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: Fe EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002 bcc [2.8664998710155487] 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 16:57:28 -1071.530444 0.7452 MDMin: 1 16:57:28 -1071.637135 0.6002 MDMin: 2 16:57:28 -1071.794559 0.3683 MDMin: 3 16:57:28 -1071.850312 0.1255 MDMin: 4 16:57:29 -1071.858501 0.1390 MDMin: 5 16:57:29 -1071.860643 0.0893 MDMin: 6 16:57:29 -1071.862745 0.0762 MDMin: 7 16:57:30 -1071.863044 0.0558 MDMin: 8 16:57:31 -1071.863671 0.0430 MDMin: 9 16:57:31 -1071.864194 0.0377 MDMin: 10 16:57:32 -1071.864498 0.0342 MDMin: 11 16:57:32 -1071.864614 0.0293 MDMin: 12 16:57:32 -1071.864758 0.0265 MDMin: 13 16:57:33 -1071.864887 0.0235 MDMin: 14 16:57:33 -1071.864955 0.0217 MDMin: 15 16:57:34 -1071.864993 0.0206 MDMin: 16 16:57:34 -1071.865041 0.0190 MDMin: 17 16:57:35 -1071.865086 0.0173 MDMin: 18 16:57:35 -1071.865110 0.0162 MDMin: 19 16:57:36 -1071.865123 0.0156 MDMin: 20 16:57:37 -1071.865142 0.0161 MDMin: 21 16:57:38 -1071.865160 0.0169 MDMin: 22 16:57:38 -1071.865169 0.0176 MDMin: 23 16:57:39 -1071.865173 0.0181 MDMin: 24 16:57:39 -1071.865178 0.0190 MDMin: 25 16:57:39 -1071.865183 0.0207 MDMin: 26 16:57:39 -1071.865185 0.0227 MDMin: 27 16:57:39 -1071.865185 0.0240 MDMin: 28 16:57:39 -1071.865185 0.0254 MDMin: 29 16:57:40 -1071.865183 0.0281 MDMin: 30 16:57:40 -1071.865181 0.0319 MDMin: 31 16:57:40 -1071.865178 0.0355 MDMin: 32 16:57:40 -1071.865176 0.0382 MDMin: 33 16:57:41 -1071.865173 0.0420 MDMin: 34 16:57:41 -1071.865170 0.0478 MDMin: 35 16:57:42 -1071.865165 0.0545 MDMin: 36 16:57:42 -1071.865162 0.0598 MDMin: 37 16:57:43 -1071.865159 0.0647 MDMin: 38 16:57:43 -1071.865155 0.0713 MDMin: 39 16:57:43 -1071.865151 0.0793 MDMin: 40 16:57:43 -1071.865146 0.0862 MDMin: 41 16:57:43 -1071.865143 0.0909 MDMin: 42 16:57:44 -1071.865140 0.0954 MDMin: 43 16:57:44 -1071.865135 0.0997 MDMin: 44 16:57:44 -1071.865130 0.1025 MDMin: 45 16:57:44 -1071.865127 0.1032 MDMin: 46 16:57:45 -1071.865123 0.1028 MDMin: 47 16:57:45 -1071.865119 0.1009 MDMin: 48 16:57:46 -1071.865115 0.0971 MDMin: 49 16:57:47 -1071.865110 0.0926 MDMin: 50 16:57:47 -1071.865107 0.0887 MDMin: 51 16:57:48 -1071.865103 0.0835 MDMin: 52 16:57:49 -1071.865099 0.0765 MDMin: 53 16:57:50 -1071.865094 0.0701 MDMin: 54 16:57:50 -1071.865091 0.0655 MDMin: 55 16:57:51 -1071.865088 0.0607 MDMin: 56 16:57:51 -1071.865083 0.0547 MDMin: 57 16:57:52 -1071.865078 0.0491 MDMin: 58 16:57:53 -1071.865075 0.0454 MDMin: 59 16:57:53 -1071.865072 0.0421 MDMin: 60 16:57:54 -1071.865068 0.0379 MDMin: 61 16:57:55 -1071.865063 0.0336 MDMin: 62 16:57:55 -1071.865059 0.0307 MDMin: 63 16:57:56 -1071.865056 0.0287 MDMin: 64 16:57:56 -1071.865030 0.0660 MDMin: 65 16:57:57 -1071.864910 0.0607 MDMin: 66 16:57:58 -1071.864729 0.0566 MDMin: 67 16:57:59 -1071.864559 0.0564 MDMin: 68 16:57:59 -1071.864490 0.0569 MDMin: 69 16:58:00 -1071.864418 0.0573 MDMin: 70 16:58:01 -1071.864312 0.0575 MDMin: 71 16:58:02 -1071.864199 0.0570 MDMin: 72 16:58:03 -1071.864129 0.0559 MDMin: 73 16:58:04 -1071.864094 0.0551 MDMin: 74 16:58:05 -1071.864043 0.0612 MDMin: 75 16:58:06 -1071.863984 0.0735 MDMin: 76 16:58:07 -1071.863938 0.0864 MDMin: 77 16:58:08 -1071.863918 0.0939 MDMin: 78 16:58:08 -1071.863906 0.0997 MDMin: 79 16:58:09 -1071.863892 0.1081 MDMin: 80 16:58:11 -1071.863883 0.1177 MDMin: 81 16:58:12 -1071.863883 0.1243 MDMin: 82 16:58:14 -1071.863886 0.1271 MDMin: 83 16:58:15 -1071.863892 0.1292 MDMin: 84 16:58:15 -1071.863906 0.1305 MDMin: 85 16:58:16 -1071.863927 0.1295 MDMin: 86 16:58:17 -1071.863946 0.1273 MDMin: 87 16:58:17 -1071.863960 0.1251 MDMin: 88 16:58:18 -1071.863984 0.1207 MDMin: 89 16:58:19 -1071.864021 0.1132 MDMin: 90 16:58:20 -1071.864057 0.1056 MDMin: 