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_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002 bcc [2.8665045946836467] 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 16:57:30 -3453.850970 0.7762 MDMin: 1 16:57:30 -3453.939620 0.6379 MDMin: 2 16:57:31 -3454.096766 0.3981 MDMin: 3 16:57:31 -3454.188549 0.2360 MDMin: 4 16:57:32 -3454.214006 0.3547 MDMin: 5 16:57:32 -3454.217021 0.2222 MDMin: 6 16:57:32 -3454.220859 0.1184 MDMin: 7 16:57:32 -3454.221920 0.0953 MDMin: 8 16:57:32 -3454.223442 0.0824 MDMin: 9 16:57:32 -3454.224207 0.0624 MDMin: 10 16:57:33 -3454.224554 0.0580 MDMin: 11 16:57:33 -3454.224970 0.0669 MDMin: 12 16:57:33 -3454.225323 0.0499 MDMin: 13 16:57:33 -3454.225520 0.0365 MDMin: 14 16:57:33 -3454.225633 0.0554 MDMin: 15 16:57:33 -3454.225743 0.0395 MDMin: 16 16:57:34 -3454.225861 0.0501 MDMin: 17 16:57:34 -3454.225928 0.0366 MDMin: 18 16:57:35 -3454.225971 0.0285 MDMin: 19 16:57:35 -3454.226017 0.0479 MDMin: 20 16:57:35 -3454.226050 0.0302 MDMin: 21 16:57:35 -3454.226071 0.0405 MDMin: 22 16:57:35 -3454.226090 0.0305 MDMin: 23 16:57:36 -3454.226104 0.0382 MDMin: 24 16:57:36 -3454.226119 0.0276 MDMin: 25 16:57:36 -3454.226134 0.0396 MDMin: 26 16:57:36 -3454.226141 0.0295 MDMin: 27 16:57:37 -3454.226146 0.0373 MDMin: 28 16:57:37 -3454.226149 0.0309 MDMin: 29 16:57:37 -3454.226154 0.0197 MDMin: 30 16:57:37 -3454.226160 0.0208 MDMin: 31 16:57:37 -3454.226161 0.0488 MDMin: 32 16:57:38 -3454.226161 0.0428 MDMin: 33 16:57:38 -3454.226160 0.0244 MDMin: 34 16:57:38 -3454.226160 0.0244 MDMin: 35 16:57:38 -3454.226159 0.0245 MDMin: 36 16:57:39 -3454.226158 0.0244 MDMin: 37 16:57:39 -3454.226154 0.0480 MDMin: 38 16:57:39 -3454.226154 0.0420 MDMin: 39 16:57:39 -3454.226153 0.0272 MDMin: 40 16:57:40 -3454.226153 0.0258 MDMin: 41 16:57:40 -3454.226151 0.0251 MDMin: 42 16:57:40 -3454.226148 0.0423 MDMin: 43 16:57:40 -3454.226148 0.0368 MDMin: 44 16:57:40 -3454.226146 0.0331 MDMin: 45 16:57:41 -3454.226146 0.0313 MDMin: 46 16:57:41 -3454.226145 0.0363 MDMin: 47 16:57:41 -3454.226144 0.0300 MDMin: 48 16:57:41 -3454.226144 0.0320 MDMin: 49 16:57:42 -3454.226141 0.0375 MDMin: 50 16:57:42 -3454.226141 0.0369 MDMin: 51 16:57:42 -3454.226140 0.0388 MDMin: 52 16:57:42 -3454.226139 0.0368 MDMin: 53 16:57:42 -3454.226138 0.0365 MDMin: 54 16:57:42 -3454.226137 0.0390 MDMin: 55 16:57:43 -3454.226137 0.0364 MDMin: 56 16:57:43 -3454.226136 0.0403 MDMin: 57 16:57:43 -3454.226136 0.0361 MDMin: 58 16:57:43 -3454.226135 0.0415 MDMin: 59 16:57:43 -3454.226134 0.0358 MDMin: 60 16:57:43 -3454.226134 0.0428 MDMin: 61 16:57:44 -3454.226133 0.0355 MDMin: 62 16:57:44 -3454.226133 0.0442 MDMin: 63 16:57:44 -3454.226132 0.0352 MDMin: 64 16:57:44 -3454.226132 0.0457 MDMin: 65 16:57:44 -3454.226131 0.0349 MDMin: 66 16:57:44 -3454.226130 0.0473 MDMin: 67 16:57:45 -3454.226130 0.0348 MDMin: 68 16:57:45 -3454.226129 0.0489 MDMin: 69 16:57:45 -3454.226129 0.0350 MDMin: 70 16:57:45 -3454.226128 0.0505 MDMin: 71 16:57:45 -3454.226128 0.0353 MDMin: 72 16:57:45 -3454.226127 0.0522 MDMin: 73 16:57:46 -3454.226126 0.0355 MDMin: 74 16:57:46 -3454.226126 0.0332 MDMin: 75 16:57:46 -3454.226124 0.0495 MDMin: 76 16:57:46 -3454.226124 0.0516 MDMin: 77 16:57:46 -3454.226123 0.0371 MDMin: 78 16:57:46 -3454.226123 0.0346 MDMin: 79 16:57:47 -3454.226121 0.0520 MDMin: 80 16:57:47 -3454.226121 0.0540 MDMin: 81 16:57:47 -3454.226120 0.0378 MDMin: 82 16:57:47 -3454.226120 0.0352 MDMin: 83 16:57:47 -3454.226118 0.0544 MDMin: 84 16:57:47 -3454.226118 0.0565 MDMin: 85 16:57:48 -3454.226117 0.0385 MDMin: 86 16:57:48 -3454.226116 0.0359 MDMin: 87 16:57:48 -3454.226115 0.0568 MDMin: 88 16:57:48 -3454.226115 0.0587 MDMin: 89 16:57:48 -3454.226114 0.0391 MDMin: 90 16:57:48 -3454.226113 0.0364 MDMin: 91 16:57:49 -3454.226112 0.0590 MDMin: 92 16:57:49 -3454.226112 0.0608 MDMin: 93 16:57:49 -3454.226111 0.0396 MDMin: 94 16:57:49 -3454.226111 0.0369 MDMin: 95 16:57:49 -3454.226110 0.0609 MDMin: 96 16:57:49 -3454.226109 0.0329 MDMin: 97 16:57:50 -3454.226109 0.0613 MDMin: 98 16:57:50 -3454.226108 0.0350 MDMin: 99 16:57:50 -3454.226108 0.0330 MDMin: 100 16:57:50 -3454.226107 0.0587 MDMin: 101 16:57:50 -3454.226107 0.0603 MDMin: 102 16:57:50 -3454.226106 0.0393 MDMin: 103 16:57:51 -3454.226106 0.0366 MDMin: 104 16:57:51 -3454.226105 0.0296 MDMin: 105 16:57:51 -3454.226103 0.0541 MDMin: 106 16:57:51 -3454.226103 0.0557 MDMin: 107 16:57:51 -3454.226103 0.0378 MDMin: 108 16:57:51 -3454.226103 0.0352 MDMin: 109 16:57:51 -3454.226102 0.0558 MDMin: 110 16:57:51 -3454.226102 0.0572 MDMin: 111 16:57:51 -3454.226101 0.0403 MDMin: 112 16:57:51 -3454.226101 0.0376 MDMin: 113 16:57:51 -3454.226100 0.0304 MDMin: 114 16:57:52 -3454.226099 0.0516 MDMin: 115 16:57:52 -3454.226099 0.0530 MDMin: 116 16:57:52 -3454.226098 0.0384 MDMin: 117 16:57:52 -3454.226098 0.0358 MDMin: 118 16:57:52 -3454.226098 0.0530 MDMin: 119 16:57:52 -3454.226098 0.0326 MDMin: 120 16:57:52 -3454.226098 0.0531 MDMin: 121 16:57:52 -3454.226097 0.0348 MDMin: 122 16:57:52 -3454.226097 0.0342 MDMin: 123 16:57:52 -3454.226097 0.0508 MDMin: 124 16:57:52 -3454.226097 0.0521 MDMin: 125 16:57:53 -3454.226096 0.0400 MDMin: 126 16:57:53 -3454.226096 0.0373 MDMin: 127 16:57:53 -3454.226096 0.0402 MDMin: 128 16:57:53 -3454.226096 0.0470 MDMin: 129 16:57:53 -3454.226096 0.0483 MDMin: 130 16:57:53 -3454.226096 0.0434 MDMin: 131 16:57:53 -3454.226096 0.0450 MDMin: 132 16:57:54 -3454.226096 0.0483 MDMin: 133 16:57:54 -3454.226096 0.0494 MDMin: 134 16:57:55 -3454.226096 0.0523 MDMin: 135 16:57:55 -3454.226096 0.0555 MDMin: 136 16:57:55 -3454.226096 0.0564 MDMin: 137 16:57:56 -3454.226096 0.0505 MDMin: 138 16:57:56 -3454.226097 0.0348 MDMin: 139 16:57:57 -3454.226099 0.0347 MDMin: 140 16:57:57 -3454.226099 0.0164 MDMin: 141 16:57:57 -3454.226100 0.0197 MDMin: 142 16:57:58 -3454.226100 0.0137 MDMin: 143 16:57:58 -3454.226100 0.0125 MDMin: 144 16:57:58 -3454.226100 0.0125 MDMin: 145 16:57:58 -3454.226101 0.0124 MDMin: 146 16:57:59 -3454.226101 0.0124 MDMin: 147 16:57:59 -3454.226102 0.0123 MDMin: 148 16:58:00 -3454.226102 0.0123 MDMin: 149 16:58:01 -3454.226103 0.0122 MDMin: 150 16:58:01 -3454.226103 0.0122 MDMin: 151 16:58:01 -3454.226103 0.0121 MDMin: 152 16:58:02 -3454.226104 0.0120 MDMin: 153 16:58:02 -3454.226104 0.0120 MDMin: 154 16:58:02 -3454.226105 0.0119 MDMin: 155 16:58:03 -3454.226105 0.0119 MDMin: 156 16:58:03 -3454.226106 0.0118 MDMin: 157 16:58:04 -3454.226107 0.0118 MDMin: 158 16:58:04 -3454.226107 0.0117 MDMin: 159 16:58:05 -3454.226107 0.0117 MDMin: 160 16:58:06 -3454.226108 0.0116 MDMin: 161 16:58:07 -3454.226109 0.0116 MDMin: 162 16:58:07 -3454.226109 0.0116 MDMin: 163 16:58:08 -3454.226110 0.0116 MDMin: 164 16:58:08 -3454.226110 0.0116 MDMin: 165 16:58:09 -3454.226111 0.0116 MDMin: 166 16:58:10 -3454.226112 0.0116 MDMin: 167 16:58:10 -3454.226112 