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: Li MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001 bcc [3.5090000331401834] 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 20:24:58 -413.904477 0.3032 MDMin: 1 20:24:59 -413.927748 0.3035 MDMin: 2 20:24:59 -413.995565 0.2865 MDMin: 3 20:25:00 -414.102777 0.2312 MDMin: 4 20:25:00 -414.239545 0.1988 MDMin: 5 20:25:01 -414.381444 0.1344 MDMin: 6 20:25:01 -414.497683 0.2022 MDMin: 7 20:25:01 -414.555626 0.1312 MDMin: 8 20:25:02 -414.602036 0.1113 MDMin: 9 20:25:02 -414.630013 0.0866 MDMin: 10 20:25:03 -414.655416 0.0670 MDMin: 11 20:25:03 -414.674956 0.0675 MDMin: 12 20:25:04 -414.690343 0.0630 MDMin: 13 20:25:05 -414.698620 0.1084 MDMin: 14 20:25:05 -414.699671 0.0724 MDMin: 15 20:25:06 -414.700362 0.0766 MDMin: 16 20:25:06 -414.700798 0.0824 MDMin: 17 20:25:07 -414.701049 0.0738 MDMin: 18 20:25:07 -414.701141 0.0570 MDMin: 19 20:25:08 -414.701102 0.0412 MDMin: 20 20:25:09 -414.700967 0.0389 MDMin: 21 20:25:10 -414.700773 0.0420 MDMin: 22 20:25:10 -414.700561 0.0547 MDMin: 23 20:25:11 -414.700377 0.0561 MDMin: 24 20:25:12 -414.700212 0.0501 MDMin: 25 20:25:12 -414.700041 0.0404 MDMin: 26 20:25:13 -414.699855 0.0350 MDMin: 27 20:25:13 -414.699658 0.0367 MDMin: 28 20:25:14 -414.699456 0.0510 MDMin: 29 20:25:15 -414.699257 0.0632 MDMin: 30 20:25:15 -414.699065 0.0494 MDMin: 31 20:25:16 -414.698865 0.0661 MDMin: 32 20:25:17 -414.698661 0.0810 MDMin: 33 20:25:17 -414.698453 0.0839 MDMin: 34 20:25:18 -414.698242 0.0822 MDMin: 35 20:25:19 -414.698031 0.0753 MDMin: 36 20:25:19 -414.697828 0.0648 MDMin: 37 20:25:20 -414.697652 0.0530 MDMin: 38 20:25:20 -414.697508 0.0457 MDMin: 39 20:25:21 -414.697378 0.0488 MDMin: 40 20:25:22 -414.697249 0.0442 MDMin: 41 20:25:22 -414.697114 0.0342 MDMin: 42 20:25:23 -414.696973 0.0345 MDMin: 43 20:25:24 -414.696828 0.0354 MDMin: 44 20:25:25 -414.696679 0.0501 MDMin: 45 20:25:26 -414.696530 0.0642 MDMin: 46 20:25:26 -414.696381 0.0538 MDMin: 47 20:25:27 -414.696229 0.0348 MDMin: 48 20:25:27 -414.696077 0.0297 MDMin: 49 20:25:28 -414.695929 0.0340 MDMin: 50 20:25:28 -414.695792 0.0421 MDMin: 51 20:25:29 -414.695673 0.0471 MDMin: 52 20:25:30 -414.695585 0.0403 MDMin: 53 20:25:30 -414.695544 0.0342 MDMin: 54 20:25:31 -414.695566 0.0350 MDMin: 55 20:25:31 -414.695669 0.0445 MDMin: 56 20:25:32 -414.695854 0.0465 MDMin: 57 20:25:32 -414.696129 0.0508 MDMin: 58 20:25:33 -414.696540 0.0434 MDMin: 59 20:25:33 -414.697170 0.0498 MDMin: 60 20:25:34 -414.698146 0.0606 MDMin: 61 20:25:34 -414.699641 0.0757 MDMin: 62 20:25:35 -414.701801 0.0885 MDMin: 63 20:25:35 -414.704649 0.0740 MDMin: 64 20:25:36 -414.708087 0.0588 MDMin: 65 20:25:37 -414.711771 0.0538 MDMin: 66 20:25:37 -414.713579 0.0561 MDMin: 67 20:25:38 -414.715356 0.0652 MDMin: 68 20:25:39 -414.717739 0.0792 MDMin: 69 20:25:39 -414.720521 0.0897 MDMin: 70 20:25:40 -414.723443 0.0879 MDMin: 71 20:25:40 -414.724918 0.0807 MDMin: 72 20:25:41 -414.726012 0.0721 MDMin: 73 20:25:41 -414.727036 0.0628 MDMin: 74 20:25:42 -414.728020 