91 16:58:20 -1071.864078 0.1013 MDMin: 92 16:58:21 -1071.864107 0.0953 MDMin: 93 16:58:22 -1071.864151 0.0864 MDMin: 94 16:58:23 -1071.864199 0.0774 MDMin: 95 16:58:24 -1071.864228 0.0724 MDMin: 96 16:58:25 -1071.864256 0.0679 MDMin: 97 16:58:26 -1071.864300 0.0611 MDMin: 98 16:58:27 -1071.864357 0.0534 MDMin: 99 16:58:28 -1071.864399 0.0483 MDMin: 100 16:58:28 -1071.864424 0.0456 MDMin: 101 16:58:28 -1071.864468 0.0412 MDMin: 102 16:58:29 -1071.864532 0.0351 MDMin: 103 16:58:31 -1071.864595 0.0301 MDMin: 104 16:58:32 -1071.864621 0.0283 MDMin: 105 16:58:32 -1071.864659 0.0258 MDMin: 106 16:58:33 -1071.864599 0.0712 MDMin: 107 16:58:33 -1071.864495 0.0652 MDMin: 108 16:58:34 -1071.864368 0.0610 MDMin: 109 16:58:35 -1071.864272 0.0595 MDMin: 110 16:58:36 -1071.864222 0.0589 MDMin: 111 16:58:37 -1071.864154 0.0577 MDMin: 112 16:58:38 -1071.864069 0.0552 MDMin: 113 16:58:39 -1071.864005 0.0525 MDMin: 114 16:58:41 -1071.863979 0.0510 MDMin: 115 16:58:43 -1071.863947 0.0489 MDMin: 116 16:58:44 -1071.863911 0.0453 MDMin: 117 16:58:45 -1071.863888 0.0413 MDMin: 118 16:58:46 -1071.863880 0.0392 MDMin: 119 16:58:47 -1071.863877 0.0372 MDMin: 120 16:58:48 -1071.863877 0.0340 MDMin: 121 16:58:49 -1071.863887 0.0301 MDMin: 122 16:58:50 -1071.863902 0.0273 MDMin: 123 16:58:51 -1071.863913 0.0282 MDMin: 124 16:58:52 -1071.863933 0.0297 MDMin: 125 16:58:53 -1071.863968 0.0320 MDMin: 126 16:58:54 -1071.864010 0.0346 MDMin: 127 16:58:54 -1071.864038 0.0364 MDMin: 128 16:58:55 -1071.864063 0.0379 MDMin: 129 16:58:56 -1071.864103 0.0405 MDMin: 130 16:58:57 -1071.864158 0.0442 MDMin: 131 16:58:57 -1071.864212 0.0480 MDMin: 132 16:58:58 -1071.864248 0.0508 MDMin: 133 16:58:59 -1071.864285 0.0538 MDMin: 134 16:59:01 -1071.864337 0.0583 MDMin: 135 16:59:02 -1071.864399 0.0641 MDMin: 136 16:59:02 -1071.864452 0.0696 MDMin: 137 16:59:03 -1071.864492 0.0741 MDMin: 138 16:59:04 -1071.864539 0.0797 MDMin: 139 16:59:04 -1071.864599 0.0871 MDMin: 140 16:59:05 -1071.864660 0.0953 MDMin: 141 16:59:05 -1071.864709 0.1022 MDMin: 142 16:59:06 -1071.864754 0.1085 MDMin: 143 16:59:07 -1071.864806 0.1157 MDMin: 144 16:59:08 -1071.864867 0.1237 MDMin: 145 16:59:08 -1071.864924 0.1308 MDMin: 146 16:59:09 -1071.864970 0.1360 MDMin: 147 16:59:09 -1071.865017 0.1405 MDMin: 148 16:59:09 -1071.865072 0.1441 MDMin: 149 16:59:10 -1071.865130 0.1458 MDMin: 150 16:59:10 -1071.865179 0.1456 MDMin: 151 16:59:11 -1071.865223 0.1444 MDMin: 152 16:59:11 -1071.865273 0.1416 MDMin: 153 16:59:11 -1071.865328 0.1368 MDMin: 154 16:59:12 -1071.865378 0.1313 MDMin: 155 16:59:12 -1071.865420 0.1260 MDMin: 156 16:59:12 -1071.865465 0.1196 MDMin: 157 16:59:13 -1071.865517 0.1116 MDMin: 158 16:59:14 -1071.865566 0.1036 MDMin: 159 16:59:14 -1071.865606 0.0971 MDMin: 160 16:59:15 -1071.865647 0.0905 MDMin: 161 16:59:15 -1071.865695 0.0827 MDMin: 162 16:59:16 -1071.865744 0.0750 MDMin: 163 16:59:16 -1071.865782 0.0692 MDMin: 164 16:59:17 -1071.865818 0.0640 MDMin: 165 16:59:18 -1071.865862 0.0580 MDMin: 166 16:59:19 -1071.865910 0.0519 MDMin: 167 16:59:20 -1071.865947 0.0475 MDMin: 168 16:59:21 -1071.865978 0.0441 MDMin: 169 16:59:22 -1071.866018 0.0398 MDMin: 170 16:59:22 -1071.866066 0.0351 MDMin: 171 16:59:23 -1071.866103 0.0318 MDMin: 172 16:59:24 -1071.866129 0.0297 MDMin: 173 16:59:25 -1071.866166 0.0267 MDMin: 174 16:59:26 -1071.866216 0.0241 MDMin: 175 16:59:26 -1071.866255 0.0238 MDMin: 176 16:59:27 -1071.866274 0.0236 MDMin: 177 16:59:28 -1071.866311 0.0232 MDMin: 178 16:59:28 -1071.866367 0.0227 MDMin: 179 16:59:29 -1071.866426 0.0221 MDMin: 180 16:59:30 -1071.866443 0.0220 MDMin: 181 16:59:31 -1071.866469 0.0217 MDMin: 182 16:59:31 -1071.866511 0.0213 MDMin: 183 16:59:32 -1071.866560 0.0208 MDMin: 184 16:59:33 -1071.866583 0.0206 MDMin: 185 16:59:33 -1071.866596 0.0205 MDMin: 186 16:59:34 -1071.866626 0.0202 MDMin: 187 16:59:34 -1071.866673 0.0198 MDMin: 188 16:59:35 -1071.866733 0.0192 MDMin: 189 16:59:36 -1071.866787 0.0187 MDMin: 190 16:59:36 -1071.866797 0.0186 MDMin: 191 16:59:37 -1071.866821 0.0183 MDMin: 192 16:59:38 -1071.866856 0.0180 MDMin: 193 16:59:38 -1071.866902 0.0175 MDMin: 194 16:59:39 -1071.866951 0.0170 MDMin: 195 16:59:39 -1071.866965 0.0169 MDMin: 196 16:59:40 -1071.866971 0.0168 MDMin: 197 16:59:40 -1071.866988 0.0167 MDMin: 198 16:59:41 -1071.867007 0.0165 MDMin: 199 16:59:42 -1071.867022 0.0163 MDMin: 200 16:59:42 -1071.867034 0.0162 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 1071.923492 Iterations: 14 Function evaluations: 28 Formation Energy: 1.9724416647022736 Migration Energy: 0.7880738332123656 Calculating Size 6 ... Step Time Energy fmax MDMin: 0 16:59:45 -1857.043286 0.7451 MDMin: 1 16:59:46 -1857.150054 0.6003 MDMin: 2 16:59:46 -1857.307148 0.3681 MDMin: 3 16:59:47 -1857.362983 0.1257 MDMin: 4 16:59:47 -1857.371126 0.1386 MDMin: 5 16:59:48 -1857.373278 0.0890 MDMin: 6 16:59:48 -1857.375453 0.0758 MDMin: 7 16:59:49 -1857.375797 0.0534 MDMin: 8 16:59:49 -1857.376489 0.0426 MDMin: 9 16:59:50 -1857.377087 0.0377 MDMin: 10 16:59:51 -1857.377439 0.0347 MDMin: 11 16:59:51 -1857.377576 0.0288 MDMin: 12 16:59:52 -1857.377751 0.0260 MDMin: 13 16:59:52 -1857.377915 0.0231 MDMin: 14 16:59:53 -1857.378008 0.0212 MDMin: 15 16:59:54 -1857.378061 0.0200 MDMin: 16 16:59:54 -1857.378128 0.0184 MDMin: 17 16:59:55 -1857.378192 0.0167 MDMin: 18 16:59:55 -1857.378229 0.0159 MDMin: 19 16:59:55 -1857.378252 0.0163 MDMin: 20 16:59:56 -1857.378283 0.0169 MDMin: 21 16:59:57 -1857.378315 0.0177 MDMin: 22 16:59:57 -1857.378333 0.0184 MDMin: 23 16:59:58 -1857.378342 0.0189 MDMin: 24 16:59:58 -1857.378356 0.0198 MDMin: 25 16:59:59 -1857.378372 0.0213 MDMin: 26 16:59:59 -1857.378381 0.0227 MDMin: 27 17:00:00 -1857.378385 0.0236 MDMin: 28 17:00:01 -1857.378389 0.0250 MDMin: 29 17:00:01 -1857.378394 0.0273 MDMin: 30 17:00:02 -1857.378397 0.0302 MDMin: 31 17:00:02 -1857.378398 0.0320 MDMin: 32 17:00:03 -1857.378398 0.0339 MDMin: 33 17:00:03 -1857.378398 0.0371 MDMin: 34 17:00:04 -1857.378397 0.0416 MDMin: 35 17:00:04 -1857.378396 0.0459 MDMin: 36 17:00:05 -1857.378395 0.0488 MDMin: 37 17:00:06 -1857.378393 0.0527 MDMin: 38 17:00:06 -1857.378390 0.0584 MDMin: 39 17:00:07 -1857.378387 0.0646 MDMin: 40 17:00:07 -1857.378385 0.0693 MDMin: 41 17:00:08 -1857.378382 0.0734 MDMin: 42 17:00:08 -1857.378379 0.0786 MDMin: 43 17:00:09 -1857.378375 0.0843 MDMin: 44 17:00:09 -1857.378372 0.0887 MDMin: 45 17:00:10 -1857.378369 0.0912 MDMin: 46 17:00:10 -1857.378366 0.0935 MDMin: 47 17:00:11 -1857.378362 0.0951 MDMin: 48 17:00:11 -1857.378358 0.0953 MDMin: 49 17:00:12 -1857.378355 0.0944 MDMin: 50 17:00:12 -1857.378352 0.0928 MDMin: 51 17:00:13 -1857.378348 0.0899 MDMin: 52 17:00:13 -1857.378344 0.0854 MDMin: 53 17:00:14 -1857.378340 0.0813 MDMin: 54 17:00:14 -1857.378337 0.0777 MDMin: 55 17:00:15 -1857.378334 0.0728 MDMin: 56 17:00:16 -1857.378329 0.0666 MDMin: 57 17:00:16 -1857.378325 0.0614 MDMin: 58 17:00:17 -1857.378322 0.0579 MDMin: 59 17:00:17 -1857.378319 0.0537 MDMin: 60 17:00:18 -1857.378314 0.0483 MDMin: 61 17:00:18 -1857.378265 0.0556 MDMin: 62 17:00:19 -1857.378199 0.0515 MDMin: 63 17:00:19 -1857.378087 0.0469 MDMin: 64 17:00:20 -1857.377943 0.0452 MDMin: 65 17:00:20 -1857.377848 0.0461 MDMin: 66 17:00:21 -1857.377805 0.0468 MDMin: 67 17:00:21 -1857.377718 0.0482 MDMin: 68 17:00:22 -1857.377595 0.0501 MDMin: 69 17:00:22 -1857.377464 0.0513 MDMin: 70 17:00:23 -1857.377389 0.0632 MDMin: 71 17:00:23 -1857.377369 0.0677 MDMin: 72 17:00:23 -1857.377322 0.0797 MDMin: 73 