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: Mo EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002 bcc [3.147199973464012] 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 16:49:07 -1693.094589 1.1259 MDMin: 1 16:49:07 -1693.274529 0.7988 MDMin: 2 16:49:08 -1693.486398 0.2916 MDMin: 3 16:49:08 -1693.523877 0.3596 MDMin: 4 16:49:08 -1693.535259 0.1214 MDMin: 5 16:49:09 -1693.542829 0.1334 MDMin: 6 16:49:09 -1693.545172 0.1592 MDMin: 7 16:49:09 -1693.545952 0.0473 MDMin: 8 16:49:10 -1693.546970 0.0762 MDMin: 9 16:49:11 -1693.547666 0.1656 MDMin: 10 16:49:12 -1693.547864 0.0772 MDMin: 11 16:49:13 -1693.547986 0.0173 MDMin: 12 16:49:14 -1693.548270 0.0234 MDMin: 13 16:49:15 -1693.548591 0.0544 MDMin: 14 16:49:15 -1693.548726 0.1303 MDMin: 15 16:49:16 -1693.548753 0.0217 MDMin: 16 16:49:16 -1693.548843 0.0508 MDMin: 17 16:49:17 -1693.548884 0.0589 MDMin: 18 16:49:17 -1693.548898 0.0083 MDMin: 19 16:49:18 -1693.548937 0.0154 MDMin: 20 16:49:19 -1693.548973 0.0454 MDMin: 21 16:49:19 -1693.548984 0.0180 MDMin: 22 16:49:20 -1693.548991 0.0034 MDMin: 23 16:49:21 -1693.549005 0.0039 MDMin: 24 16:49:21 -1693.549024 0.0054 MDMin: 25 16:49:22 -1693.549035 0.0180 MDMin: 26 16:49:22 -1693.549041 0.0049 MDMin: 27 16:49:23 -1693.549045 0.0080 MDMin: 28 16:49:24 -1693.549047 0.0094 MDMin: 29 16:49:24 -1693.549049 0.0049 MDMin: 30 16:49:25 -1693.549050 0.0044 MDMin: 31 16:49:26 -1693.549052 0.0069 MDMin: 32 16:49:26 -1693.549053 0.0066 MDMin: 33 16:49:27 -1693.549053 0.0028 MDMin: 34 16:49:27 -1693.549053 0.0029 MDMin: 35 16:49:28 -1693.549054 0.0045 MDMin: 36 16:49:29 -1693.549054 0.0037 MDMin: 37 16:49:29 -1693.549055 0.0024 MDMin: 38 16:49:30 -1693.549054 0.0029 MDMin: 39 16:49:31 -1693.549054 0.0031 MDMin: 40 16:49:32 -1693.549054 0.0026 MDMin: 41 16:49:32 -1693.549054 0.0024 MDMin: 42 16:49:33 -1693.549053 0.0028 MDMin: 43 16:49:34 -1693.549053 0.0029 MDMin: 44 16:49:34 -1693.549052 0.0026 MDMin: 45 16:49:35 -1693.549053 0.0024 MDMin: 46 16:49:36 -1693.549051 0.0026 MDMin: 47 16:49:37 -1693.549052 0.0026 MDMin: 48 16:49:38 -1693.549051 0.0025 MDMin: 49 16:49:38 -1693.549051 0.0025 MDMin: 50 16:49:39 -1693.549050 0.0025 MDMin: 51 16:49:39 -1693.549050 0.0025 MDMin: 52 16:49:40 -1693.549049 0.0025 MDMin: 53 16:49:41 -1693.549049 0.0025 MDMin: 54 16:49:41 -1693.549047 0.0025 MDMin: 55 16:49:42 -1693.549048 0.0025 MDMin: 56 16:49:43 -1693.549046 0.0025 MDMin: 57 16:49:44 -1693.549047 0.0025 MDMin: 58 16:49:44 -1693.549045 0.0025 MDMin: 59 16:49:46 -1693.549045 0.0025 MDMin: 60 16:49:47 -1693.549044 0.0024 MDMin: 61 16:49:47 -1693.549044 0.0018 MDMin: 62 16:49:48 -1693.549041 0.0032 MDMin: 63 16:49:48 -1693.549042 0.0020 MDMin: 64 16:49:49 -1693.549040 0.0029 MDMin: 65 16:49:49 -1693.549041 0.0021 MDMin: 66 16:49:50 -1693.549039 0.0029 MDMin: 67 16:49:50 -1693.549039 0.0019 MDMin: 68 16:49:51 -1693.549037 0.0030 MDMin: 69 16:49:51 -1693.549038 0.0021 MDMin: 70 16:49:51 -1693.549036 0.0030 MDMin: 71 16:49:52 -1693.549036 0.0021 MDMin: 72 16:49:52 -1693.549034 0.0030 MDMin: 73 16:49:53 -1693.549035 0.0021 MDMin: 74 16:49:54 -1693.549033 0.0030 MDMin: 75 16:49:55 -1693.549033 0.0021 MDMin: 76 16:49:55 -1693.549031 0.0030 MDMin: 77 16:49:56 -1693.549032 0.0021 MDMin: 78 16:49:56 -1693.549030 0.0030 MDMin: 79 16:49:58 -1693.549030 0.0021 MDMin: 80 16:49:59 -1693.549029 0.0029 MDMin: 81 16:49:59 -1693.549029 0.0021 MDMin: 82 16:50:00 -1693.549027 0.0029 MDMin: 