0.0116 MDMin: 168 16:58:10 -3454.226113 0.0116 MDMin: 169 16:58:10 -3454.226114 0.0116 MDMin: 170 16:58:11 -3454.226114 0.0119 MDMin: 171 16:58:11 -3454.226115 0.0120 MDMin: 172 16:58:11 -3454.226116 0.0122 MDMin: 173 16:58:11 -3454.226116 0.0124 MDMin: 174 16:58:11 -3454.226117 0.0127 MDMin: 175 16:58:11 -3454.226118 0.0130 MDMin: 176 16:58:11 -3454.226118 0.0132 MDMin: 177 16:58:11 -3454.226119 0.0135 MDMin: 178 16:58:12 -3454.226120 0.0139 MDMin: 179 16:58:12 -3454.226120 0.0143 MDMin: 180 16:58:12 -3454.226121 0.0146 MDMin: 181 16:58:13 -3454.226122 0.0150 MDMin: 182 16:58:14 -3454.226122 0.0154 MDMin: 183 16:58:15 -3454.226123 0.0160 MDMin: 184 16:58:16 -3454.226124 0.0165 MDMin: 185 16:58:16 -3454.226124 0.0170 MDMin: 186 16:58:16 -3454.226125 0.0176 MDMin: 187 16:58:17 -3454.226126 0.0184 MDMin: 188 16:58:17 -3454.226126 0.0192 MDMin: 189 16:58:18 -3454.226127 0.0199 MDMin: 190 16:58:18 -3454.226128 0.0208 MDMin: 191 16:58:19 -3454.226128 0.0218 MDMin: 192 16:58:19 -3454.226129 0.0230 MDMin: 193 16:58:20 -3454.226130 0.0242 MDMin: 194 16:58:21 -3454.226130 0.0254 MDMin: 195 16:58:21 -3454.226131 0.0268 MDMin: 196 16:58:22 -3454.226132 0.0286 MDMin: 197 16:58:23 -3454.226132 0.0305 MDMin: 198 16:58:23 -3454.226133 0.0324 MDMin: 199 16:58:24 -3454.226133 0.0344 MDMin: 200 16:58:24 -3454.226134 0.0368 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 3454.225003 Iterations: 18 Function evaluations: 36 Formation Energy: 1.94360960459926 Migration Energy: 0.851397810914932 Calculating Size 6 ... Step Time Energy fmax MDMin: 0 16:58:25 -5980.669697 0.7766 MDMin: 1 16:58:26 -5980.758406 0.6379 MDMin: 2 16:58:27 -5980.915648 0.3982 MDMin: 3 16:58:27 -5981.007510 0.2361 MDMin: 4 16:58:28 -5981.032936 0.3563 MDMin: 5 16:58:29 -5981.035953 0.2241 MDMin: 6 16:58:30 -5981.039897 0.1187 MDMin: 7 16:58:31 -5981.041066 0.0948 MDMin: 8 16:58:32 -5981.042689 0.0818 MDMin: 9 16:58:33 -5981.043566 0.0638 MDMin: 10 16:58:34 -5981.043972 0.0580 MDMin: 11 16:58:35 -5981.044459 0.0662 MDMin: 12 16:58:36 -5981.044904 0.0498 MDMin: 13 16:58:36 -5981.045174 0.0360 MDMin: 14 16:58:37 -5981.045319 0.0553 MDMin: 15 16:58:38 -5981.045481 0.0394 MDMin: 16 16:58:38 -5981.045655 0.0503 MDMin: 17 16:58:39 -5981.045770 0.0368 MDMin: 18 16:58:41 -5981.045834 0.0290 MDMin: 19 16:58:42 -5981.045904 0.0467 MDMin: 20 16:58:43 -5981.045970 0.0321 MDMin: 21 16:58:43 -5981.046011 0.0394 MDMin: 22 16:58:44 -5981.046047 0.0296 MDMin: 23 16:58:45 -5981.046087 0.0381 MDMin: 24 16:58:46 -5981.046113 0.0297 MDMin: 25 16:58:47 -5981.046129 0.0325 MDMin: 26 16:58:47 -5981.046147 0.0316 MDMin: 27 16:58:47 -5981.046165 0.0314 MDMin: 28 16:58:47 -5981.046177 0.0311 MDMin: 29 16:58:48 -5981.046189 0.0223 MDMin: 30 16:58:49 -5981.046207 0.0387 MDMin: 31 16:58:50 -5981.046213 0.0220 MDMin: 32 16:58:51 -5981.046218 0.0173 MDMin: 33 16:58:52 -5981.046227 0.0397 MDMin: 34 16:58:53 -5981.046230 0.0188 MDMin: 35 16:58:54 -5981.046233 0.0181 MDMin: 36 16:58:54 -5981.046238 0.0402 MDMin: 37 16:58:55 -5981.046240 0.0191 MDMin: 38 16:58:55 -5981.046241 0.0192 MDMin: 39 16:58:56 -5981.046244 0.0405 MDMin: 40 16:58:57 -5981.046245 0.0201 MDMin: 41 16:58:57 -5981.046246 0.0361 MDMin: 42 16:58:58 -5981.046247 0.0209 MDMin: 43 16:59:00 -5981.046247 0.0209 MDMin: 44 16:59:00 -5981.046249 0.0375 MDMin: 45 16:59:01 -5981.046249 0.0214 MDMin: 46 16:59:01 -5981.046249 0.0214 MDMin: 47 16:59:02 -5981.046249 0.0397 MDMin: 48 16:59:02 -5981.046250 0.0346 MDMin: 49 16:59:03 -5981.046249 0.0290 MDMin: 50 16:59:04 -5981.046250 0.0271 MDMin: 51 16:59:04 -5981.046250 0.0225 MDMin: 52 16:59:04 -5981.046249 0.0389 MDMin: 53 16:59:04 -5981.046249 0.0343 MDMin: 54 16:59:05 -5981.046248 0.0331 MDMin: 55 16:59:05 -5981.046248 0.0313 MDMin: 56 16:59:05 -5981.046248 0.0314 MDMin: 57 16:59:06 -5981.046247 0.0381 MDMin: 58 16:59:06 -5981.046247 0.0353 MDMin: 59 16:59:07 -5981.046246 0.0375 MDMin: 60 16:59:08 -5981.046246 0.0367 MDMin: 61 16:59:08 -5981.046245 0.0356 MDMin: 62 16:59:08 -5981.046245 0.0411 MDMin: 63 16:59:08 -5981.046244 0.0349 MDMin: 64 16:59:08 -5981.046244 0.0425 MDMin: 65 16:59:09 -5981.046244 0.0343 MDMin: 66 16:59:10 -5981.046243 0.0437 MDMin: 67 16:59:10 -5981.046243 0.0340 MDMin: 68 16:59:11 -5981.046243 0.0451 MDMin: 69 16:59:11 -5981.046242 0.0340 MDMin: 70 16:59:12 -5981.046242 0.0465 MDMin: 71 16:59:12 -5981.046242 0.0342 MDMin: 72 16:59:12 -5981.046241 0.0481 MDMin: 73 16:59:12 -5981.046241 0.0344 MDMin: 74 16:59:12 -5981.046241 0.0498 MDMin: 75 16:59:12 -5981.046240 0.0347 MDMin: 76 16:59:13 -5981.046240 0.0515 MDMin: 77 16:59:13 -5981.046239 0.0349 MDMin: 78 16:59:14 -5981.046239 0.0327 MDMin: 79 16:59:15 -5981.046238 0.0488 MDMin: 80 16:59:15 -5981.046238 0.0509 MDMin: 81 16:59:16 -5981.046237 0.0366 MDMin: 82 16:59:17 -5981.046237 0.0558 MDMin: 83 16:59:18 -5981.046236 0.0364 MDMin: 84 16:59:18 -5981.046236 0.0574 MDMin: 85 16:59:19 -5981.046236 0.0364 MDMin: 86 16:59:19 -5981.046236 0.0341 MDMin: 87 16:59:20 -5981.046234 0.0548 MDMin: 88 16:59:21 -5981.046234 0.0569 MDMin: 89 16:59:22 -5981.046234 0.0379 MDMin: 90 16:59:22 -5981.046233 0.0354 MDMin: 91 16:59:23 -5981.046232 0.0573 MDMin: 92 16:59:24 -5981.046232 0.0592 MDMin: 93 16:59:25 -5981.046231 0.0387 MDMin: 94 16:59:25 -5981.046231 0.0362 MDMin: 95 16:59:26 -5981.046230 0.0596 MDMin: 96 16:59:27 -5981.046230 0.0614 MDMin: 97 16:59:28 -5981.046230 0.0394 MDMin: 98 16:59:28 -5981.046229 0.0369 MDMin: 99 16:59:29 -5981.046229 0.0616 MDMin: 100 16:59:30 -5981.046229 0.0632 MDMin: 101 16:59:30 -5981.046228 0.0401 MDMin: 102 16:59:31 -5981.046228 0.0375 MDMin: 103 16:59:31 -5981.046227 0.0633 MDMin: 104 16:59:32 -5981.046227 0.0337 MDMin: 105 16:59:33 -5981.046227 0.0318 MDMin: 106 16:59:34 -5981.046226 0.0597 MDMin: 107 16:59:34 -5981.046226 0.0612 MDMin: 108 16:59:35 -5981.046225 0.0396 MDMin: 109 16:59:36 -5981.046225 0.0371 MDMin: 110 16:59:36 -5981.046225 0.0612 MDMin: 111 16:59:37 -5981.046225 0.0338 MDMin: 112 16:59:37 -5981.046225 0.0613 MDMin: 113 16:59:38 -5981.046224 0.0360 MDMin: 114 16:59:38 -5981.046224 0.0341 MDMin: 115 16:59:38 -5981.046224 0.0589 MDMin: 116 16:59:39 -5981.046224 0.0602 MDMin: 117 16:59:40 -5981.046223 0.0409 MDMin: 118 16:59:41 -5981.046223 0.0384 MDMin: 119 16:59:41 -5981.046223 0.0317 MDMin: 120 16:59:42 -5981.046222 0.0549 MDMin: 121 16:59:43 -5981.046222 0.0561 MDMin: 122 16:59:43 -5981.046222 0.0399 MDMin: 123 16:59:44 -5981.046222 0.0374 MDMin: 124 16:59:45 -5981.046222 0.0560 MDMin: 125 16:59:45 -5981.046222 0.0571 MDMin: 126 16:59:46 -5981.046222 0.0423 MDMin: 127 16:59:46 -5981.046222 0.0397 MDMin: 128 16:59:47 -5981.046222 0.0568 MDMin: 129 16:59:47 -5981.046222 0.0576 MDMin: 130 16:59:48 -5981.046222 0.0596 MDMin: 131 16:59:49 -5981.046222 0.0610 MDMin: 132 16:59:49 -5981.046222 0.0591 MDMin: 133 16:59:50 -5981.046222 