17:00:24 -1857.377268 0.0968 MDMin: 74 17:00:24 -1857.377226 0.1140 MDMin: 75 17:00:25 -1857.377210 0.1219 MDMin: 76 17:00:25 -1857.377203 0.1257 MDMin: 77 17:00:26 -1857.377192 0.1323 MDMin: 78 17:00:26 -1857.377184 0.1375 MDMin: 79 17:00:26 -1857.377191 0.1362 MDMin: 80 17:00:27 -1857.377207 0.1297 MDMin: 81 17:00:27 -1857.377212 0.1277 MDMin: 82 17:00:28 -1857.377230 0.1201 MDMin: 83 17:00:28 -1857.377257 0.1096 MDMin: 84 17:00:29 -1857.377275 0.1030 MDMin: 85 17:00:29 -1857.377288 0.0989 MDMin: 86 17:00:30 -1857.377313 0.0907 MDMin: 87 17:00:31 -1857.377356 0.0784 MDMin: 88 17:00:31 -1857.377405 0.0665 MDMin: 89 17:00:32 -1857.377425 0.0625 MDMin: 90 17:00:32 -1857.377444 0.0589 MDMin: 91 17:00:32 -1857.377481 0.0525 MDMin: 92 17:00:32 -1857.377536 0.0444 MDMin: 93 17:00:32 -1857.377583 0.0386 MDMin: 94 17:00:32 -1857.377599 0.0368 MDMin: 95 17:00:33 -1857.377638 0.0328 MDMin: 96 17:00:33 -1857.377703 0.0270 MDMin: 97 17:00:34 -1857.377749 0.0622 MDMin: 98 17:00:34 -1857.377604 0.0534 MDMin: 99 17:00:35 -1857.377474 0.0546 MDMin: 100 17:00:35 -1857.377429 0.0550 MDMin: 101 17:00:36 -1857.377381 0.0556 MDMin: 102 17:00:36 -1857.377313 0.0561 MDMin: 103 17:00:37 -1857.377247 0.0557 MDMin: 104 17:00:38 -1857.377215 0.0549 MDMin: 105 17:00:38 -1857.377203 0.0543 MDMin: 106 17:00:39 -1857.377182 0.0525 MDMin: 107 17:00:39 -1857.377166 0.0486 MDMin: 108 17:00:40 -1857.377178 0.0421 MDMin: 109 17:00:40 -1857.377212 0.0363 MDMin: 110 17:00:41 -1857.377221 0.0352 MDMin: 111 17:00:41 -1857.377253 0.0318 MDMin: 112 17:00:42 -1857.377297 0.0337 MDMin: 113 17:00:43 -1857.377331 0.0358 MDMin: 114 17:00:43 -1857.377355 0.0374 MDMin: 115 17:00:44 -1857.377395 0.0400 MDMin: 116 17:00:44 -1857.377452 0.0439 MDMin: 117 17:00:45 -1857.377509 0.0480 MDMin: 118 17:00:45 -1857.377546 0.0510 MDMin: 119 17:00:45 -1857.377584 0.0542 MDMin: 120 17:00:45 -1857.377637 0.0590 MDMin: 121 17:00:46 -1857.377703 0.0652 MDMin: 122 17:00:46 -1857.377759 0.0712 MDMin: 123 17:00:47 -1857.377801 0.0760 MDMin: 124 17:00:47 -1857.377850 0.0820 MDMin: 125 17:00:47 -1857.377912 0.0900 MDMin: 126 17:00:48 -1857.377977 0.0988 MDMin: 127 17:00:48 -1857.378030 0.1064 MDMin: 128 17:00:48 -1857.378077 0.1132 MDMin: 129 17:00:48 -1857.378133 0.1211 MDMin: 130 17:00:49 -1857.378197 0.1296 MDMin: 131 17:00:49 -1857.378257 0.1368 MDMin: 132 17:00:49 -1857.378306 0.1422 MDMin: 133 17:00:49 -1857.378356 0.1468 MDMin: 134 17:00:49 -1857.378416 0.1504 MDMin: 135 17:00:50 -1857.378476 0.1520 MDMin: 136 17:00:50 -1857.378528 0.1515 MDMin: 137 17:00:50 -1857.378575 0.1498 MDMin: 138 17:00:50 -1857.378629 0.1464 MDMin: 139 17:00:50 -1857.378688 0.1412 MDMin: 140 17:00:50 -1857.378740 0.1354 MDMin: 141 17:00:51 -1857.378785 0.1298 MDMin: 142 17:00:51 -1857.378834 0.1230 MDMin: 143 17:00:51 -1857.378890 0.1147 MDMin: 144 17:00:51 -1857.378942 0.1068 MDMin: 145 17:00:51 -1857.378984 0.1003 MDMin: 146 17:00:52 -1857.379029 0.0934 MDMin: 147 17:00:52 -1857.379081 0.0854 MDMin: 148 17:00:52 -1857.379133 0.0779 MDMin: 149 17:00:52 -1857.379172 0.0723 MDMin: 150 17:00:52 -1857.379213 0.0669 MDMin: 151 17:00:52 -1857.379262 0.0606 MDMin: 152 17:00:53 -1857.379312 0.0547 MDMin: 153 17:00:53 -1857.379350 0.0506 MDMin: 154 17:00:53 -1857.379386 0.0469 MDMin: 155 17:00:53 -1857.379432 0.0423 MDMin: 156 17:00:53 -1857.379481 0.0378 MDMin: 157 17:00:54 -1857.379517 0.0347 MDMin: 158 17:00:54 -1857.379548 0.0323 MDMin: 159 17:00:54 -1857.379590 0.0291 MDMin: 160 17:00:54 -1857.379641 0.0256 MDMin: 161 17:00:54 -1857.379677 0.0244 MDMin: 162 17:00:55 -1857.379701 0.0242 MDMin: 163 17:00:55 -1857.379740 0.0239 MDMin: 164 17:00:55 -1857.379794 0.0234 MDMin: 165 17:00:55 -1857.379836 0.0231 MDMin: 166 17:00:55 -1857.379854 0.0229 MDMin: 167 