0.0536 MDMin: 75 20:25:43 -414.728962 0.0450 MDMin: 76 20:25:43 -414.729845 0.0373 MDMin: 77 20:25:44 -414.730652 0.0320 MDMin: 78 20:25:45 -414.731373 0.0317 MDMin: 79 20:25:46 -414.732003 0.0307 MDMin: 80 20:25:46 -414.732538 0.0298 MDMin: 81 20:25:47 -414.732970 0.0348 MDMin: 82 20:25:47 -414.733299 0.0431 MDMin: 83 20:25:48 -414.733553 0.0515 MDMin: 84 20:25:49 -414.733768 0.0569 MDMin: 85 20:25:49 -414.733961 0.0520 MDMin: 86 20:25:50 -414.734144 0.0340 MDMin: 87 20:25:50 -414.734324 0.0343 MDMin: 88 20:25:51 -414.734500 0.0357 MDMin: 89 20:25:52 -414.734673 0.0340 MDMin: 90 20:25:53 -414.734844 0.0350 MDMin: 91 20:25:53 -414.735017 0.0377 MDMin: 92 20:25:54 -414.735200 0.0374 MDMin: 93 20:25:55 -414.735403 0.0362 MDMin: 94 20:25:55 -414.735637 0.0421 MDMin: 95 20:25:56 -414.735907 0.0476 MDMin: 96 20:25:56 -414.736212 0.0542 MDMin: 97 20:25:57 -414.736573 0.0635 MDMin: 98 20:25:57 -414.737026 0.0773 MDMin: 99 20:25:58 -414.737620 0.0957 MDMin: 100 20:25:58 -414.738422 0.1067 MDMin: 101 20:25:59 -414.739536 0.0904 MDMin: 102 20:25:59 -414.741101 0.0769 MDMin: 103 20:26:00 -414.743078 0.0734 MDMin: 104 20:26:00 -414.745290 0.0818 MDMin: 105 20:26:01 -414.747852 0.1026 MDMin: 106 20:26:01 -414.750307 0.1168 MDMin: 107 20:26:02 -414.752606 0.1050 MDMin: 108 20:26:02 -414.754817 0.0874 MDMin: 109 20:26:03 -414.757027 0.0675 MDMin: 110 20:26:03 -414.759379 0.0512 MDMin: 111 20:26:04 -414.761807 0.0392 MDMin: 112 20:26:04 -414.763995 0.0383 MDMin: 113 20:26:05 -414.765771 0.0432 MDMin: 114 20:26:05 -414.767218 0.0426 MDMin: 115 20:26:06 -414.768475 0.0378 MDMin: 116 20:26:07 -414.769659 0.0420 MDMin: 117 20:26:07 -414.770884 0.0457 MDMin: 118 20:26:08 -414.772284 0.0489 MDMin: 119 20:26:08 -414.774021 0.0515 MDMin: 120 20:26:09 -414.776290 0.0533 MDMin: 121 20:26:09 -414.778920 0.0540 MDMin: 122 20:26:10 -414.777913 0.0535 MDMin: 123 20:26:10 -414.775792 0.0521 MDMin: 124 20:26:11 -414.773212 0.0514 MDMin: 125 20:26:11 -414.770509 0.0695 MDMin: 126 20:26:12 -414.767923 0.0728 MDMin: 127 20:26:12 -414.765617 0.0706 MDMin: 128 20:26:13 -414.763667 0.0941 MDMin: 129 20:26:14 -414.762251 0.1076 MDMin: 130 20:26:14 -414.761461 0.0835 MDMin: 131 20:26:15 -414.761256 0.0695 MDMin: 132 20:26:15 -414.761669 0.0650 MDMin: 133 20:26:16 -414.763064 0.0738 MDMin: 134 20:26:17 -414.766062 0.0955 MDMin: 135 20:26:17 -414.770897 0.1104 MDMin: 136 20:26:18 -414.776984 0.0984 MDMin: 137 20:26:18 -414.784372 0.0849 MDMin: 138 20:26:19 -414.792783 0.0698 MDMin: 139 20:26:19 -414.800687 0.0657 MDMin: 140 20:26:20 -414.807509 0.0684 MDMin: 141 20:26:21 -414.813291 0.0698 MDMin: 142 20:26:21 -414.818108 0.0694 MDMin: 143 20:26:22 -414.822099 0.0670 MDMin: 144 20:26:23 -414.825386 0.0691 MDMin: 145 20:26:23 -414.828015 0.0667 MDMin: 146 20:26:24 -414.830008 0.0543 MDMin: 147 20:26:25 -414.831432 0.0626 MDMin: 148 20:26:25 -414.832416 0.0627 MDMin: 149 20:26:26 -414.833157 0.0701 MDMin: 150 20:26:26 -414.833887 0.1250 MDMin: 151 20:26:27 -414.834902 0.1530 MDMin: 152 20:26:27 -414.836698 0.1204 