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: Ra LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 bcc [4.865031160414219] Cell Size Min: 5 Cell Size Max: 7 Smallest System Size: 250 Largest System Size: 686 [Calculation] Calculating Size 5 ... Step Time Energy fmax MDMin: 0 15:32:12 -3370.610466 9.5580 MDMin: 1 15:32:13 -3373.568911 4.3965 MDMin: 2 15:32:14 -3373.823402 5.7166 MDMin: 3 15:32:14 -3374.439154 4.3250 MDMin: 4 15:32:15 -3375.262987 3.0904 MDMin: 5 15:32:15 -3375.703144 1.7797 MDMin: 6 15:32:15 -3375.903937 1.5863 MDMin: 7 15:32:16 -3375.907428 1.5956 MDMin: 8 15:32:16 -3375.804791 2.0925 MDMin: 9 15:32:16 -3375.828106 1.9599 MDMin: 10 15:32:16 -3376.019737 1.5907 MDMin: 11 15:32:17 -3376.179422 1.0563 MDMin: 12 15:32:17 -3376.250093 0.9499 MDMin: 13 15:32:17 -3376.240087 1.2979 MDMin: 14 15:32:17 -3376.169821 2.4112 MDMin: 15 15:32:18 -3376.045552 2.9708 MDMin: 16 15:32:18 -3375.868127 3.3049 MDMin: 17 15:32:19 -3375.688293 3.1325 MDMin: 18 15:32:20 -3375.505769 4.8100 MDMin: 19 15:32:21 -3375.702013 2.5102 MDMin: 20 15:32:22 -3375.636430 3.4621 MDMin: 21 15:32:23 -3376.051385 2.2337 MDMin: 22 15:32:23 -3376.150511 2.2159 MDMin: 23 15:32:24 -3376.339924 2.1290 MDMin: 24 15:32:25 -3376.369584 2.1693 MDMin: 25 15:32:26 -3376.388226 2.3313 MDMin: 26 15:32:27 -3376.399902 2.5346 MDMin: 27 15:32:27 -3376.412658 2.7254 MDMin: 28 15:32:28 -3376.428557 2.7720 MDMin: 29 15:32:29 -3376.445885 2.7178 MDMin: 30 15:32:29 -3376.461485 2.5322 MDMin: 31 15:32:30 -3376.472978 2.4299 MDMin: 32 15:32:30 -3376.480639 2.3933 MDMin: 33 15:32:30 -3376.486155 2.5932 MDMin: 34 15:32:31 -3376.492265 2.8126 MDMin: 35 15:32:31 -3376.502012 3.1230 MDMin: 36 15:32:32 -3376.515522 3.2120 MDMin: 37 15:32:32 -3376.531385 3.2896 MDMin: 38 15:32:33 -3376.547891 3.1666 MDMin: 39 15:32:33 -3376.564733 3.1632 MDMin: 40 15:32:34 -3376.582286 3.1518 MDMin: 41 15:32:34 -3376.603724 3.4204 MDMin: 42 15:32:35 -3376.632494 3.6357 MDMin: 43 15:32:35 -3376.642850 4.0330 MDMin: 44 15:32:35 -3376.603223 4.1011 MDMin: 45 15:32:36 -3376.653987 4.2032 MDMin: 46 15:32:36 -3376.711065 3.9913 MDMin: 47 15:32:36 -3376.832673 4.0436 MDMin: 48 15:32:37 -3376.839146 4.0593 MDMin: 49 15:32:37 -3376.778156 4.4224 MDMin: 50 15:32:37 -3376.667181 4.5407 MDMin: 51 15:32:38 -3376.667075 4.8637 MDMin: 52 15:32:38 -3376.735215 4.7103 MDMin: 53 15:32:39 -3376.962744 4.7049 MDMin: 54 15:32:39 -3377.073408 4.2625 MDMin: 55 15:32:39 -3377.419816 4.1210 MDMin: 56 15:32:40 -3377.517236 3.9345 MDMin: 57 15:32:40 -3377.633212 4.0176 MDMin: 58 15:32:40 -3377.774138 4.1140 MDMin: 59 15:32:41 -3377.858846 4.3979 MDMin: 60 15:32:41 -3377.940679 4.2605 MDMin: 61 15:32:41 -3378.019582 4.0190 MDMin: 62 15:32:42 -3378.333934 3.5046 MDMin: 63 15:32:42 -3378.471080 3.2155 MDMin: 64 15:32:42 -3378.632168 2.9714 MDMin: 65 15:32:43 -3378.822734 3.0948 MDMin: 66 15:32:43 -3379.047539 3.2854 MDMin: 67 15:32:43 -3379.242970 3.4595 MDMin: 68 15:32:44 -3379.313226 3.5228 MDMin: 69 15:32:44 -3379.566923 3.1375 MDMin: 70 15:32:44 -3379.617340 2.7911 MDMin: 71 15:32:45 -3379.804534 2.2398 MDMin: 72 15:32:45 -3379.967180 2.2070 MDMin: 73 15:32:45 -3380.124933 2.2739 MDMin: 74 15:32:46 -3380.050184 2.7412 MDMin: 75 15:32:46 -3379.986974 2.8682 MDMin: 76 15:32:46 -3379.980048 3.1211 MDMin: 77 15:32:47 -3380.069276 2.7691 MDMin: 78 15:32:47 -3380.194032 2.4786 MDMin: 79 15:32:47 -3380.294084 2.0026 MDMin: 80 15:32:47 -3380.323895 1.9144 MDMin: 81 15:32:48 -3380.291287 2.0129 MDMin: 82 15:32:48 -3380.216221 2.4409 MDMin: 83 15:32:48 -3380.137517 2.6727 MDMin: 84 15:32:49 -3380.098972 2.9201 MDMin: 85 15:32:49 -3380.130963 2.6662 MDMin: 86 15:32:49 -3380.200894 2.3806 MDMin: 87 15:32:49 -3380.257632 1.9966 MDMin: 88 15:32:49 -3380.264874 1.8822 MDMin: 89 15:32:50 -3380.223385 2.3287 MDMin: 90 15:32:50 -3380.149846 2.5053 MDMin: 91 15:32:50 -3380.070673 3.1338 MDMin: 92 15:32:50 -3380.013974 2.9113 MDMin: 93 15:32:50 -3380.009639 3.2010 MDMin: 94 15:32:51 -3380.053787 2.7523 MDMin: 95 15:32:51 -3380.111928 2.7697 MDMin: 96 15:32:51 -3380.145952 2.4762 MDMin: 97 15:32:51 -3380.145380 2.8063 MDMin: 98 15:32:51 -3380.119364 2.9011 MDMin: 99 15:32:52 -3380.084776 3.5920 MDMin: 100 15:32:52 -3380.063160 3.5470 MDMin: 101 15:32:52 -3380.067892 3.8674 MDMin: 102 15:32:52 -3380.095122 3.3543 MDMin: 103 15:32:53 -3380.126022 3.1817 MDMin: 104 15:32:53 -3380.145644 2.6567 MDMin: 105 15:32:53 -3380.150264 2.7110 MDMin: 106 15:32:53 -3380.145279 2.6328 MDMin: 107 15:32:53 -3380.137031 3.0020 MDMin: 108 15:32:54 -3380.132350 3.0154 MDMin: 109 15:32:54 -3380.134222 3.1623 MDMin: 110 15:32:54 -3380.141824 2.8679 MDMin: 111 15:32:54 -3380.150223 2.8554 MDMin: 112 15:32:54 -3380.156040 2.4925 MDMin: 113 15:32:55 -3380.158394 2.7564 MDMin: 114 15:32:55 -3380.158649 2.8427 MDMin: 115 15:32:55 -3380.158191 3.5260 MDMin: 116 15:32:55 -3380.158515 3.6649 MDMin: 117 15:32:55 -3380.160841 4.0845 MDMin: 118 15:32:56 -3380.165182 3.6369 MDMin: 119 15:32:56 -3380.170345 3.4321 MDMin: 120 15:32:56 -3380.175036 2.7759 MDMin: 121 15:32:56 -3380.178995 2.6498 MDMin: 122 15:32:56 -3380.182524 2.5195 MDMin: 123 15:32:57 -3380.186102 2.9324 MDMin: 124 15:32:57 -3380.189804 3.0822 MDMin: 125 15:32:57 -3380.193814 3.4203 MDMin: 126 15:32:57 -3380.197966 3.1631 MDMin: 127 15:32:57 -3380.202248 2.9735 MDMin: 128 15:32:58 -3380.206410 2.3957 MDMin: 129 15:32:58 -3380.210596 2.1203 MDMin: 130 15:32:58 -3380.214903 2.0077 MDMin: 131 15:32:58 -3380.219582 2.2515 MDMin: 132 15:32:58 -3380.224467 2.6573 MDMin: 133 15:32:59 -3380.229498 2.9476 MDMin: 134 15:32:59 -3380.234501 3.0633 MDMin: 135 15:32:59 -3380.239526 2.8784 MDMin: 136 15:32:59 -3380.244485 2.6119 MDMin: 137 15:33:00 -3380.249505 2.2457 MDMin: 138 15:33:00 -3380.254709 2.0996 MDMin: 139 15:33:00 -3380.260380 2.1236 MDMin: 140 15:33:00 -3380.266549 2.4699 MDMin: 141 15:33:00 -3380.273090 2.8085 MDMin: 142 15:33:01 -3380.279770 3.1363 MDMin: 143 15:33:01 -3380.286529 3.1096 MDMin: 144 15:33:01 -3380.293297 2.9649 MDMin: 145 15:33:01 -3380.300132 2.5466 MDMin: 146 15:33:01 -3380.307142 2.2716 MDMin: 147 15:33:02 -3380.314619 2.0486 MDMin: 148 15:33:02 -3380.322877 2.2073 MDMin: 149 15:33:02 -3380.331988 2.4950 MDMin: 150 15:33:02 -3380.341660 2.9784 MDMin: 151 15:33:02 -3380.351645 3.2246 MDMin: 152 15:33:03 -3380.361812 3.3880 MDMin: 153 15:33:03 -3380.372159 3.1702 MDMin: 154 15:33:03 -3380.382743 2.9717 MDMin: 155 15:33:03 -3380.393761 2.6237 MDMin: 156 15:33:03 -3380.405530 2.5737 MDMin: 157 15:33:04 -3380.418394 2.6030 MDMin: 158 15:33:04 -3380.432413 3.0601 MDMin: 159 15:33:04 -3380.447398 4.1661 MDMin: 160 15:33:04 -3380.463120 5.6762 MDMin: 161 15:33:04 -3380.479490 7.5664 MDMin: 162 15:33:05 -3380.496496 9.9354 MDMin: 163 15:33:05 -3380.514262 12.8141 MDMin: 164 15:33:05 -3380.110034 16.4336 MDMin: 165 15:33:05 -3377.890552 20.8207 MDMin: 166 15:33:06 -3374.185049 27.1290 MDMin: 167 15:33:06 -3365.499319 41.4791 MDMin: 168 15:33:06 -3311.902336 148.2263 MDMin: 169 15:33:06 45500039.457142 500246727.7342