17:00:55 -1857.379892 0.0226 MDMin: 168 17:00:55 -1857.379953 0.0221 MDMin: 169 17:00:55 -1857.380031 0.0214 MDMin: 170 17:00:55 -1857.380072 0.0211 MDMin: 171 17:00:56 -1857.380081 0.0210 MDMin: 172 17:00:56 -1857.380116 0.0207 MDMin: 173 17:00:56 -1857.380135 0.0205 MDMin: 174 17:00:56 -1857.380160 0.0203 MDMin: 175 17:00:56 -1857.380196 0.0200 MDMin: 176 17:00:56 -1857.380230 0.0197 MDMin: 177 17:00:57 -1857.380250 0.0195 MDMin: 178 17:00:57 -1857.380269 0.0193 MDMin: 179 17:00:57 -1857.380296 0.0191 MDMin: 180 17:00:57 -1857.380329 0.0188 MDMin: 181 17:00:57 -1857.380353 0.0186 MDMin: 182 17:00:58 -1857.380367 0.0184 MDMin: 183 17:00:58 -1857.380389 0.0182 MDMin: 184 17:00:58 -1857.380419 0.0179 MDMin: 185 17:00:59 -1857.380446 0.0177 MDMin: 186 17:00:59 -1857.380460 0.0176 MDMin: 187 17:00:59 -1857.380475 0.0174 MDMin: 188 17:01:00 -1857.380498 0.0172 MDMin: 189 17:01:00 -1857.380522 0.0170 MDMin: 190 17:01:01 -1857.380539 0.0168 MDMin: 191 17:01:01 -1857.380550 0.0167 MDMin: 192 17:01:02 -1857.380566 0.0165 MDMin: 193 17:01:02 -1857.380589 0.0163 MDMin: 194 17:01:02 -1857.380608 0.0161 MDMin: 195 17:01:03 -1857.380617 0.0160 MDMin: 196 17:01:03 -1857.380629 0.0159 MDMin: 197 17:01:03 -1857.380646 0.0157 MDMin: 198 17:01:03 -1857.380664 0.0155 MDMin: 199 17:01:04 -1857.380675 0.0154 MDMin: 200 17:01:04 -1857.380683 0.0153 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 1857.378970 Iterations: 17 Function evaluations: 34 Formation Energy: 1.9721963812605736 Migration Energy: 0.8448466139395805 Calculating Size 7 ... Step Time Energy fmax MDMin: 0 17:01:05 -2953.307384 0.7454 MDMin: 1 17:01:05 -2953.414177 0.6005 MDMin: 2 17:01:05 -2953.571277 0.3682 MDMin: 3 17:01:06 -2953.627170 0.1252 MDMin: 4 17:01:06 -2953.635329 0.1390 MDMin: 5 17:01:06 -2953.637499 0.0893 MDMin: 6 17:01:07 -2953.639694 0.0760 MDMin: 7 17:01:07 -2953.640047 0.0534 MDMin: 8 17:01:08 -2953.640761 0.0420 MDMin: 9 17:01:08 -2953.641391 0.0378 MDMin: 10 17:01:08 -2953.641775 0.0363 MDMin: 11 17:01:09 -2953.641927 0.0284 MDMin: 12 17:01:09 -2953.642116 0.0257 MDMin: 13 17:01:10 -2953.642299 0.0228 MDMin: 14 17:01:10 -2953.642412 0.0209 MDMin: 15 17:01:10 -2953.642476 0.0198 MDMin: 16 17:01:11 -2953.642554 0.0183 MDMin: 17 17:01:11 -2953.642633 0.0166 MDMin: 18 17:01:11 -2953.642682 0.0155 MDMin: 19 17:01:12 -2953.642713 0.0157 MDMin: 20 17:01:12 -2953.642753 0.0164 MDMin: 21 17:01:12 -2953.642795 0.0173 MDMin: 22 17:01:13 -2953.642821 0.0181 MDMin: 23 17:01:13 -2953.642837 0.0187 MDMin: 24 17:01:13 -2953.642859 0.0196 MDMin: 25 17:01:13 -2953.642883 0.0210 MDMin: 26 17:01:13 -2953.642899 0.0223 MDMin: 27 17:01:13 -2953.642906 0.0231 MDMin: 28 17:01:14 -2953.642917 0.0243 MDMin: 29 17:01:14 -2953.642928 0.0264 MDMin: 30 17:01:14 -2953.642937 0.0286 MDMin: 31 17:01:14 -2953.642941 0.0300 MDMin: 32 17:01:14 -2953.642944 0.0316 MDMin: 33 17:01:14 -2953.642948 0.0341 MDMin: 34 17:01:14 -2953.642951 0.0374 MDMin: 35 17:01:14 -2953.642952 0.0400 MDMin: 36 17:01:14 -2953.642953 0.0420 MDMin: 37 17:01:15 -2953.642953 0.0450 MDMin: 38 17:01:15 -2953.642953 0.0492 MDMin: 39 17:01:15 -2953.642952 0.0534 MDMin: 40 17:01:15 -2953.642951 0.0564 MDMin: 41 17:01:15 -2953.642949 0.0594 MDMin: 42 17:01:15 -2953.642947 0.0637 MDMin: 43 17:01:15 -2953.642930 0.0646 MDMin: 44 17:01:15 -2953.642894 0.0549 MDMin: 45 17:01:15 -2953.642822 0.0381 MDMin: 46 17:01:16 -2953.642721 0.0293 MDMin: 47 17:01:16 -2953.642662 0.0298 MDMin: 48 17:01:16 -2953.642647 0.0301 MDMin: 49 17:01:16 -2953.642596 0.0310 MDMin: 50 17:01:16 -2953.642559 0.0318 MDMin: 51 17:01:16 -2953.642528 0.0326 MDMin: 52 17:01:16 -2953.642485 0.0336 MDMin: 53 17:01:16 -2953.642438 0.0363 MDMin: 54 17:01:16 -2953.642400 0.0443 MDMin: 55 17:01:17 -2953.642372 0.0512 MDMin: 56 17:01:17 -2953.642339 0.0606 MDMin: 57 17:01:17 -2953.642299 0.0733 MDMin: 58 17:01:17 -2953.642261 0.0870 MDMin: 59 17:01:17 -2953.642233 0.0980 MDMin: 60 17:01:17 -2953.642208 0.1084 MDMin: 61 17:01:17 -2953.642178 0.1203 MDMin: 62 17:01:17 -2953.642146 0.1319 MDMin: 63 17:01:17 -2953.642119 0.1400 MDMin: 64 17:01:17 -2953.642098 0.1446 MDMin: 65 17:01:18 -2953.642076 0.1474 MDMin: 66 17:01:18 -2953.642051 0.1478 MDMin: 67 17:01:18 -2953.642029 0.1452 MDMin: 68 17:01:18 -2953.642011 0.1413 MDMin: 69 17:01:18 -2953.641994 0.1362 MDMin: 70 17:01:18 -2953.641976 0.1285 MDMin: 71 17:01:18 -2953.641957 0.1194 MDMin: 72 17:01:18 -2953.641943 0.1115 MDMin: 73 17:01:18 -2953.641930 0.1044 MDMin: 74 17:01:19 -2953.641916 0.0957 MDMin: 75 17:01:19 -2953.641902 0.0861 MDMin: 76 17:01:19 -2953.641890 0.0785 MDMin: 77 17:01:19 -2953.641881 0.0727 MDMin: 78 17:01:19 -2953.641872 0.0660 MDMin: 79 17:01:19 -2953.641861 0.0586 MDMin: 80 17:01:19 -2953.641852 0.0527 MDMin: 81 17:01:19 -2953.641846 0.0488 MDMin: 82 17:01:19 -2953.641839 0.0444 MDMin: 83 17:01:20 -2953.641832 0.0393 MDMin: 84 17:01:20 -2953.641825 0.0349 MDMin: 85 17:01:20 -2953.641822 0.0322 MDMin: 86 17:01:20 -2953.641818 0.0295 MDMin: 87 17:01:20 -2953.641813 0.0261 MDMin: 88 17:01:20 -2953.641809 0.0229 MDMin: 89 17:01:20 -2953.641807 0.0211 MDMin: 90 17:01:21 -2953.641805 0.0194 MDMin: 91 17:01:21 -2953.641803 0.0187 MDMin: 92 17:01:21 -2953.641802 0.0190 MDMin: 93 17:01:21 -2953.641801 0.0191 MDMin: 94 17:01:21 -2953.641800 0.0192 MDMin: 95 17:01:21 -2953.641777 0.0571 MDMin: 96 17:01:21 -2953.641759 0.0513 MDMin: 97 17:01:22 -2953.641739 0.0430 MDMin: 98 17:01:22 -2953.641743 0.0354 MDMin: 99 17:01:22 -2953.641758 0.0323 MDMin: 100 17:01:22 -2953.641764 0.0315 MDMin: 101 17:01:22 -2953.641790 0.0286 MDMin: 102 17:01:22 -2953.641814 0.0626 MDMin: 103 17:01:22 -2953.641816 0.0547 MDMin: 104 17:01:22 -2953.641820 0.0350 MDMin: 105 17:01:22 -2953.641831 0.0216 MDMin: 106 17:01:23 -2953.641842 0.0184 MDMin: 107 17:01:23 -2953.641844 0.0185 MDMin: 108 17:01:23 -2953.641852 0.0187 MDMin: 109 17:01:23 -2953.641854 0.0187 MDMin: 110 17:01:23 -2953.641862 0.0188 MDMin: 111 17:01:23 -2953.641870 0.0190 MDMin: 112 17:01:23 -2953.641876 0.0191 MDMin: 113 17:01:24 -2953.641883 0.0192 MDMin: 114 17:01:24 -2953.641893 0.0193 MDMin: 115 17:01:24 -2953.641902 0.0194 MDMin: 116 17:01:24 -2953.641909 0.0195 MDMin: 117 17:01:24 -2953.641916 0.0196 MDMin: 118 17:01:24 -2953.641926 0.0198 MDMin: 119 17:01:24 -2953.641936 0.0200 MDMin: 120 17:01:24 -2953.641944 0.0201 MDMin: 121 17:01:25 -2953.641952 0.0202 MDMin: 122 17:01:25 -2953.641961 0.0204 MDMin: 123 17:01:25 -2953.641971 0.0207 MDMin: 124 17:01:25 -2953.641981 0.0209 MDMin: 125 17:01:25 -2953.641989 0.0211 MDMin: 126 17:01:25 -2953.641997 0.0214 MDMin: 127 17:01:25 -2953.642007 0.0217 MDMin: 128 17:01:25 -2953.642017 0.0221 MDMin: 129 17:01:25 -2953.642026 0.0224 MDMin: 130 17:01:26 -2953.642034 0.0228 MDMin: 131 17:01:26 -2953.642043 0.0232 MDMin: 132 17:01:26 -2953.642054 0.0238 MDMin: 133 17:01:26 -2953.642063 0.0244 MDMin: 134 17:01:26 -2953.642071 0.0250 MDMin: 135 17:01:26 -2953.642079 0.0257 MDMin: 136 17:01:26 -2953.642089 0.0265 MDMin: 137 17:01:27 -2953.642098 0.0274 MDMin: 138 17:01:27 -2953.642107 0.0283 MDMin: 139 17:01:28 -2953.642115 0.0293 MDMin: 140 17:01:28 -2953.642124 0.0304 MDMin: 141 17:01:28 -2953.642133 0.0318 MDMin: 142 17:01:29 -2953.642142 0.0333 MDMin: 143 17:01:29 -2953.642149 0.0348 MDMin: 144 17:01:30 -2953.642157 0.0365 MDMin: 145 17:01:30 -2953.642166 0.0386 MDMin: 146 17:01:30 -2953.642174 0.0409 MDMin: 147 17:01:31 -2953.642182 0.0434 MDMin: 148 17:01:31 -2953.642190 0.0459 MDMin: 149 17:01:32 -2953.642198 