83 16:50:01 -1693.549028 0.0021 MDMin: 84 16:50:02 -1693.549026 0.0029 MDMin: 85 16:50:02 -1693.549026 0.0021 MDMin: 86 16:50:03 -1693.549025 0.0029 MDMin: 87 16:50:05 -1693.549025 0.0021 MDMin: 88 16:50:05 -1693.549023 0.0029 MDMin: 89 16:50:06 -1693.549023 0.0021 MDMin: 90 16:50:06 -1693.549022 0.0029 MDMin: 91 16:50:07 -1693.549022 0.0021 MDMin: 92 16:50:09 -1693.549020 0.0029 MDMin: 93 16:50:10 -1693.549021 0.0021 MDMin: 94 16:50:11 -1693.549019 0.0028 MDMin: 95 16:50:11 -1693.549020 0.0021 MDMin: 96 16:50:12 -1693.549018 0.0028 MDMin: 97 16:50:13 -1693.549018 0.0021 MDMin: 98 16:50:14 -1693.549017 0.0028 MDMin: 99 16:50:15 -1693.549017 0.0021 MDMin: 100 16:50:15 -1693.549015 0.0028 MDMin: 101 16:50:16 -1693.549015 0.0021 MDMin: 102 16:50:17 -1693.549014 0.0028 MDMin: 103 16:50:17 -1693.549014 0.0021 MDMin: 104 16:50:18 -1693.549012 0.0028 MDMin: 105 16:50:19 -1693.549013 0.0021 MDMin: 106 16:50:20 -1693.549012 0.0028 MDMin: 107 16:50:21 -1693.549012 0.0021 MDMin: 108 16:50:21 -1693.549010 0.0027 MDMin: 109 16:50:22 -1693.549010 0.0020 MDMin: 110 16:50:23 -1693.549009 0.0027 MDMin: 111 16:50:24 -1693.549009 0.0020 MDMin: 112 16:50:25 -1693.549007 0.0027 MDMin: 113 16:50:26 -1693.549008 0.0020 MDMin: 114 16:50:27 -1693.549007 0.0027 MDMin: 115 16:50:28 -1693.549007 0.0020 MDMin: 116 16:50:29 -1693.549005 0.0027 MDMin: 117 16:50:29 -1693.549005 0.0020 MDMin: 118 16:50:30 -1693.549004 0.0027 MDMin: 119 16:50:31 -1693.549004 0.0020 MDMin: 120 16:50:32 -1693.549002 0.0027 MDMin: 121 16:50:33 -1693.549003 0.0020 MDMin: 122 16:50:34 -1693.549002 0.0027 MDMin: 123 16:50:35 -1693.549002 0.0020 MDMin: 124 16:50:36 -1693.549000 0.0026 MDMin: 125 16:50:37 -1693.549000 0.0020 MDMin: 126 16:50:39 -1693.548999 0.0026 MDMin: 127 16:50:39 -1693.549000 0.0020 MDMin: 128 16:50:40 -1693.548998 0.0026 MDMin: 129 16:50:42 -1693.548998 0.0020 MDMin: 130 16:50:43 -1693.548997 0.0026 MDMin: 131 16:50:44 -1693.548997 0.0020 MDMin: 132 16:50:46 -1693.548995 0.0026 MDMin: 133 16:50:46 -1693.548996 0.0019 MDMin: 134 16:50:47 -1693.548995 0.0026 MDMin: 135 16:50:49 -1693.548995 0.0019 MDMin: 136 16:50:50 -1693.548993 0.0026 MDMin: 137 16:50:51 -1693.548993 0.0019 MDMin: 138 16:50:51 -1693.548992 0.0026 MDMin: 139 16:50:53 -1693.548993 0.0019 MDMin: 140 16:50:53 -1693.548991 0.0025 MDMin: 141 16:50:54 -1693.548991 0.0019 MDMin: 142 16:50:56 -1693.548990 0.0025 MDMin: 143 16:50:57 -1693.548990 0.0019 MDMin: 144 16:50:58 -1693.548988 0.0025 MDMin: 145 16:50:59 -1693.548989 0.0019 MDMin: 146 16:51:00 -1693.548988 0.0025 MDMin: 147 16:51:01 -1693.548988 0.0019 MDMin: 148 16:51:02 -1693.548986 0.0025 MDMin: 149 16:51:03 -1693.548986 0.0019 MDMin: 150 16:51:05 -1693.548986 0.0025 MDMin: 151 16:51:07 -1693.548986 0.0019 MDMin: 152 16:51:08 -1693.548984 0.0025 MDMin: 153 16:51:10 -1693.548984 0.0018 MDMin: 154 16:51:10 -1693.548984 0.0025 MDMin: 155 16:51:11 -1693.548984 0.0018 MDMin: 156 16:51:12 -1693.548982 0.0024 MDMin: 157 16:51:14 -1693.548982 0.0018 MDMin: 158 16:51:14 -1693.548982 0.0024 MDMin: 159 16:51:15 -1693.548982 0.0018 MDMin: 160 16:51:17 -1693.548980 0.0024 MDMin: 161 16:51:18 -1693.548980 0.0018 MDMin: 162 16:51:19 -1693.548980 0.0024 MDMin: 163 16:51:20 -1693.548980 0.0018 MDMin: 164 16:51:21 -1693.548978 0.0024 MDMin: 165 16:51:22 -1693.548978 0.0018 MDMin: 166 16:51:24 -1693.548977 0.0024 MDMin: 167 16:51:25 -1693.548978 0.0018 MDMin: 168 16:51:26 -1693.548976 0.0024 MDMin: 