0.0500 MDMin: 134 16:59:50 -5981.046223 0.0321 MDMin: 135 16:59:51 -5981.046224 0.0399 MDMin: 136 16:59:51 -5981.046224 0.0160 MDMin: 137 16:59:52 -5981.046225 0.0237 MDMin: 138 16:59:52 -5981.046225 0.0134 MDMin: 139 16:59:53 -5981.046225 0.0135 MDMin: 140 16:59:54 -5981.046225 0.0123 MDMin: 141 16:59:54 -5981.046226 0.0122 MDMin: 142 16:59:54 -5981.046226 0.0122 MDMin: 143 16:59:54 -5981.046226 0.0121 MDMin: 144 16:59:54 -5981.046226 0.0120 MDMin: 145 16:59:55 -5981.046227 0.0119 MDMin: 146 16:59:55 -5981.046227 0.0119 MDMin: 147 16:59:56 -5981.046227 0.0118 MDMin: 148 16:59:57 -5981.046228 0.0117 MDMin: 149 16:59:57 -5981.046228 0.0117 MDMin: 150 16:59:57 -5981.046228 0.0116 MDMin: 151 16:59:58 -5981.046228 0.0115 MDMin: 152 16:59:58 -5981.046229 0.0115 MDMin: 153 16:59:58 -5981.046229 0.0114 MDMin: 154 16:59:59 -5981.046229 0.0113 MDMin: 155 16:59:59 -5981.046230 0.0113 MDMin: 156 17:00:00 -5981.046230 0.0112 MDMin: 157 17:00:00 -5981.046231 0.0111 MDMin: 158 17:00:01 -5981.046231 0.0111 MDMin: 159 17:00:01 -5981.046231 0.0110 MDMin: 160 17:00:02 -5981.046232 0.0110 MDMin: 161 17:00:02 -5981.046232 0.0109 MDMin: 162 17:00:03 -5981.046232 0.0109 MDMin: 163 17:00:03 -5981.046233 0.0108 MDMin: 164 17:00:04 -5981.046233 0.0108 MDMin: 165 17:00:05 -5981.046233 0.0108 MDMin: 166 17:00:05 -5981.046234 0.0107 MDMin: 167 17:00:06 -5981.046234 0.0107 MDMin: 168 17:00:06 -5981.046234 0.0107 MDMin: 169 17:00:07 -5981.046235 0.0107 MDMin: 170 17:00:08 -5981.046235 0.0107 MDMin: 171 17:00:08 -5981.046236 0.0107 MDMin: 172 17:00:09 -5981.046236 0.0107 MDMin: 173 17:00:09 -5981.046236 0.0107 MDMin: 174 17:00:09 -5981.046237 0.0107 MDMin: 175 17:00:10 -5981.046237 0.0108 MDMin: 176 17:00:11 -5981.046237 0.0108 MDMin: 177 17:00:11 -5981.046238 0.0109 MDMin: 178 17:00:11 -5981.046238 0.0111 MDMin: 179 17:00:12 -5981.046238 0.0112 MDMin: 180 17:00:12 -5981.046239 0.0114 MDMin: 181 17:00:13 -5981.046239 0.0116 MDMin: 182 17:00:13 -5981.046240 0.0118 MDMin: 183 17:00:14 -5981.046240 0.0120 MDMin: 184 17:00:14 -5981.046240 0.0122 MDMin: 185 17:00:15 -5981.046240 0.0125 MDMin: 186 17:00:16 -5981.046241 0.0128 MDMin: 187 17:00:16 -5981.046241 0.0131 MDMin: 188 17:00:17 -5981.046242 0.0134 MDMin: 189 17:00:17 -5981.046242 0.0137 MDMin: 190 17:00:18 -5981.046242 0.0141 MDMin: 191 17:00:18 -5981.046242 0.0146 MDMin: 192 17:00:19 -5981.046243 0.0151 MDMin: 193 17:00:19 -5981.046243 0.0155 MDMin: 194 17:00:20 -5981.046243 0.0160 MDMin: 195 17:00:20 -5981.046244 0.0167 MDMin: 196 17:00:21 -5981.046244 0.0173 MDMin: 197 17:00:21 -5981.046244 0.0180 MDMin: 198 17:00:22 -5981.046245 0.0187 MDMin: 199 17:00:22 -5981.046245 0.0196 MDMin: 200 17:00:23 -5981.046245 0.0206 Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 5981.045242 Iterations: 18 Function evaluations: 36 Formation Energy: 1.9433128575265073 Migration Energy: 0.849295628139771 Calculating Size 7 ... Step Time Energy fmax MDMin: 0 17:00:24 -9507.108351 0.7762 MDMin: 1 17:00:25 -9507.197099 0.6375 MDMin: 2 17:00:25 -9507.354325 0.3980 MDMin: 3 17:00:26 -9507.446063 0.2358 MDMin: 4 17:00:26 -9507.471396 0.3563 MDMin: 5 17:00:26 -9507.474402 0.2247 MDMin: 6 17:00:27 -9507.478348 0.1189 MDMin: 7 17:00:27 -9507.479524 0.0948 MDMin: 8 17:00:27 -9507.481165 0.0816 MDMin: 9 17:00:27 -9507.482073 0.0646 MDMin: 10 17:00:28 -9507.482502 0.0580 MDMin: 11 17:00:28 -9507.483010 0.0659 MDMin: 12 17:00:29 -9507.483489 0.0496 MDMin: 13 17:00:30 -9507.483795 0.0361 MDMin: 14 17:00:30 -9507.483961 0.0554 MDMin: 15 17:00:30 -9507.484149 0.0389 MDMin: 16 17:00:30 -9507.484349 0.0503 MDMin: 17 17:00:31 -9507.484493 0.0367 MDMin: 18 17:00:31 -9507.484575 0.0402 MDMin: 19 17:00:32 -9507.484653 0.0357 MDMin: 20 17:00:33 -9507.484745 0.0409 MDMin: 21 17:00:33 -9507.484819 0.0341 MDMin: 22 17:00:33 -9507.484869 0.0351 MDMin: 23 17:00:34 -9507.484907 0.0314 MDMin: 24 17:00:34 -9507.484948 0.0354 MDMin: 25 17:00:35 -9507.484988 0.0315 MDMin: 26 17:00:35 -9507.485017 0.0335 MDMin: 27 17:00:36 -9507.485043 0.0236 MDMin: 28 17:00:36 -9507.485076 0.0373 MDMin: 29 17:00:36 -9507.485091 0.0242 MDMin: 30 17:00:37 -9507.485105 0.0188 MDMin: 31 17:00:37 -9507.485126 0.0392 MDMin: 32 17:00:38 -9507.485139 0.0231 MDMin: 33 17:00:38 -9507.485148 0.0171 MDMin: 34 17:00:39 -9507.485163 0.0395 MDMin: 35 17:00:40 -9507.485170 0.0197 MDMin: 36 17:00:40 -9507.485176 0.0332 MDMin: 37 17:00:41 -9507.485181 0.0227 MDMin: 38 17:00:41 -9507.485185 0.0180 MDMin: 39 17:00:42 -9507.485194 0.0375 MDMin: 40 17:00:42 -9507.485197 0.0188 MDMin: 41 17:00:43 -9507.485200 0.0177 MDMin: 42 17:00:43 -9507.485205 0.0389 MDMin: 43 17:00:44 -9507.485208 0.0187 MDMin: 44 17:00:44 -9507.485210 0.0346 MDMin: 45 17:00:45 -9507.485211 0.0224 MDMin: 46 17:00:45 -9507.485213 0.0205 MDMin: 47 17:00:46 -9507.485216 0.0365 MDMin: 48 17:00:46 -9507.485217 0.0206 MDMin: 49 17:00:47 -9507.485218 0.0341 MDMin: 50 17:00:47 -9507.485219 0.0242 MDMin: 51 17:00:48 -9507.485221 0.0226 MDMin: 52 17:00:49 -9507.485222 0.0357 MDMin: 53 17:00:49 -9507.485223 0.0326 MDMin: 54 17:00:50 -9507.485224 0.0318 MDMin: 55 17:00:50 -9507.485225 0.0298 MDMin: 56 17:00:51 -9507.485226 0.0268 MDMin: 57 17:00:51 -9507.485227 0.0377 MDMin: 58 17:00:52 -9507.485228 0.0348 MDMin: 59 17:00:52 -9507.485228 0.0349 MDMin: 60 17:00:52 -9507.485228 0.0331 MDMin: 61 17:00:53 -9507.485229 0.0351 MDMin: 62 17:00:53 -9507.485229 0.0352 MDMin: 63 17:00:54 -9507.485229 0.0344 MDMin: 64 17:00:54 -9507.485229 0.0363 MDMin: 65 17:00:55 -9507.485230 0.0336 MDMin: 66 17:00:55 -9507.485229 0.0372 MDMin: 67 17:00:56 -9507.485230 0.0398 MDMin: 68 17:00:56 -9507.485229 0.0373 MDMin: 69 17:00:57 -9507.485230 0.0346 MDMin: 70 17:00:57 -9507.485229 0.0412 MDMin: 71 17:00:57 -9507.485229 0.0425 MDMin: 72 17:00:58 -9507.485229 0.0360 MDMin: 73 17:00:58 -9507.485229 0.0472 MDMin: 74 17:00:59 -9507.485229 0.0355 MDMin: 75 17:00:59 -9507.485229 0.0330 MDMin: 76 17:01:00 -9507.485229 0.0446 MDMin: 77 17:01:00 -9507.485229 0.0463 MDMin: 78 17:01:00 -9507.485229 0.0363 MDMin: 79 17:01:01 -9507.485228 0.0511 MDMin: 80 17:01:02 -9507.485228 0.0360 MDMin: 81 17:01:02 -9507.485228 0.0527 MDMin: 82 17:01:02 -9507.485228 0.0360 MDMin: 83 17:01:03 -9507.485228 0.0544 MDMin: 84 17:01:03 -9507.485228 0.0362 MDMin: 85 17:01:03 -9507.485228 0.0339 MDMin: 86 17:01:03 -9507.485227 0.0517 MDMin: 87 17:01:04 -9507.485227 0.0537 MDMin: 88 17:01:04 -9507.485227 0.0377 MDMin: 89 17:01:04 -9507.485227 0.0352 MDMin: 90 17:01:04 -9507.485226 0.0542 MDMin: 91 17:01:04 -9507.485226 0.0561 MDMin: 92 17:01:04 -9507.485226 0.0385 MDMin: 93 17:01:04 -9507.485226 0.0360 MDMin: 94 17:01:04 -9507.485225 0.0565 MDMin: 95 17:01:04 -9507.485225 0.0584 MDMin: 96 17:01:05 -9507.485225 0.0393 MDMin: 97 17:01:05 -9507.485225 0.0368 MDMin: 98 17:01:05 -9507.485225 0.0587 MDMin: 99 17:01:06 -9507.485225 0.0604 MDMin: 100 17:01:06 -9507.485224 0.0401 MDMin: 101 17:01:06 -9507.485224 0.0375 MDMin: 102 17:01:07 -9507.485224 0.0606 MDMin: 103 17:01:07 -9507.485224 0.0622 MDMin: 104 17:01:07 -9507.485223 0.0408 MDMin: 105 17:01:08 -9507.485223 0.0382 MDMin: 106 17:01:08 -9507.485223 0.0622 MDMin: 107 17:01:09 -9507.485223 0.0345 MDMin: 108 17:01:09 -9507.485223 0.0326 MDMin: 109 17:01:09 -9507.485223 0.0587 MDMin: 110 17:01:10 -9507.485223 0.0601 MDMin: 111 17:01:10 -9507.485223 0.0404 MDMin: 112 17:01:10 -9507.485223 0.0379 MDMin: 113 17:01:11 -9507.485222 0.0600 MDMin: 114 17:01:11 -9507.485222 0.0347 MDMin: 115 17:01:12 -9507.485222 0.0601 MDMin: 116 17:01:12 -9507.485222 0.0368 MDMin: 117 17:01:12 -9507.485222 0.0349 MDMin: 118 17:01:13 -9507.485222 0.0578 MDMin: 119 17:01:13 -9507.485222 0.0590 MDMin: 120 17:01:13 -9507.485222 0.0418 MDMin: 121 17:01:14 -9507.485222 0.0393 MDMin: 122 17:01:14 -9507.485222 0.0588 MDMin: 123 17:01:15 -9507.485222 0.0597 MDMin: 124 17:01:15 -9507.485222 0.0620 MDMin: 125 17:01:16 -9507.485222 0.0639 MDMin: 126 17:01:16 -9507.485223 0.0624 MDMin: 127 17:01:17 -9507.485223 0.0535 MDMin: 128 17:01:17 -9507.485224 0.0355 MDMin: 129 17:01:18 -9507.485225 0.0367 MDMin: 130 17:01:18 -9507.485225 0.0173 MDMin: 131 17:01:18 -9507.485225 0.0215 MDMin: 132 17:01:19 -9507.485225 0.0145 MDMin: 133 17:01:19 -9507.485226 0.0127 MDMin: 134 17:01:19 -9507.485226 0.0123 MDMin: 135 17:01:20 -9507.485226 0.0122 MDMin: 136 17:01:20 -9507.485226 0.0122 MDMin: 137 17:01:21 -9507.485227 0.0121 MDMin: 138 17:01:21 -9507.485227 0.0120 MDMin: 139 17:01:21 -9507.485227 0.0119 MDMin: 140 17:01:22 -9507.485227 0.0119 MDMin: 141 17:01:22 -9507.485228 0.0118 MDMin: 142 17:01:23 -9507.485228 0.0117 MDMin: 143 17:01:23 -9507.485228 0.0116 MDMin: 144 17:01:23 -9507.485228 0.0116 MDMin: 145 17:01:24 -9507.485229 0.0115 MDMin: 146 17:01:24 -9507.485229 0.0114 MDMin: 147 17:01:24 -9507.485229 0.0113 MDMin: 148 17:01:25 -9507.485230 0.0113 MDMin: 149 17:01:25 -9507.485230 0.0112 MDMin: 150 17:01:25 -9507.485230 0.0111 MDMin: 151 17:01:26 -9507.485231 0.0111 MDMin: 152 17:01:26 -9507.485231 0.0110 MDMin: 153 17:01:27 -9507.485231 0.0110 MDMin: 154 17:01:27 -9507.485231 0.0109 MDMin: 155 17:01:27 -9507.485232 0.0108 MDMin: 156 17:01:27 -9507.485232 0.0108 MDMin: 157 17:01:28 -9507.485232 0.0107 MDMin: 158 17:01:28 -9507.485233 0.0107 MDMin: 159 17:01:28 -9507.485233 0.0106 MDMin: 160 17:01:29 -9507.485233 0.0106 MDMin: 161 17:01:29 -9507.485234 0.0106 MDMin: 162 17:01:29 -9507.485234 0.0106 MDMin: 163 17:01:29 -9507.485234 0.0105 MDMin: 164 17:01:29 -9507.485235 0.0105 MDMin: 165 17:01:29 -9507.485235 0.0105 MDMin: 166 17:01:30 -9507.485235 0.0105 MDMin: 167 17:01:30 -9507.485235 0.0105 MDMin: 168 17:01:30 -9507.485236 0.0105 MDMin: 169 17:01:30 -9507.485236 0.0106 MDMin: 170 17:01:30 -9507.485236 0.0106 MDMin: 171 17:01:30 -9507.485237 0.0106 MDMin: 172 17:01:31 -9507.485237 0.0107 MDMin: 173 17:01:31 -9507.485237 0.0108 MDMin: 174 17:01:31 -9507.485237 0.0109 MDMin: 175 17:01:32 -9507.485238 0.0109 MDMin: 176 17:01:32 -9507.485238 0.0111 MDMin: 177 17:01:32 -9507.485238 0.0113 MDMin: 178 17:01:33 -9507.485238 0.0116 MDMin: 179 17:01:33 -9507.485239 0.0118 MDMin: 180 17:01:33 -9507.485239 0.0119 MDMin: 181 17:01:34 -9507.485239 0.0122 MDMin: 182 17:01:34 -9507.485239 0.0126 MDMin: 183 17:01:34 -9507.485240 0.0129 MDMin: 184 17:01:35 -9507.485240 0.0132 MDMin: 185 17:01:35 -9507.485240 0.0135 MDMin: 186 17:01:35 -9507.485240 0.0140 MDMin: 187 17:01:36 -9507.485240 0.0145 MDMin: 188 17:01:36 -9507.485241 0.0149 MDMin: 189 17:01:37 -9507.485241 0.0154 MDMin: 190 17:01:37 -9507.485241 0.0160 MDMin: 191 17:01:38 -9507.485241 0.0167 MDMin: 192 17:01:38 -9507.485241 0.0174 MDMin: 193 17:01:38 -9507.485241 0.0180 MDMin: 194 17:01:39 -9507.485241 0.0188 MDMin: 195 17:01:39 -9507.485242 0.0198 MDMin: 196 17:01:40 -9507.485242 0.0209 MDMin: 197 17:01:40 -9507.485242 0.0219 MDMin: 198 17:01:40 -9507.485242 0.0229 MDMin: 199 17:01:41 -9507.485242 0.0244 MDMin: 200 17:01:41 -9507.485242 0.0264 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 9507.484376 Iterations: 18 Function evaluations: 36 Formation Energy: 1.943209628248951 Migration Energy: 0.8483479025162524 [Calculation Results Summary] Size MigrationEnergy FormationEnergy [5, 0.851397810914932, 1.94360960459926] [6, 0.849295628139771, 1.9433128575265073] [7, 0.8483479025162524, 1.943209628248951] [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: [0.851397810914932, 0.849295628139771] Fitting Results: (array([0.84640801, 0.62372456]), 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: [0.849295628139771, 0.8483479025162524] Fitting Results: (array([0.84673602, 0.55287477]), 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: [0.851397810914932, 0.849295628139771, 0.8483479025162524] Fitting Results: (array([0.84655506, 0.60315942]), array([4.17305254e-09]), 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: [1.94360960459926, 1.9433128575265073] Fitting Results: (array([1.94290524, 0.08804583]), 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: [1.9433128575265073, 1.943209628248951] Fitting Results: (array([1.94303406, 0.06022087]), 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: [1.94360960459926, 1.9433128575265073, 1.943209628248951] Fitting Results: (array([1.94296299, 0.07996925]), array([6.43644308e-10]), 2, array([1.73207406, 0.00365829])) Vacancy Migration Energy: [0.8467360227156225, 0.00018096296344238816] Vacancy Formation Energy: [1.9430340571942097, 7.106990578642502e-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" 0.8467360227156225 "source-unit" "eV" "source-std-uncert-value" 0.00018096296344238816 } "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" 2.8665045946836467 "source-unit" "angstrom" } "host-b" { "source-value" 2.8665045946836467 "source-unit" "angstrom" } "host-c" { "source-value" 2.8665045946836467 "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" 1.9430340571942097 "source-unit" "eV" "source-std-uncert-value" 7.106990578642502e-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" 2.8665045946836467 "source-unit" "angstrom" } "host-b" { "source-value" 2.8665045946836467 "source-unit" "angstrom" } "host-c" { "source-value" 2.8665045946836467 "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" -27.7672290026694 "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" 2.8665045946836467 "source-unit" "angstrom" } "reservoir-b" { "source-value" 2.8665045946836467 "source-unit" "angstrom" } "reservoir-c" { "source-value" 2.8665045946836467 "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" ] } } ] Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions Potential info: proved magnetic potential with 5th order knot functions