0.0489 MDMin: 150 17:01:32 -2953.642206 0.0524 MDMin: 151 17:01:32 -2953.642213 0.0561 MDMin: 152 17:01:33 -2953.642220 0.0598 MDMin: 153 17:01:33 -2953.642228 0.0638 MDMin: 154 17:01:34 -2953.642235 0.0683 MDMin: 155 17:01:34 -2953.642242 0.0730 MDMin: 156 17:01:34 -2953.642249 0.0778 MDMin: 157 17:01:35 -2953.642256 0.0826 MDMin: 158 17:01:35 -2953.642263 0.0876 MDMin: 159 17:01:36 -2953.642269 0.0926 MDMin: 160 17:01:36 -2953.642276 0.0973 MDMin: 161 17:01:36 -2953.642282 0.1014 MDMin: 162 17:01:37 -2953.642288 0.1048 MDMin: 163 17:01:37 -2953.642294 0.1076 MDMin: 164 17:01:38 -2953.642300 0.1096 MDMin: 165 17:01:38 -2953.642306 0.1107 MDMin: 166 17:01:38 -2953.642311 0.1110 MDMin: 167 17:01:39 -2953.642317 0.1105 MDMin: 168 17:01:39 -2953.642322 0.1091 MDMin: 169 17:01:39 -2953.642328 0.1069 MDMin: 170 17:01:40 -2953.642333 0.1041 MDMin: 171 17:01:40 -2953.642337 0.1007 MDMin: 172 17:01:40 -2953.642342 0.0967 MDMin: 173 17:01:41 -2953.642347 0.0923 MDMin: 174 17:01:41 -2953.642352 0.0878 MDMin: 175 17:01:41 -2953.642356 0.0831 MDMin: 176 17:01:42 -2953.642360 0.0782 MDMin: 177 17:01:42 -2953.642365 0.0733 MDMin: 178 17:01:42 -2953.642369 0.0686 MDMin: 179 17:01:43 -2953.642372 0.0641 MDMin: 180 17:01:43 -2953.642376 0.0596 MDMin: 181 17:01:44 -2953.642380 0.0553 MDMin: 182 17:01:44 -2953.642384 0.0514 MDMin: 183 17:01:44 -2953.642387 0.0479 MDMin: 184 17:01:45 -2953.642390 0.0444 MDMin: 185 17:01:45 -2953.642394 0.0409 MDMin: 186 17:01:46 -2953.642397 0.0379 MDMin: 187 17:01:46 -2953.642400 0.0351 MDMin: 188 17:01:46 -2953.642403 0.0325 MDMin: 189 17:01:46 -2953.642406 0.0299 MDMin: 190 17:01:47 -2953.642408 0.0276 MDMin: 191 17:01:47 -2953.642411 0.0256 MDMin: 192 17:01:47 -2953.642413 0.0236 MDMin: 193 17:01:47 -2953.642416 0.0230 MDMin: 194 17:01:47 -2953.642418 0.0229 MDMin: 195 17:01:48 -2953.642420 0.0228 MDMin: 196 17:01:48 -2953.642422 0.0226 MDMin: 197 17:01:48 -2953.642424 0.0225 MDMin: 198 17:01:48 -2953.642426 0.0223 MDMin: 199 17:01:48 -2953.642428 0.0221 MDMin: 200 17:01:49 -2953.642429 0.0220 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 2953.642109 Iterations: 16 Function evaluations: 32 Formation Energy: 1.9720890071153008 Migration Energy: 0.8458224040246023 [Calculation Results Summary] Size MigrationEnergy FormationEnergy [5, 0.7880738332123656, 1.9724416647022736] [6, 0.8448466139395805, 1.9721963812605736] [7, 0.8458224040246023, 1.9720890071153008] [Extrapolation] Fitting w/ 2 points, including orders [0, 3] Fit with Size: [5 6] Orders: [0, 3] Matrix A (Ax = y): [[1. 0.008 ] [1. 0.00462963]] Data for Fitting: [0.7880738332123656, 0.8448466139395805] Fitting Results: (array([ 0.9228312, -16.8446712]), array([], dtype=float64), 2, array([1.41424176, 0.00238316])) Fit with Size: [6 7] Orders: [0, 3] Matrix A (Ax = y): [[1. 0.00462963] [1. 0.00291545]] Data for Fitting: [0.8448466139395805, 0.8458224040246023] Fitting Results: (array([ 0.84748202, -0.56924674]), array([], dtype=float64), 2, array([1.41422363e+00, 1.21209807e-03])) Fitting w/ 3 points, including orders [0, 3] Fit with Size: [5 6 7] Orders: [0, 3] Matrix A (Ax = y): [[1. 0.008 ] [1. 0.00462963] [1. 0.00291545]] Data for Fitting: [0.7880738332123656, 0.8448466139395805, 0.8458224040246023] Fitting Results: (array([ 0.88905235, -12.12050152]), array([0.00022021]), 2, array([1.73207406, 0.00365829])) Fitting w/ 2 points, including orders [0, 3] Fit with Size: [5 6] Orders: [0, 3] Matrix A (Ax = y): [[1. 0.008 ] [1. 0.00462963]] Data for Fitting: [1.9724416647022736, 1.9721963812605736] Fitting Results: (array([1.97185945, 0.07277641]), array([], dtype=float64), 2, array([1.41424176, 0.00238316])) Fit with Size: [6 7] Orders: [0, 3] Matrix A (Ax = y): [[1. 0.00462963] [1. 