169 16:51:27 -1693.548976 0.0018 MDMin: 170 16:51:27 -1693.548975 0.0024 MDMin: 171 16:51:28 -1693.548976 0.0012 MDMin: 172 16:51:30 -1693.548974 0.0022 MDMin: 173 16:51:31 -1693.548975 0.0016 MDMin: 174 16:51:32 -1693.548974 0.0018 MDMin: 175 16:51:33 -1693.548974 0.0018 MDMin: 176 16:51:34 -1693.548973 0.0018 MDMin: 177 16:51:36 -1693.548973 0.0018 MDMin: 178 16:51:36 -1693.548973 0.0018 MDMin: 179 16:51:38 -1693.548972 0.0018 MDMin: 180 16:51:40 -1693.548972 0.0018 MDMin: 181 16:51:41 -1693.548972 0.0017 MDMin: 182 16:51:42 -1693.548971 0.0018 MDMin: 183 16:51:43 -1693.548971 0.0017 MDMin: 184 16:51:45 -1693.548970 0.0017 MDMin: 185 16:51:46 -1693.548970 0.0017 MDMin: 186 16:51:48 -1693.548970 0.0017 MDMin: 187 16:51:49 -1693.548969 0.0017 MDMin: 188 16:51:51 -1693.548969 0.0017 MDMin: 189 16:51:52 -1693.548969 0.0017 MDMin: 190 16:51:53 -1693.548968 0.0017 MDMin: 191 16:51:54 -1693.548968 0.0017 MDMin: 192 16:51:55 -1693.548967 0.0017 MDMin: 193 16:51:56 -1693.548967 0.0017 MDMin: 194 16:51:58 -1693.548967 0.0017 MDMin: 195 16:51:58 -1693.548966 0.0017 MDMin: 196 16:51:59 -1693.548966 0.0017 MDMin: 197 16:52:00 -1693.548966 0.0017 MDMin: 198 16:52:00 -1693.548965 0.0017 MDMin: 199 16:52:02 -1693.548965 0.0017 MDMin: 200 16:52:03 -1693.548965 0.0017 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 1693.541924 Iterations: 15 Function evaluations: 30 Formation Energy: 2.96155830165344 Migration Energy: 1.676537465164074 Calculating Size 6 ... Step Time Energy fmax MDMin: 0 16:52:05 -2934.337743 1.1277 MDMin: 1 16:52:06 -2934.517663 0.7995 MDMin: 2 16:52:08 -2934.729704 0.2925 MDMin: 3 16:52:10 -2934.768766 0.3517 MDMin: 4 16:52:12 -2934.780587 0.1201 MDMin: 5 16:52:14 -2934.788482 0.1662 MDMin: 6 16:52:15 -2934.790722 0.2017 MDMin: 7 16:52:17 -2934.791290 0.0450 MDMin: 8 16:52:19 -2934.792428 0.0747 MDMin: 9 16:52:21 -2934.793056 0.1130 MDMin: 10 16:52:22 -2934.793283 0.0399 MDMin: 11 16:52:24 -2934.793541 0.0458 MDMin: 12 16:52:26 -2934.793788 0.0635 MDMin: 13 16:52:27 -2934.793923 0.0545 MDMin: 14 16:52:29 -2934.794028 0.0305 MDMin: 15 16:52:30 -2934.794170 0.0448 MDMin: 16 16:52:32 -2934.794294 0.0701 MDMin: 17 16:52:33 -2934.794354 0.0392 MDMin: 18 16:52:34 -2934.794406 0.0198 MDMin: 19 16:52:36 -2934.794486 0.0344 MDMin: 20 16:52:37 -2934.794555 0.0611 MDMin: 21 16:52:38 -2934.794589 0.0311 MDMin: 22 16:52:39 -2934.794618 0.0111 MDMin: 23 16:52:42 -2934.794669 0.0196 MDMin: 24 16:52:43 -2934.794717 0.0434 MDMin: 25 16:52:44 -2934.794739 0.0241 MDMin: 26 16:52:46 -2934.794750 0.0036 MDMin: 27 16:52:48 -2934.794779 0.0045 MDMin: 28 16:52:50 -2934.794819 0.0122 MDMin: 29 16:52:51 -2934.794849 0.0505 MDMin: 30 16:52:52 -2934.794858 0.0095 MDMin: 31 16:52:54 -2934.794862 0.0022 MDMin: 32 16:52:55 -2934.794872 0.0030 MDMin: 33 16:52:56 -2934.794887 0.0038 MDMin: 34 16:52:57 -2934.794900 0.0202 MDMin: 35 16:52:59 -2934.794907 0.0169 MDMin: 36 16:53:01 -2934.794909 0.0019 MDMin: 37 16:53:02 -2934.794912 0.0024 MDMin: 38 16:53:03 -2934.794917 0.0056 MDMin: 39 16:53:05 -2934.794920 0.0090 MDMin: 40 16:53:07 -2934.794920 0.0018 MDMin: 41 16:53:09 -2934.794921 0.0026 MDMin: 42 16:53:10 -2934.794923 0.0048 MDMin: 43 16:53:12 -2934.794924 0.0042 MDMin: 44 16:53:13 -2934.794925 0.0021 MDMin: 45 16:53:14 -2934.794924 0.0024 MDMin: 46 16:53:15 -2934.794925 0.0030 MDMin: 47 16:53:17 -2934.794926 0.0026 MDMin: 48 16:53:19 -2934.794926 0.0020 MDMin: 49 16:53:21 -2934.794926 0.0024 MDMin: 50 16:53:22 -2934.794926 0.0026 MDMin: 51 16:53:23 -2934.794926 0.0024 MDMin: 52 16:53:25 -2934.794926 0.0019 MDMin: 53 16:53:26 -2934.794926 0.0023 MDMin: 54 16:53:27 -2934.794926 0.0025 MDMin: 55 16:53:27 -2934.794926 0.0022 MDMin: 56 16:53:29 -2934.794926 0.0019 MDMin: 57 16:53:30 -2934.794925 0.0022 MDMin: 58 16:53:33 -2934.794925 0.0023 MDMin: 59 16:53:34 -2934.794924 0.0020 MDMin: 60 16:53:36 -2934.794924 0.0019 MDMin: 61 16:53:38 -2934.794924 0.0021 MDMin: 62 16:53:39 -2934.794923 0.0022 MDMin: 63 16:53:41 -2934.794923 0.0020 MDMin: 64 16:53:42 -2934.794923 0.0019 MDMin: 65 16:53:44 -2934.794922 0.0020 MDMin: 66 16:53:45 -2934.794922 0.0021 MDMin: 67 16:53:47 -2934.794921 0.0020 MDMin: 68 16:53:48 -2934.794921 0.0020 MDMin: 69 16:53:50 -2934.794920 0.0020 MDMin: 70 16:53:51 -2934.794920 0.0020 MDMin: 71 16:53:51 -2934.794919 0.0020 MDMin: 72 16:53:52 -2934.794919 0.0020 MDMin: 73 16:53:54 -2934.794918 0.0020 MDMin: 74 16:53:56 -2934.794918 0.0020 MDMin: 75 16:53:58 -2934.794917 0.0020 MDMin: 76 16:53:59 -2934.794917 0.0020 MDMin: 77 16:54:01 -2934.794916 0.0019 MDMin: 78 16:54:02 -2934.794916 0.0019 MDMin: 79 16:54:04 -2934.794915 0.0019 MDMin: 80 16:54:07 -2934.794915 0.0019 MDMin: 81 16:54:08 -2934.794914 0.0019 MDMin: 82 16:54:08 -2934.794914 0.0019 MDMin: 83 16:54:10 -2934.794913 0.0019 MDMin: 84 16:54:12 -2934.794913 0.0019 MDMin: 85 16:54:14 -2934.794912 0.0019 MDMin: 86 16:54:15 -2934.794912 0.0019 MDMin: 87 16:54:16 -2934.794911 0.0019 MDMin: 88 16:54:18 -2934.794911 0.0019 MDMin: 89 16:54:19 -2934.794910 0.0019 MDMin: 90 16:54:21 -2934.794910 0.0019 MDMin: 91 16:54:23 -2934.794909 0.0019 MDMin: 92 16:54:24 -2934.794909 0.0019 MDMin: 93 16:54:26 -2934.794908 0.0018 MDMin: 94 16:54:27 -2934.794908 0.0018 MDMin: 95 16:54:29 -2934.794907 0.0018 MDMin: 96 16:54:31 -2934.794907 0.0018 MDMin: 97 16:54:34 -2934.794906 0.0018 MDMin: 98 16:54:35 -2934.794906 0.0018 MDMin: 99 16:54:36 -2934.794906 0.0018 MDMin: 100 16:54:37 -2934.794905 0.0018 MDMin: 101 16:54:39 -2934.794905 0.0018 MDMin: 102 16:54:41 -2934.794904 0.0018 MDMin: 103 16:54:42 -2934.794904 0.0018 MDMin: 104 16:54:44 -2934.794903 0.0018 MDMin: 105 16:54:45 -2934.794903 0.0018 MDMin: 106 16:54:46 -2934.794902 0.0018 MDMin: 107 16:54:47 -2934.794902 0.0018 MDMin: 108 16:54:48 -2934.794901 0.0018 MDMin: 109 16:54:49 -2934.794901 0.0017 MDMin: 110 16:54:50 -2934.794900 0.0017 MDMin: 111 16:54:53 -2934.794900 0.0017 MDMin: 112 16:54:55 -2934.794899 0.0017 MDMin: 113 16:54:58 -2934.794899 0.0017 MDMin: 114 16:55:00 -2934.794898 0.0017 MDMin: 115 16:55:01 -2934.794898 0.0017 MDMin: 116 16:55:01 -2934.794898 0.0017 MDMin: 117 16:55:01 -2934.794897 0.0017 MDMin: 118 16:55:02 -2934.794897 0.0017 MDMin: 119 16:55:03 -2934.794896 0.0017 MDMin: 120 16:55:04 -2934.794896 0.0017 MDMin: 121 16:55:05 -2934.794895 0.0017 MDMin: 122 16:55:07 -2934.794895 0.0017 MDMin: 123 16:55:08 -2934.794895 0.0017 MDMin: 124 16:55:08 -2934.794894 0.0017 MDMin: 125 16:55:09 -2934.794894 0.0017 MDMin: 126 16:55:10 -2934.794893 0.0017 MDMin: 127 16:55:12 -2934.794893 0.0017 MDMin: 128 16:55:13 -2934.794892 0.0017 MDMin: 129 16:55:14 -2934.794892 0.0016 MDMin: 130 16:55:15 -2934.794891 0.0016 MDMin: 131 16:55:15 -2934.794891 0.0016 MDMin: 132 16:55:16 -2934.794891 0.0016 MDMin: 133 16:55:17 -2934.794890 0.0016 MDMin: 134 16:55:19 -2934.794890 0.0016 MDMin: 135 16:55:20 -2934.794890 0.0016 MDMin: 136 