MDMin: 153 20:26:28 -414.840230 0.1507 MDMin: 154 20:26:29 -414.846969 0.1349 MDMin: 155 20:26:29 -414.857226 0.1065 MDMin: 156 20:26:30 -414.867144 0.0806 MDMin: 157 20:26:30 -414.873426 0.0611 MDMin: 158 20:26:31 -414.878273 0.0785 MDMin: 159 20:26:32 -414.883766 0.0644 MDMin: 160 20:26:32 -414.891027 0.0619 MDMin: 161 20:26:33 -414.899159 0.0688 MDMin: 162 20:26:33 -414.903996 0.0817 MDMin: 163 20:26:34 -414.905771 0.0729 MDMin: 164 20:26:35 -414.906014 0.0567 MDMin: 165 20:26:35 -414.905647 0.0675 MDMin: 166 20:26:36 -414.904951 0.0624 MDMin: 167 20:26:36 -414.904108 0.0648 MDMin: 168 20:26:37 -414.903401 0.0631 MDMin: 169 20:26:37 -414.903124 0.0568 MDMin: 170 20:26:38 -414.903240 0.0546 MDMin: 171 20:26:39 -414.903140 0.0481 MDMin: 172 20:26:39 -414.902220 0.0483 MDMin: 173 20:26:39 -414.900483 0.0633 MDMin: 174 20:26:40 -414.898750 0.0665 MDMin: 175 20:26:41 -414.899102 0.0575 MDMin: 176 20:26:41 -414.902874 0.0538 MDMin: 177 20:26:42 -414.905314 0.0503 MDMin: 178 20:26:42 -414.906996 0.0448 MDMin: 179 20:26:43 -414.908995 0.0447 MDMin: 180 20:26:44 -414.911379 0.0456 MDMin: 181 20:26:45 -414.914297 0.0507 MDMin: 182 20:26:45 -414.918107 0.0591 MDMin: 183 20:26:46 -414.922446 0.0649 MDMin: 184 20:26:47 -414.926404 0.0640 MDMin: 185 20:26:47 -414.930249 0.0630 MDMin: 186 20:26:48 -414.935139 0.0593 MDMin: 187 20:26:49 -414.942119 0.0511 MDMin: 188 20:26:49 -414.950299 0.0537 MDMin: 189 20:26:50 -414.959578 0.0713 MDMin: 190 20:26:50 -414.970991 0.0573 MDMin: 191 20:26:51 -414.984000 0.0496 MDMin: 192 20:26:51 -414.998709 0.0588 MDMin: 193 20:26:52 -415.011172 0.0791 MDMin: 194 20:26:53 -415.020272 0.0662 MDMin: 195 20:26:53 -415.026038 0.0791 MDMin: 196 20:26:54 -415.029187 0.0619 MDMin: 197 20:26:55 -415.032030 0.0709 MDMin: 198 20:26:55 -415.036237 0.0624 MDMin: 199 20:26:56 -415.042247 0.0552 MDMin: 200 20:26:57 -415.049266 0.0529 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 416.132392 Iterations: 16 Function evaluations: 32 Formation Energy: -3.8282889538696736 Migration Energy: -1.454103176114188 Calculating Size 6 ... [ERR1047]FIRE Failed: Steps Exceeds Maximum. Vacancy Formation Energy May Not Be Accurate. Step Time Energy fmax MDMin: 0 20:27:09 -719.423608 0.3201 MDMin: 1 20:27:10 -719.435646 0.3184 MDMin: 2 20:27:10 -719.469898 0.3007 MDMin: 3 20:27:11 -719.521106 0.2464 MDMin: 4 20:27:12 -719.576823 0.1960 MDMin: 5 20:27:13 -719.633671 0.1785 MDMin: 6 20:27:13 -719.687097 0.1418 MDMin: 7 20:27:14 -719.736199 0.0782 MDMin: 8 20:27:15 -719.787248 0.1525 MDMin: 9 20:27:15 -719.843009 0.1370 MDMin: 10 20:27:17 -719.899962 0.1409 MDMin: 11 20:27:17 -719.956403 0.1486 MDMin: 12 20:27:18 -720.007447 0.1271 MDMin: 13 20:27:19 -720.080507 0.1789 MDMin: 14 20:27:20 -720.160666 0.2317 MDMin: 15 20:27:21 -720.224804 0.1460 MDMin: 16 20:27:21 -720.272191 0.1146 MDMin: 17 20:27:22 -720.313998 0.1670 MDMin: 18 20:27:23 -720.351043 0.0914 MDMin: 19 20:27:24 -720.382496 0.1428 MDMin: 20 20:27:24 -720.407071 0.1363 MDMin: 21 20:27:25 -720.426117 0.1296 MDMin: 