0.00291545]] Data for Fitting: [1.9721963812605736, 1.9720890071153008] Fitting Results: (array([1.97190639, 0.06263886]), array([], dtype=float64), 2, array([1.41422363e+00, 1.21209807e-03])) Fitting w/ 3 points, including orders [0, 3] Fit with Size: [5 6 7] Orders: [0, 3] Matrix A (Ax = y): [[1. 0.008 ] [1. 0.00462963] [1. 0.00291545]] Data for Fitting: [1.9724416647022736, 1.9721963812605736, 1.9720890071153008] Fitting Results: (array([1.97188049, 0.06983384]), array([8.54362332e-11]), 2, array([1.73207406, 0.00365829])) Vacancy Migration Energy: [0.847482015507789, 0.04157032962047191] Vacancy Formation Energy: [1.971906386521766, 2.5893086323725e-05] FIRE Uncertainty: 0.0 [Final Results] [ { "property-id" "tag:staff@noreply.openkim.org,2015-09-16:property/monovacancy-neutral-migration-energy-crystal-npt" "instance-id" 1 "vacancy-migration-energy" { "source-value" 0.847482015507789 "source-unit" "eV" "source-std-uncert-value" 0.04157032962047191 } "host-missing-atom-start" { "source-value" 1 } "host-missing-atom-end" { "source-value" 1 } "host-cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "host-short-name" { "source-value" [ "bcc" ] } "host-a" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "host-b" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "host-c" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "host-alpha" { "source-value" 90.0 "source-unit" "degree" } "host-beta" { "source-value" 90.0 "source-unit" "degree" } "host-gamma" { "source-value" 90.0 "source-unit" "degree" } "host-space-group" { "source-value" "Im-3m" } "host-wyckoff-multiplicity-and-letter" { "source-value" [ "2a" ] } "host-wyckoff-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "host-wyckoff-species" { "source-value" [ "Fe" ] } } { "property-id" "tag:staff@noreply.openkim.org,2015-07-28:property/monovacancy-neutral-relaxed-formation-potential-energy-crystal-npt" "instance-id" 2 "relaxed-formation-potential-energy" { "source-value" 1.971906386521766 "source-unit" "eV" "source-std-uncert-value" 2.5893086323725e-05 } "host-removed-atom" { "source-value" 1 } "host-cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "host-short-name" { "source-value" [ "bcc" ] } "host-a" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "host-b" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "host-c" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "host-alpha" { "source-value" 90.0 "source-unit" "degree" } "host-beta" { "source-value" 90.0 "source-unit" "degree" } "host-gamma" { "source-value" 90.0 "source-unit" "degree" } "host-space-group" { "source-value" "Im-3m" } "host-wyckoff-multiplicity-and-letter" { "source-value" [ "2a" ] } "host-wyckoff-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "host-wyckoff-species" { "source-value" [ "Fe" ] } "reservoir-cohesive-potential-energy" { "source-value" -8.632000059061586 "source-unit" "eV" } "reservoir-short-name" { "source-value" [ "bcc" ] } "reservoir-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "GPa" } "reservoir-a" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "reservoir-b" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "reservoir-c" { "source-value" 2.8664998710155487 "source-unit" "angstrom" } "reservoir-alpha" { "source-value" 90.0 "source-unit" "degree" } "reservoir-beta" { "source-value" 90.0 "source-unit" "degree" } "reservoir-gamma" { "source-value" 90.0 "source-unit" "degree" } "reservoir-space-group" { "source-value" "Im-3m" } "reservoir-wyckoff-multiplicity-and-letter" { "source-value" [ "2a" ] } "reservoir-wyckoff-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] ] } "reservoir-wyckoff-species" { "source-value" [ "Fe" ] } } ] Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26