16:55:21 -2934.794889 0.0016 MDMin: 137 16:55:21 -2934.794889 0.0016 MDMin: 138 16:55:22 -2934.794888 0.0016 MDMin: 139 16:55:23 -2934.794888 0.0016 MDMin: 140 16:55:25 -2934.794887 0.0016 MDMin: 141 16:55:26 -2934.794887 0.0016 MDMin: 142 16:55:28 -2934.794886 0.0016 MDMin: 143 16:55:30 -2934.794886 0.0016 MDMin: 144 16:55:31 -2934.794886 0.0016 MDMin: 145 16:55:31 -2934.794885 0.0016 MDMin: 146 16:55:32 -2934.794885 0.0016 MDMin: 147 16:55:33 -2934.794885 0.0016 MDMin: 148 16:55:34 -2934.794884 0.0016 MDMin: 149 16:55:35 -2934.794884 0.0016 MDMin: 150 16:55:37 -2934.794883 0.0016 MDMin: 151 16:55:37 -2934.794883 0.0015 MDMin: 152 16:55:39 -2934.794882 0.0015 MDMin: 153 16:55:39 -2934.794882 0.0015 MDMin: 154 16:55:41 -2934.794882 0.0015 MDMin: 155 16:55:43 -2934.794882 0.0015 MDMin: 156 16:55:45 -2934.794881 0.0015 MDMin: 157 16:55:47 -2934.794881 0.0015 MDMin: 158 16:55:49 -2934.794880 0.0015 MDMin: 159 16:55:50 -2934.794880 0.0015 MDMin: 160 16:55:52 -2934.794879 0.0015 MDMin: 161 16:55:53 -2934.794879 0.0015 MDMin: 162 16:55:54 -2934.794879 0.0015 MDMin: 163 16:55:56 -2934.794879 0.0015 MDMin: 164 16:55:56 -2934.794878 0.0015 MDMin: 165 16:55:57 -2934.794878 0.0015 MDMin: 166 16:55:57 -2934.794877 0.0015 MDMin: 167 16:55:59 -2934.794877 0.0015 MDMin: 168 16:56:00 -2934.794876 0.0015 MDMin: 169 16:56:01 -2934.794876 0.0015 MDMin: 170 16:56:02 -2934.794876 0.0015 MDMin: 171 16:56:03 -2934.794876 0.0015 MDMin: 172 16:56:04 -2934.794875 0.0015 MDMin: 173 16:56:05 -2934.794875 0.0015 MDMin: 174 16:56:06 -2934.794874 0.0014 MDMin: 175 16:56:07 -2934.794874 0.0014 MDMin: 176 16:56:09 -2934.794874 0.0014 MDMin: 177 16:56:10 -2934.794874 0.0014 MDMin: 178 16:56:11 -2934.794873 0.0014 MDMin: 179 16:56:12 -2934.794873 0.0014 MDMin: 180 16:56:13 -2934.794872 0.0014 MDMin: 181 16:56:15 -2934.794872 0.0014 MDMin: 182 16:56:17 -2934.794872 0.0014 MDMin: 183 16:56:18 -2934.794872 0.0014 MDMin: 184 16:56:19 -2934.794871 0.0014 MDMin: 185 16:56:19 -2934.794871 0.0014 MDMin: 186 16:56:20 -2934.794870 0.0014 MDMin: 187 16:56:21 -2934.794870 0.0014 MDMin: 188 16:56:22 -2934.794870 0.0014 MDMin: 189 16:56:24 -2934.794869 0.0014 MDMin: 190 16:56:25 -2934.794869 0.0014 MDMin: 191 16:56:25 -2934.794869 0.0014 MDMin: 192 16:56:28 -2934.794868 0.0014 MDMin: 193 16:56:30 -2934.794868 0.0014 MDMin: 194 16:56:32 -2934.794868 0.0014 MDMin: 195 16:56:34 -2934.794868 0.0014 MDMin: 196 16:56:35 -2934.794867 0.0014 MDMin: 197 16:56:36 -2934.794867 0.0014 MDMin: 198 16:56:37 -2934.794866 0.0013 MDMin: 199 16:56:38 -2934.794866 0.0013 MDMin: 200 16:56:40 -2934.794866 0.0013 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 2934.787986 Iterations: 15 Function evaluations: 30 Formation Energy: 2.960435905765735 Migration Energy: 1.6716121768686207 Calculating Size 7 ... Step Time Energy fmax MDMin: 0 16:56:42 -4666.618944 1.1280 MDMin: 1 16:56:42 -4666.798759 0.7996 MDMin: 2 16:56:44 -4667.010721 0.2928 MDMin: 3 16:56:46 -4667.049997 0.3501 MDMin: 4 16:56:47 -4667.062036 0.1196 MDMin: 5 16:56:49 -4667.070026 0.1752 MDMin: 6 16:56:51 -4667.072271 0.2137 MDMin: 7 16:56:52 -4667.072816 0.0462 MDMin: 8 16:56:54 -4667.073961 0.0777 MDMin: 9 16:56:56 -4667.074552 0.1053 MDMin: 10 16:56:57 -4667.074758 0.0364 MDMin: 11 16:56:58 -4667.075041 0.0457 MDMin: 12 16:57:00 -4667.075295 0.0718 MDMin: 13 16:57:01 -4667.075419 0.0498 MDMin: 14 16:57:02 -4667.075525 0.0278 MDMin: 15 16:57:03 -4667.075677 0.0441 MDMin: 16 16:57:03 -4667.075805 0.0730 MDMin: 17 16:57:03 -4667.075866 0.0355 MDMin: 18 16:57:05 -4667.075922 0.0195 MDMin: 19 16:57:06 -4667.076012 0.0347 MDMin: 20 16:57:07 -4667.076093 0.0636 MDMin: 21 16:57:09 -4667.076132 0.0324 MDMin: 22 16:57:09 -4667.076165 0.0114 MDMin: 23 16:57:11 -4667.076223 0.0199 MDMin: 24 16:57:12 -4667.076286 0.0450 MDMin: 25 16:57:13 -4667.076314 0.0283 MDMin: 26 16:57:14 -4667.076330 0.0034 MDMin: 27 16:57:16 -4667.076368 0.0050 MDMin: 28 16:57:17 -4667.076424 0.0153 MDMin: 29 16:57:18 -4667.076468 0.0597 MDMin: 30 16:57:19 -4667.076479 0.0131 MDMin: 31 16:57:20 -4667.076485 0.0023 MDMin: 32 16:57:22 -4667.076503 0.0029 MDMin: 33 16:57:23 -4667.076530 0.0049 MDMin: 34 16:57:25 -4667.076555 0.0276 MDMin: 35 16:57:26 -4667.076566 0.0288 MDMin: 36 16:57:28 -4667.076570 0.0019 MDMin: 37 16:57:30 -4667.076577 0.0029 MDMin: 38 16:57:31 -4667.076588 0.0102 MDMin: 39 16:57:33 -4667.076595 0.0202 MDMin: 40 16:57:35 -4667.076597 0.0024 MDMin: 41 16:57:35 -4667.076601 0.0034 MDMin: 42 16:57:37 -4667.076607 0.0078 MDMin: 43 16:57:38 -4667.076609 0.0050 MDMin: 44 16:57:39 -4667.076611 0.0024 MDMin: 45 16:57:40 -4667.076612 0.0032 MDMin: 46 16:57:42 -4667.076616 0.0058 MDMin: 47 16:57:43 -4667.076618 0.0045 MDMin: 48 16:57:44 -4667.076619 0.0018 MDMin: 49 16:57:46 -4667.076619 0.0023 MDMin: 50 16:57:47 -4667.076622 0.0042 MDMin: 51 16:57:48 -4667.076623 0.0051 MDMin: 52 16:57:49 -4667.076624 0.0017 MDMin: 53 16:57:50 -4667.076624 0.0025 MDMin: 54 16:57:51 -4667.076625 0.0030 MDMin: 55 16:57:53 -4667.076626 0.0034 MDMin: 56 16:57:54 -4667.076627 0.0017 MDMin: 57 16:57:55 -4667.076626 0.0023 MDMin: 58 16:57:56 -4667.076627 0.0033 MDMin: 59 16:57:56 -4667.076628 0.0026 MDMin: 60 16:57:57 -4667.076628 0.0017 MDMin: 61 16:57:59 -4667.076627 0.0021 MDMin: 62 16:58:01 -4667.076627 0.0025 MDMin: 63 16:58:02 -4667.076628 0.0021 MDMin: 64 16:58:03 -4667.076628 0.0016 MDMin: 65 16:58:05 -4667.076627 0.0020 MDMin: 66 16:58:06 -4667.076627 0.0023 MDMin: 67 16:58:07 -4667.076627 0.0021 MDMin: 68 16:58:08 -4667.076627 0.0016 MDMin: 69 16:58:08 -4667.076626 0.0019 MDMin: 70 16:58:08 -4667.076626 0.0022 MDMin: 71 16:58:10 -4667.076626 0.0019 MDMin: 72 16:58:11 -4667.076626 0.0016 MDMin: 73 16:58:12 -4667.076625 0.0021 MDMin: 74 16:58:13 -4667.076625 0.0018 MDMin: 75 16:58:14 -4667.076624 0.0018 MDMin: 76 16:58:15 -4667.076625 0.0017 MDMin: 77 16:58:16 -4667.076623 0.0019 MDMin: 78 16:58:17 -4667.076624 0.0018 MDMin: 79 16:58:18 -4667.076623 0.0017 MDMin: 80 16:58:19 -4667.076623 0.0017 MDMin: 81 16:58:20 -4667.076622 0.0018 MDMin: 82 16:58:20 -4667.076622 0.0018 MDMin: 83 16:58:21 -4667.076621 0.0017 MDMin: 84 16:58:22 -4667.076621 0.0017 MDMin: 85 16:58:24 -4667.076620 0.0018 MDMin: 86 16:58:24 -4667.076620 0.0018 MDMin: 87 16:58:25 -4667.076620 0.0017 MDMin: 88 16:58:27 -4667.076620 0.0017 MDMin: 89 16:58:29 -4667.076619 0.0017 MDMin: 90 16:58:31 -4667.076619 0.0017 MDMin: 91 16:58:33 -4667.076618 0.0017 MDMin: 92 16:58:35 -4667.076618 0.0017 MDMin: 93 16:58:36 -4667.076617 0.0017 MDMin: 94 16:58:38 -4667.076617 0.0017 MDMin: 95 16:58:39 -4667.076616 0.0017 MDMin: 96 16:58:40 -4667.076616 0.0017 MDMin: 97 16:58:40 -4667.076615 0.0017 MDMin: 98 16:58:41 -4667.076615 0.0017 MDMin: 99 16:58:42 -4667.076614 0.0016 MDMin: 100 16:58:43 -4667.076614 0.0016 MDMin: 101 16:58:44 -4667.076614 0.0016 MDMin: 102 16:58:45 -4667.076614 0.0016 MDMin: 103 16:58:46 -4667.076613 0.0016 MDMin: 104 16:58:47 -4667.076613 0.0016 MDMin: 105 16:58:48 -4667.076612 0.0016 MDMin: 106 16:58:49 -4667.076612 0.0016 MDMin: 107 16:58:50 -4667.076611 0.0016 MDMin: 108 16:58:52 -4667.076611 0.0016 MDMin: 109 16:58:53 -4667.076610 0.0016 MDMin: 110 16:58:53 -4667.076610 0.0016 MDMin: 111 16:58:55 -4667.076609 0.0016 MDMin: 112 16:58:58 -4667.076609 0.0016 MDMin: 113 16:58:59 -4667.076609 0.0016 MDMin: 114 16:59:01 -4667.076608 0.0016 MDMin: 115 16:59:02 -4667.076608 0.0016 MDMin: 116 16:59:03 -4667.076608 0.0016 MDMin: 117 16:59:04 -4667.076607 0.0015 MDMin: 118 16:59:05 -4667.076607 0.0015 MDMin: 119 16:59:06 -4667.076606 0.0015 MDMin: 120 16:59:08 -4667.076606 0.0015 MDMin: 121 16:59:08 -4667.076605 0.0015 MDMin: 122 16:59:09 -4667.076605 0.0015 MDMin: 123 16:59:10 -4667.076604 0.0015 MDMin: 124 16:59:10 -4667.076604 0.0015 MDMin: 125 16:59:10 -4667.076604 0.0015 MDMin: 126 16:59:10 -4667.076604 0.0015 MDMin: 127 16:59:11 -4667.076603 0.0015 MDMin: 128 16:59:11 -4667.076603 0.0015 MDMin: 129 16:59:11 -4667.076602 0.0015 MDMin: 130 16:59:12 -4667.076602 0.0015 MDMin: 131 16:59:12 -4667.076601 0.0015 MDMin: 132 16:59:12 -4667.076601 0.0015 MDMin: 133 16:59:12 -4667.076601 0.0015 MDMin: 134 16:59:12 -4667.076600 0.0015 MDMin: 135 16:59:12 -4667.076600 0.0014 MDMin: 136 16:59:13 -4667.076600 0.0014 MDMin: 137 16:59:13 -4667.076599 0.0014 MDMin: 138 16:59:13 -4667.076599 0.0014 MDMin: 139 16:59:13 -4667.076598 0.0014 MDMin: 140 16:59:14 -4667.076598 0.0014 MDMin: 141 16:59:15 -4667.076598 0.0014 MDMin: 142 16:59:17 -4667.076597 0.0014 MDMin: 143 16:59:18 -4667.076597 0.0014 MDMin: 144 16:59:19 -4667.076597 0.0014 MDMin: 145 16:59:20 -4667.076596 0.0014 MDMin: 146 16:59:21 -4667.076596 0.0014 MDMin: 147 16:59:23 -4667.076595 0.0014 MDMin: 148 16:59:25 -4667.076595 0.0014 MDMin: 149 16:59:25 -4667.076595 0.0014 MDMin: 150 16:59:27 -4667.076595 0.0014 MDMin: 151 16:59:28 -4667.076594 0.0014 MDMin: 152 16:59:29 -4667.076594 0.0014 MDMin: 153 16:59:31 -4667.076593 0.0014 MDMin: 154 16:59:32 -4667.076593 0.0014 MDMin: 155 16:59:33 -4667.076593 0.0013 MDMin: 156 16:59:34 -4667.076592 0.0013 MDMin: 157 16:59:35 -4667.076592 0.0013 MDMin: 158 16:59:36 -4667.076592 0.0013 MDMin: 159 16:59:37 -4667.076591 0.0013 MDMin: 160 16:59:38 -4667.076591 0.0013 MDMin: 161 16:59:39 -4667.076591 0.0013 MDMin: 162 16:59:40 -4667.076590 0.0013 MDMin: 163 16:59:41 -4667.076590 0.0013 MDMin: 164 16:59:42 -4667.076590 0.0013 MDMin: 165 16:59:44 -4667.076589 0.0013 MDMin: 166 16:59:45 -4667.076589 0.0013 MDMin: 167 16:59:47 -4667.076589 0.0013 MDMin: 168 16:59:48 -4667.076588 0.0013 MDMin: 169 16:59:49 -4667.076588 0.0013 MDMin: 170 16:59:49 -4667.076588 0.0013 MDMin: 171 16:59:50 -4667.076587 0.0013 MDMin: 172 16:59:52 -4667.076587 0.0013 MDMin: 173 16:59:52 -4667.076587 0.0013 MDMin: 174 16:59:53 -4667.076587 0.0013 MDMin: 175 16:59:54 -4667.076586 0.0012 MDMin: 176 16:59:54 -4667.076586 0.0012 MDMin: 177 16:59:55 -4667.076586 0.0012 MDMin: 178 16:59:56 -4667.076585 0.0012 MDMin: 179 16:59:57 -4667.076585 0.0012 MDMin: 180 16:59:58 -4667.076585 0.0012 MDMin: 181 16:59:59 -4667.076584 0.0012 MDMin: 182 16:59:59 -4667.076584 0.0012 MDMin: 183 17:00:00 -4667.076584 0.0012 MDMin: 184 17:00:00 -4667.076584 0.0012 MDMin: 185 17:00:00 -4667.076583 0.0012 MDMin: 186 17:00:01 -4667.076583 0.0012 MDMin: 187 17:00:02 -4667.076583 0.0012 MDMin: 188 17:00:04 -4667.076582 0.0012 MDMin: 189 17:00:05 -4667.076582 0.0012 MDMin: 190 17:00:06 -4667.076582 0.0012 MDMin: 191 17:00:07 -4667.076581 0.0012 MDMin: 192 17:00:08 -4667.076581 0.0012 MDMin: 193 17:00:09 -4667.076581 0.0012 MDMin: 194 17:00:09 -4667.076581 0.0012 MDMin: 195 17:00:11 -4667.076580 0.0012 MDMin: 196 17:00:12 -4667.076580 0.0012 MDMin: 197 17:00:13 -4667.076580 0.0012 MDMin: 198 17:00:13 -4667.076580 0.0012 MDMin: 199 17:00:15 -4667.076579 0.0012 MDMin: 200 17:00:15 -4667.076579 0.0012 [ERR1048]NEB Failed: Steps Exceeds Maximum. Vacancy Migration Energy May Not Be Accurate. Optimization terminated successfully. Current function value: 4667.069875 Iterations: 16 Function evaluations: 32 Formation Energy: 2.960138840791842 Migration Energy: 1.6700404422890642 [Calculation Results Summary] Size MigrationEnergy FormationEnergy [5, 1.676537465164074, 2.96155830165344] [6, 1.6716121768686207, 2.960435905765735] [7, 1.6700404422890642, 2.960138840791842] [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: [1.676537465164074, 1.6716121768686207] Fitting Results: (array([1.66484667, 1.46134927]), 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: [1.6716121768686207, 1.6700404422890642] Fitting Results: (array([1.66736726, 0.91690293]), 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: [1.676537465164074, 1.6716121768686207, 1.6700404422890642] Fitting Results: (array([1.66597664, 1.3033161 ]), array([2.46426224e-07]), 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: [2.96155830165344, 2.960435905765735] Fitting Results: (array([2.95889415, 0.33301856]), 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: [2.960435905765735, 2.960138840791842] Fitting Results: (array([2.9596336 , 0.17329882]), 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: [2.96155830165344, 2.960435905765735, 2.960138840791842] Fitting Results: (array([2.95922564, 0.28665767]), array([2.12077184e-08]), 2, array([1.73207406, 0.00365829])) Vacancy Migration Energy: [1.6673672559175352, 0.0013906128370106963] Vacancy Formation Energy: [2.959633596426796, 0.0004079526387870125] 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" 1.6673672559175352 "source-unit" "eV" "source-std-uncert-value" 0.0013906128370106963 } "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" 3.147199973464012 "source-unit" "angstrom" } "host-b" { "source-value" 3.147199973464012 "source-unit" "angstrom" } "host-c" { "source-value" 3.147199973464012 "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" [ "Mo" ] } } { "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" 2.959633596426796 "source-unit" "eV" "source-std-uncert-value" 0.0004079526387870125 } "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" 3.147199973464012 "source-unit" "angstrom" } "host-b" { "source-value" 3.147199973464012 "source-unit" "angstrom" } "host-c" { "source-value" 3.147199973464012 "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" [ "Mo" ] } "reservoir-cohesive-potential-energy" { "source-value" -13.640000159058628 "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" 3.147199973464012 "source-unit" "angstrom" } "reservoir-b" { "source-value" 3.147199973464012 "source-unit" "angstrom" } "reservoir-c" { "source-value" 3.147199973464012 "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" [ "Mo" ] } } ] Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42 Potential info: Mo potential Atomic number: 42