22 20:27:26 -720.442580 0.1674 MDMin: 23 20:27:27 -720.457368 0.1783 MDMin: 24 20:27:28 -720.471085 0.1397 MDMin: 25 20:27:28 -720.484553 0.1323 MDMin: 26 20:27:29 -720.497632 0.1302 MDMin: 27 20:27:30 -720.510449 0.1067 MDMin: 28 20:27:31 -720.523395 0.0687 MDMin: 29 20:27:31 -720.536691 0.0920 MDMin: 30 20:27:32 -720.548099 0.1838 MDMin: 31 20:27:33 -720.556743 0.1839 MDMin: 32 20:27:34 -720.563881 0.1330 MDMin: 33 20:27:34 -720.569883 0.1307 MDMin: 34 20:27:35 -720.575246 0.1335 MDMin: 35 20:27:35 -720.579868 0.1229 MDMin: 36 20:27:36 -720.584179 0.1241 MDMin: 37 20:27:37 -720.588198 0.1253 MDMin: 38 20:27:37 -720.591936 0.0953 MDMin: 39 20:27:38 -720.595400 0.0647 MDMin: 40 20:27:38 -720.598456 0.0578 MDMin: 41 20:27:39 -720.601090 0.0557 MDMin: 42 20:27:40 -720.603409 0.0664 MDMin: 43 20:27:41 -720.605521 0.1080 MDMin: 44 20:27:41 -720.607356 0.1753 MDMin: 45 20:27:42 -720.608953 0.2495 MDMin: 46 20:27:43 -720.610399 0.1939 MDMin: 47 20:27:43 -720.612090 0.1382 MDMin: 48 20:27:44 -720.614026 0.1407 MDMin: 49 20:27:45 -720.616037 0.1399 MDMin: 50 20:27:45 -720.618160 0.1321 MDMin: 51 20:27:46 -720.620496 0.1399 MDMin: 52 20:27:47 -720.623061 0.1251 MDMin: 53 20:27:48 -720.625951 0.0848 MDMin: 54 20:27:49 -720.629174 0.0776 MDMin: 55 20:27:49 -720.632553 0.0695 MDMin: 56 20:27:50 -720.635876 0.0697 MDMin: 57 20:27:51 -720.638971 0.0923 MDMin: 58 20:27:51 -720.641467 0.1114 MDMin: 59 20:27:52 -720.643614 0.2087 MDMin: 60 20:27:53 -720.644360 0.2138 MDMin: 61 20:27:53 -720.645102 0.1270 MDMin: 62 20:27:54 -720.646390 0.1452 MDMin: 63 20:27:55 -720.647499 0.1447 MDMin: 64 20:27:55 -720.648452 0.1498 MDMin: 65 20:27:56 -720.648707 0.1535 MDMin: 66 20:27:57 -720.650002 0.1347 MDMin: 67 20:27:57 -720.651353 0.1097 MDMin: 68 20:27:58 -720.652684 0.0854 MDMin: 69 20:27:59 -720.653210 0.0788 MDMin: 70 20:27:59 -720.654719 0.0711 MDMin: 71 20:28:00 -720.655856 0.0693 MDMin: 72 20:28:00 -720.656737 0.0881 MDMin: 73 20:28:01 -720.657212 0.0964 MDMin: 74 20:28:02 -720.657246 0.1460 MDMin: 75 20:28:03 -720.657910 0.2448 MDMin: 76 20:28:03 -720.658333 0.1450 MDMin: 77 20:28:04 -720.658767 0.1294 MDMin: 78 20:28:04 -720.659209 0.1394 MDMin: 79 20:28:05 -720.659628 0.1379 MDMin: 80 20:28:06 -720.660064 0.1478 MDMin: 81 20:28:06 -720.660514 0.1505 MDMin: 82 20:28:07 -720.660851 0.1307 MDMin: 83 20:28:07 -720.661155 0.1133 MDMin: 84 20:28:08 -720.661839 0.1215 MDMin: 85 20:28:09 -720.662436 0.1143 MDMin: 86 20:28:10 -720.662595 0.1049 MDMin: 87 20:28:10 -720.663245 0.0928 MDMin: 88 20:28:11 -720.664023 0.0802 MDMin: 89 20:28:11 -720.664098 0.0697 MDMin: 90 20:28:12 -720.664345 0.0682 MDMin: 91 20:28:13 -720.665089 0.0868 MDMin: 92 20:28:14 -720.664987 0.0860 MDMin: 93 20:28:15 -720.665586 0.1260 MDMin: 94 20:28:15 -720.665734 0.2189 MDMin: 95 20:28:16 -720.665988 0.1826 MDMin: 96 20:28:16 -720.666031 0.1288 MDMin: 97 20:28:17 -720.666128 0.1183 MDMin: 98 20:28:18 -720.666430 0.1207 MDMin: 99 20:28:19 -720.666705 0.1239 MDMin: 100 20:28:20 -720.666651 0.1207 MDMin: 101 20:28:20 -720.666498 0.1295 MDMin: 102 20:28:21 -720.667143 0.1367 MDMin: 103 20:28:22 -720.667238 0.1306 MDMin: 104 20:28:23 -720.667490 0.1193 MDMin: 105 20:28:23 -720.667817 0.1074 MDMin: 106 20:28:24 -720.667828 0.1097 MDMin: 107 20:28:25 -720.668171 0.1126 MDMin: 108 20:28:25 -720.668314 0.1131 MDMin: 109 20:28:26 -720.668616 0.1151 MDMin: 110 20:28:27 -720.668876 0.1201 MDMin: 111 20:28:28 -720.669010 0.1117 MDMin: 112 20:28:29 -720.669474 0.1038 MDMin: 113 20:28:30 -720.669487 0.0944 MDMin: 114 20:28:30 -720.669688 0.0845 MDMin: 115 20:28:31 -720.670146 0.0746 MDMin: 116 20:28:32 -720.670490 0.0655 MDMin: 117 20:28:33 -720.670331 0.0607 MDMin: 118 20:28:34 -720.670780 0.0796 MDMin: 119 20:28:34 -720.671095 0.1274 MDMin: 120 20:28:35 -720.671314 0.1662 MDMin: 121 20:28:36 -720.671425 0.1191 MDMin: 122 20:28:37 -720.671434 0.1410 MDMin: 123 20:28:38 -720.671636 0.1329 MDMin: 124 20:28:38 -720.671831 0.1072 MDMin: 125 20:28:39 -720.672026 0.1034 MDMin: 126 20:28:40 -720.672196 0.1069 MDMin: 127 20:28:40 -720.672172 0.1038 MDMin: 128 20:28:41 -720.672407 0.1078 MDMin: 129 20:28:41 -720.672616 0.1133 MDMin: 130 20:28:42 -720.672788 0.1072 MDMin: 131 20:28:43 -720.672877 0.0946 MDMin: 132 20:28:44 -720.673092 0.0891 MDMin: 133 20:28:44 -720.673284 0.0970 MDMin: 134 20:28:45 -720.673470 0.1036 MDMin: 135 20:28:46 -720.673660 0.1072 MDMin: 136 20:28:47 -720.673729 0.1062 MDMin: 137 20:28:47 -720.673805 0.1090 MDMin: 138 20:28:48 -720.674037 0.1057 MDMin: 139 20:28:49 -720.674246 0.0961 MDMin: 140 20:28:49 -720.674462 0.0854 MDMin: 141 20:28:50 -720.674617 0.0743 MDMin: 142 20:28:51 -720.674594 0.0632 MDMin: 143 20:28:51 -720.674887 0.0693 MDMin: 144 20:28:52 -720.675119 0.1122 MDMin: 145 20:28:52 -720.675262 0.1624 MDMin: 146 20:28:53 -720.675376 0.1222 MDMin: 147 20:28:54 -720.675486 0.1327 MDMin: 148 20:28:55 -720.675483 0.1319 MDMin: 149 20:28:55 -720.675620 0.1056 MDMin: 150 20:28:56 -720.675769 0.1017 MDMin: 151 20:28:57 -720.675924 0.1036 MDMin: 152 20:28:58 -720.675954 0.1001 MDMin: 153 20:28:58 -720.676043 0.1040 MDMin: 154 20:28:59 -720.676223 0.1119 MDMin: 155 20:29:00 -720.676392 0.1101 MDMin: 156 20:29:01 -720.676558 0.1001 MDMin: 157 20:29:02 -720.676599 0.0923 MDMin: 158 20:29:03 -720.676659 0.0902 MDMin: 159 20:29:04 -720.676830 0.0715 MDMin: 160 20:29:04 -720.676987 0.0481 MDMin: 161 20:29:05 -720.677139 0.0585 MDMin: 162 20:29:06 -720.677224 0.0730 MDMin: 163 20:29:07 -720.677172 0.0861 MDMin: 164 20:29:08 -720.677348 0.0967 MDMin: 165 20:29:09 -720.677508 0.1049 MDMin: 166 20:29:10 -720.677662 0.1107 MDMin: 167 20:29:11 -720.677798 0.1111 MDMin: 168 20:29:12 -720.677625 0.1129 MDMin: 169 20:29:13 -720.677791 0.1174 MDMin: 170 20:29:13 -720.677927 0.1080 MDMin: 171 20:29:14 -720.678067 0.0987 MDMin: 172 20:29:15 -720.678204 0.0895 MDMin: 173 20:29:16 -720.678338 0.0790 MDMin: 174 20:29:17 -720.678395 0.1319 MDMin: 175 20:29:18 -720.678377 0.1668 MDMin: 176 20:29:19 -720.678424 0.1779 MDMin: 177 20:29:20 -720.678474 0.1573 MDMin: 178 20:29:21 -720.678520 0.1674 MDMin: 179 20:29:22 -720.678566 0.1450 MDMin: 180 20:29:23 -720.678619 0.1349 MDMin: 181 20:29:23 -720.678675 0.1351 MDMin: 182 20:29:24 -720.678730 0.1347 MDMin: 183 20:29:25 -720.678777 0.1455 MDMin: 184 20:29:25 -720.678710 0.1541 MDMin: 185 20:29:26 -720.678775 0.1515 MDMin: 186 20:29:26 -720.678836 0.1471 MDMin: 187 20:29:27 -720.678896 0.1406 MDMin: 188 20:29:27 -720.678953 0.1102 MDMin: 189 20:29:28 -720.679008 0.0785 MDMin: 190 20:29:29 -720.679062 0.0489 MDMin: 191 20:29:30 -720.679116 0.0324 MDMin: 192 20:29:30 -720.679157 0.0386 MDMin: 193 20:29:31 -720.679128 0.0581 MDMin: 194 20:29:32 -720.679177 0.0484 MDMin: 195 20:29:32 -720.679229 0.0184 MDMin: 196 20:29:33 -720.679277 0.0239 MDMin: 197 20:29:34 -720.679316 0.0441 MDMin: 198 20:29:35 -720.679350 0.0509 MDMin: 199 20:29:35 -720.679345 0.0496 MDMin: 200 20:29:36 -720.679361 0.0414 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 720.678780 Iterations: 14 Function evaluations: 28 Formation Energy: -10.004153724393518 Migration Energy: 0.4753741903629134 Calculating Size 7 ... Step Time Energy fmax MDMin: 0 20:30:01 -1142.983388 0.3214 MDMin: 1 20:30:02 -1143.015772 0.3154 MDMin: 2 20:30:03 -1143.108667 0.2945 MDMin: 3 20:30:04 -1143.250204 0.2882 MDMin: 4 20:30:04 -1143.424534 0.2434 MDMin: 5 20:30:05 -1143.616175 0.2344 MDMin: 6 20:30:06 -1143.808997 0.1785 MDMin: 7 20:30:07 -1143.986640 0.1420 MDMin: 8 20:30:07 -1144.147734 0.1084 MDMin: 9 20:30:08 -1144.296701 0.1024 MDMin: 10 20:30:09 -1144.437867 0.0984 MDMin: 11 20:30:10 -1144.569790 0.0862 MDMin: 12 20:30:11 -1144.682696 0.0683 MDMin: 13 20:30:12 -1144.778474 0.0653 MDMin: 14 20:30:13 -1144.860197 0.0635 MDMin: 15 20:30:14 -1144.932127 0.0469 MDMin: 16 20:30:16 -1144.990721 0.0416 MDMin: 17 20:30:16 -1145.043771 0.0466 MDMin: 18 20:30:17 -1145.079789 0.0903 MDMin: 19 20:30:18 -1145.108968 0.1502 MDMin: 20 20:30:18 -1145.135956 0.0537 MDMin: 21 20:30:19 -1145.145685 0.0985 MDMin: 22 20:30:20 -1145.152093 0.0359 MDMin: 23 20:30:20 -1145.157660 0.0920 MDMin: 24 20:30:21 -1145.159294 0.0838 MDMin: 25 20:30:22 -1145.161965 0.0777 MDMin: 26 20:30:23 -1145.164760 0.0746 MDMin: 27 20:30:23 -1145.167655 0.0766 MDMin: 28 20:30:25 -1145.170643 0.0866 MDMin: 29 20:30:25 -1145.173723 0.1069 MDMin: 30 20:30:26 -1145.176876 0.1264 MDMin: 31 20:30:27 -1145.180097 0.1159 MDMin: 32 20:30:28 -1145.183469 0.0971 MDMin: 33 20:30:29 -1145.187014 0.0768 MDMin: 34 20:30:30 -1145.190725 0.0587 MDMin: 35 20:30:31 -1145.194593 0.0572 MDMin: 36 20:30:32 -1145.198641 0.0586 MDMin: 37 20:30:33 -1145.202959 0.0618 MDMin: 38 20:30:34 -1145.207620 0.0779 MDMin: 39 20:30:35 -1145.212636 0.0539 MDMin: 40 20:30:36 -1145.218125 0.0402 MDMin: 41 20:30:37 -1145.223953 0.0398 MDMin: 42 20:30:37 -1145.230008 0.0475 MDMin: 43 20:30:38 -1145.233971 0.0510 MDMin: 44 20:30:39 -1145.236509 0.0702 MDMin: 45 20:30:40 -1145.238868 0.1015 MDMin: 46 20:30:40 -1145.241064 0.1027 MDMin: 47 20:30:41 -1145.243173 0.1354 MDMin: 48 20:30:42 -1145.245139 0.1223 MDMin: 49 20:30:43 -1145.247050 0.0867 MDMin: 50 20:30:43 -1145.248897 0.0535 MDMin: 51 20:30:44 -1145.250472 0.0402 MDMin: 52 20:30:45 -1145.251199 0.0418 MDMin: 53 20:30:46 -1145.252742 0.0602 MDMin: 54 20:30:47 -1145.254038 0.0676 MDMin: 55 20:30:48 -1145.254884 0.0779 MDMin: 56 20:30:49 -1145.255148 0.0987 MDMin: 57 20:30:50 -1145.255451 0.0674 MDMin: 58 20:30:50 -1145.256305 0.0449 MDMin: 59 20:30:51 -1145.256722 0.0430 MDMin: 60 20:30:52 -1145.257427 0.0398 MDMin: 61 20:30:53 -1145.257777 0.0422 MDMin: 62 20:30:54 -1145.258300 0.0437 MDMin: 63 20:30:54 -1145.258391 0.0459 MDMin: 64 20:30:55 -1145.258955 0.0490 MDMin: 65 20:30:56 -1145.259283 0.0581 MDMin: 66 20:30:57 -1145.259045 0.0781 MDMin: 67 20:30:57 -1145.259501 0.1076 MDMin: 68 20:30:58 -1145.259902 0.1273 MDMin: 69 20:30:59 -1145.260283 0.1486 MDMin: 70 20:31:00 -1145.260595 0.1445 MDMin: 71 20:31:00 -1145.260283 0.1220 MDMin: 72 20:31:01 -1145.260692 0.0972 MDMin: 73 20:31:02 -1145.261075 0.0732 MDMin: 74 20:31:03 -1145.261460 0.0541 MDMin: 75 20:31:03 -1145.261855 0.0401 MDMin: 76 20:31:04 -1145.262273 0.0365 MDMin: 77 20:31:05 -1145.262722 0.0378 MDMin: 78 20:31:05 -1145.263205 0.0318 MDMin: 79 20:31:06 -1145.263639 0.0258 MDMin: 80 20:31:07 -1145.263633 0.0242 MDMin: 81 20:31:07 -1145.264241 0.0260 MDMin: 82 20:31:08 -1145.264820 0.0375 MDMin: 83 20:31:09 -1145.265353 0.0433 MDMin: 84 20:31:10 -1145.264822 0.0453 MDMin: 85 20:31:11 -1145.263533 0.0594 MDMin: 86 20:31:11 -1145.261950 0.0785 MDMin: 87 20:31:12 -1145.260318 0.0825 MDMin: 88 20:31:13 -1145.258652 0.0437 MDMin: 89 20:31:14 -1145.257023 0.0430 MDMin: 90 20:31:15 -1145.255481 0.0449 MDMin: 91 20:31:16 -1145.254073 0.0458 MDMin: 92 20:31:17 -1145.252827 0.0460 MDMin: 93 20:31:18 -1145.251763 0.0679 MDMin: 94 20:31:19 -1145.250904 0.1357 MDMin: 95 20:31:20 -1145.250299 0.2069 MDMin: 96 20:31:21 -1145.249885 0.1266 MDMin: 97 20:31:22 -1145.249551 0.0924 MDMin: 98 20:31:23 -1145.249273 0.0629 MDMin: 99 20:31:24 -1145.249007 0.0567 MDMin: 100 20:31:24 -1145.248711 0.0514 MDMin: 101 20:31:25 -1145.248359 0.0452 MDMin: 102 20:31:26 -1145.247949 0.0459 MDMin: 103 20:31:27 -1145.247500 0.0430 MDMin: 104 20:31:27 -1145.247036 0.0485 MDMin: 105 20:31:28 -1145.246592 0.0461 MDMin: 106 20:31:29 -1145.246206 0.0453 MDMin: 107 20:31:30 -1145.245908 0.0390 MDMin: 108 20:31:30 -1145.245714 0.0318 MDMin: 109 20:31:31 -1145.245626 0.0355 MDMin: 110 20:31:32 -1145.245631 0.0384 MDMin: 111 20:31:32 -1145.245696 0.0312 MDMin: 112 20:31:33 -1145.245776 0.0407 MDMin: 113 20:31:33 -1145.245844 0.0524 MDMin: 114 20:31:34 -1145.245892 0.0644 MDMin: 115 20:31:35 -1145.245913 0.0879 MDMin: 116 20:31:36 -1145.245900 0.0744 MDMin: 117 20:31:37 -1145.245853 0.0468 MDMin: 118 20:31:38 -1145.245781 0.0417 MDMin: 119 20:31:38 -1145.245700 0.0466 MDMin: 120 20:31:39 -1145.245626 0.0407 MDMin: 121 20:31:40 -1145.245567 0.0546 MDMin: 122 20:31:41 -1145.245524 0.0535 MDMin: 123 20:31:41 -1145.245489 0.0575 MDMin: 124 20:31:42 -1145.245449 0.0584 MDMin: 125 20:31:43 -1145.245391 0.0638 MDMin: 126 20:31:44 -1145.245301 0.0802 MDMin: 127 20:31:45 -1145.245168 0.1207 MDMin: 128 20:31:46 -1145.244994 0.1862 MDMin: 129 20:31:47 -1145.244796 0.1945 MDMin: 130 20:31:47 -1145.244566 0.1333 MDMin: 131 20:31:48 -1145.244297 0.0975 MDMin: 132 20:31:49 -1145.244002 0.0705 MDMin: 133 20:31:50 -1145.243691 0.0502 MDMin: 134 20:31:51 -1145.243376 0.0425 MDMin: 135 20:31:52 -1145.243066 0.0385 MDMin: 136 20:31:53 -1145.242764 0.0423 MDMin: 137 20:31:54 -1145.242466 0.0568 MDMin: 138 20:31:54 -1145.242166 0.0634 MDMin: 139 20:31:55 -1145.241850 0.0651 MDMin: 140 20:31:56 -1145.241499 0.0377 MDMin: 141 20:31:56 -1145.241102 0.0382 MDMin: 142 20:31:57 -1145.240658 0.0519 MDMin: 143 20:31:58 -1145.240174 0.0731 MDMin: 144 20:31:59 -1145.239660 0.0443 MDMin: 145 20:32:00 -1145.239109 0.0417 MDMin: 146 20:32:00 -1145.238534 0.0401 MDMin: 147 20:32:01 -1145.237953 0.0444 MDMin: 148 20:32:02 -1145.237384 0.0459 MDMin: 149 20:32:02 -1145.236869 0.0542 MDMin: 150 20:32:03 -1145.236434 0.0652 MDMin: 151 20:32:03 -1145.236092 0.0477 MDMin: 152 20:32:04 -1145.235797 0.0314 MDMin: 153 20:32:05 -1145.235521 0.0344 MDMin: 154 20:32:05 -1145.235251 0.0362 MDMin: 155 20:32:06 -1145.234990 0.0351 MDMin: 156 20:32:07 -1145.234739 0.0343 MDMin: 157 20:32:07 -1145.234504 0.0355 MDMin: 158 20:32:08 -1145.234288 0.0375 MDMin: 159 20:32:09 -1145.234097 0.0502 MDMin: 160 20:32:10 -1145.233937 0.0640 MDMin: 161 20:32:10 -1145.233812 0.0426 MDMin: 162 20:32:11 -1145.233723 0.0370 MDMin: 163 20:32:11 -1145.233677 0.0428 MDMin: 164 20:32:12 -1145.233667 0.0404 MDMin: 165 20:32:13 -1145.233684 0.0459 MDMin: 166 20:32:14 -1145.233714 0.0425 MDMin: 167 20:32:14 -1145.233751 0.0361 MDMin: 168 20:32:15 -1145.233795 0.0489 MDMin: 169 20:32:16 -1145.233849 0.0538 MDMin: 170 20:32:16 -1145.233920 0.0625 MDMin: 171 20:32:17 -1145.234009 0.0533 MDMin: 172 20:32:18 -1145.234119 0.0439 MDMin: 173 20:32:18 -1145.234250 0.0357 MDMin: 174 20:32:19 -1145.234408 0.0332 MDMin: 175 20:32:19 -1145.234591 0.0326 MDMin: 176 20:32:20 -1145.234795 0.0320 MDMin: 177 20:32:20 -1145.235008 0.0332 MDMin: 178 20:32:21 -1145.235216 0.0345 MDMin: 179 20:32:22 -1145.235399 0.0352 MDMin: 180 20:32:23 -1145.235532 0.0393 MDMin: 181 20:32:24 -1145.235595 0.0464 MDMin: 182 20:32:25 -1145.235585 0.0440 MDMin: 183 20:32:26 -1145.235515 0.0418 MDMin: 184 20:32:27 -1145.235403 0.0459 MDMin: 185 20:32:28 -1145.235266 0.0479 MDMin: 186 20:32:29 -1145.235118 0.0457 MDMin: 187 20:32:30 -1145.234966 0.0415 MDMin: 188 20:32:31 -1145.234812 0.0403 MDMin: 189 20:32:32 -1145.234659 0.0370 MDMin: 190 20:32:33 -1145.234504 0.0366 MDMin: 191 20:32:33 -1145.234348 0.0396 MDMin: 192 20:32:34 -1145.234193 0.0393 MDMin: 193 20:32:35 -1145.234040 0.0384 MDMin: 194 20:32:36 -1145.233887 0.0335 MDMin: 195 20:32:37 -1145.233736 0.0350 MDMin: 196 20:32:38 -1145.233590 0.0392 MDMin: 197 20:32:38 -1145.233450 0.0380 MDMin: 198 20:32:39 -1145.233319 0.0434 MDMin: 199 20:32:40 -1145.233201 0.0527 MDMin: 200 20:32:41 -1145.233098 0.0565 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate.