44 -876.988443 0.2857 MDMin: 184 15:26:44 -876.988478 0.3057 MDMin: 185 15:26:45 -876.988514 0.3255 MDMin: 186 15:26:45 -876.988550 0.3453 MDMin: 187 15:26:45 -876.988588 0.3640 MDMin: 188 15:26:45 -876.988624 0.3803 MDMin: 189 15:26:45 -876.988660 0.3942 MDMin: 190 15:26:45 -876.988696 0.4062 MDMin: 191 15:26:45 -876.988734 0.4161 MDMin: 192 15:26:45 -876.988771 0.4000 MDMin: 193 15:26:45 -876.988807 0.3485 MDMin: 194 15:26:45 -876.988842 0.2817 MDMin: 195 15:26:45 -876.988878 0.2495 MDMin: 196 15:26:45 -876.988915 0.2246 MDMin: 197 15:26:46 -876.988952 0.1938 MDMin: 198 15:26:46 -876.988988 0.1690 MDMin: 199 15:26:46 -876.989024 0.1602 MDMin: 200 15:26:46 -876.989062 0.1683 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate.