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 LennardJones612_UniversalShifted__MO_959249795837_002 bcc [4.865031167860001] 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 20:59:51 -3370.609794 9.5595 MDMin: 1 20:59:51 -3373.568268 4.3977 MDMin: 2 20:59:52 -3373.822670 5.7187 MDMin: 3 20:59:52 -3374.438291 4.3270 MDMin: 4 20:59:52 -3375.262491 3.0920 MDMin: 5 20:59:52 -3375.702870 1.7801 MDMin: 6 20:59:52 -3375.903831 1.5862 MDMin: 7 20:59:53 -3375.907363 1.5954 MDMin: 8 20:59:53 -3375.804663 2.0925 MDMin: 9 20:59:53 -3375.827840 1.9604 MDMin: 10 20:59:53 -3376.019429 1.5912 MDMin: 11 20:59:53 -3376.179249 1.0568 MDMin: 12 20:59:53 -3376.250058 0.9499 MDMin: 13 20:59:54 -3376.240126 1.2978 MDMin: 14 20:59:54 -3376.169911 2.4112 MDMin: 15 20:59:54 -3376.045559 2.9711 MDMin: 16 20:59:54 -3375.867955 3.3058 MDMin: 17 20:59:54 -3375.687816 3.1339 MDMin: 18 20:59:54 -3375.506303 4.8012 MDMin: 19 20:59:55 -3375.700275 2.5123 MDMin: 20 20:59:55 -3375.634911 3.4269 MDMin: 21 20:59:55 -3376.044587 2.2309 MDMin: 22 20:59:55 -3376.147625 2.2078 MDMin: 23 20:59:55 -3376.337666 2.1142 MDMin: 24 20:59:56 -3376.368191 2.1519 MDMin: 25 20:59:56 -3376.386337 2.3163 MDMin: 26 20:59:56 -3376.397584 2.5270 MDMin: 27 20:59:56 -3376.409995 2.7267 MDMin: 28 20:59:56 -3376.425943 2.7805 MDMin: 29 20:59:56 -3376.443673 2.7271 MDMin: 30 20:59:57 -3376.459748 2.5362 MDMin: 31 20:59:57 -3376.471551 2.4246 MDMin: 32 20:59:57 -3376.479280 2.3809 MDMin: 33 20:59:57 -3376.484629 2.5792 MDMin: 34 20:59:57 -3376.490361 2.8041 MDMin: 35 20:59:58 -3376.499643 3.1230 MDMin: 36 20:59:58 -3376.512736 3.2193 MDMin: 37 20:59:58 -3376.528256 3.2967 MDMin: 38 20:59:58 -3376.544397 3.1690 MDMin: 39 20:59:58 -3376.560762 3.1565 MDMin: 40 20:59:59 -3376.577629 3.1378 MDMin: 41 20:59:59 -3376.597990 3.4031 MDMin: 42 20:59:59 -3376.625367 3.6221 MDMin: 43 20:59:59 -3376.644798 4.0253 MDMin: 44 20:59:59 -3376.603183 4.1002 MDMin: 45 20:59:59 -3376.653711 4.2049 MDMin: 46 20:59:59 -3376.701035 3.9901 MDMin: 47 20:59:59 -3376.818129 4.0331 MDMin: 48 21:00:00 -3376.850309 4.0390 MDMin: 49 21:00:00 -3376.792326 4.3950 MDMin: 50 21:00:00 -3376.680444 4.5167 MDMin: 51 21:00:00 -3376.674691 4.8475 MDMin: 52 21:00:00 -3376.735751 4.7056 MDMin: 53 21:00:01 -3376.959902 4.7077 MDMin: 54 21:00:01 -3377.048911 4.2669 MDMin: 55 21:00:01 -3377.386160 4.1218 MDMin: 56 21:00:01 -3377.483827 3.9201 MDMin: 57 21:00:01 -3377.597271 3.9900 MDMin: 58 21:00:01 -3377.734156 4.0833 MDMin: 59 21:00:02 -3377.878574 4.3670 MDMin: 60 21:00:02 -3377.933728 4.2388 MDMin: 61 21:00:02 -3378.196631 4.0775 MDMin: 62 21:00:02 -3378.349957 3.6302 MDMin: 63 21:00:02 -3378.506206 3.3625 MDMin: 64 21:00:02 -3378.670650 3.0625 MDMin: 65 21:00:02 -3378.857606 3.0990 MDMin: 66 21:00:03 -3379.075250 3.1700 MDMin: 67 21:00:03 -3379.314883 3.3465 MDMin: 68 21:00:03 -3379.394955 3.5109 MDMin: 69 21:00:03 -3379.566209 3.2346 MDMin: 70 21:00:03 -3379.621214 2.9506 MDMin: 71 21:00:03 -3379.898656 2.4027 MDMin: 72 21:00:04 -3380.044793 2.3173 MDMin: 73 21:00:04 -3380.160575 2.2754 MDMin: 74 21:00:04 -3380.116893 2.6324 MDMin: 75 21:00:04 -3380.070681 2.7230 MDMin: 76 21:00:04 -3380.054602 2.9929 MDMin: 77 21:00:04 -3380.108768 2.7442 MDMin: 78 21:00:04 -3380.199944 2.5826 MDMin: 79 21:00:05 -3380.289569 2.1611 MDMin: 80 21:00:05 -3380.330203 2.0543 MDMin: 81 21:00:05 -3380.319078 2.0397 MDMin: 82 21:00:05 -3380.267435 2.3524 MDMin: 83 21:00:05 -3380.204030 2.5352 MDMin: 84 21:00:05 -3380.161341 2.7964 MDMin: 85 21:00:06 -3380.169181 2.6416 MDMin: 86 21:00:06 -3380.213931 2.4781 MDMin: 87 21:00:06 -3380.262315 2.1454 MDMin: 88 21:00:06 -3380.277812 2.0093 MDMin: 89 21:00:06 -3380.252665 2.3205 MDMin: 90 21:00:06 -3380.195348 2.4286 MDMin: 91 21:00:06 -3380.124400 3.0366 MDMin: 92 21:00:07 -3380.060940 2.8710 MDMin: 93 21:00:07 -3380.036252 3.2538 MDMin: 94 21:00:07 -3380.061747 2.8483 MDMin: 95 21:00:07 -3380.117229 2.9136 MDMin: 96 21:00:07 -3380.162784 2.5464 MDMin: 97 21:00:07 -3380.177846 2.7572 MDMin: 98 21:00:07 -3380.164182 2.7612 MDMin: 99 21:00:07 -3380.135174 3.3776 MDMin: 100 21:00:08 -3380.110100 3.4163 MDMin: 101 21:00:08 -3380.104372 3.8317 MDMin: 102 21:00:08 -3380.121373 3.4351 MDMin: 103 21:00:08 -3380.148449 3.3375 MDMin: 104 21:00:08 -3380.170501 2.7803 MDMin: 105 21:00:08 -3380.179559 2.7324 MDMin: 106 21:00:08 -3380.178033 2.5436 MDMin: 107 21:00:09 -3380.170958 2.8323 MDMin: 108 21:00:09 -3380.164776 2.8430 MDMin: 109 21:00:09 -3380.163248 3.2323 MDMin: 110 21:00:09 -3380.167439 2.9608 MDMin: 111 21:00:09 -3380.173914 3.0481 MDMin: 112 21:00:09 -3380.179216 2.6629 MDMin: 113 21:00:09 -3380.181343 2.8733 MDMin: 114 21:00:10 -3380.181014 2.9171 MDMin: 115 21:00:10 -3380.179673 3.5805 MDMin: 116 21:00:10 -3380.179275 3.6925 MDMin: 117 21:00:10 -3380.180979 4.0745 MDMin: 118 21:00:10 -3380.184674 3.6196 MDMin: 119 21:00:10 -3380.189124 3.4117 MDMin: 120 21:00:10 -3380.193097 2.7842 MDMin: 121 21:00:11 -3380.196363 2.6789 MDMin: 122 21:00:11 -3380.199203 2.5618 MDMin: 123 21:00:11 -3380.202097 2.9568 MDMin: 124 21:00:11 -3380.205138 3.0803 MDMin: 125 21:00:11 -3380.208524 3.3806 MDMin: 126 21:00:11 -3380.212083 3.1142 MDMin: 127 21:00:12 -3380.215804 2.9242 MDMin: 128 21:00:12 -3380.219439 2.3783 MDMin: 129 21:00:12 -3380.223127 2.1306 MDMin: 130 21:00:12 -3380.226922 2.0750 MDMin: 131 21:00:12 -3380.231038 2.3166 MDMin: 132 21:00:12 -3380.235351 2.6956 MDMin: 133 21:00:12 -3380.239823 2.9506 MDMin: 134 21:00:12 -3380.244293 3.0418 MDMin: 135 21:00:13 -3380.248820 2.8548 MDMin: 136 21:00:13 -3380.253311 2.6065 MDMin: 137 21:00:13 -3380.257896 2.2746 MDMin: 138 21:00:13 -3380.262657 2.1645 MDMin: 139 21:00:13 -3380.267846 2.2084 MDMin: 140 21:00:13 -3380.273475 2.5498 MDMin: 141 21:00:13 -3380.279450 2.8598 MDMin: 142 21:00:14 -3380.285570 3.1564 MDMin: 143 21:00:14 -3380.291799 3.1134 MDMin: 144 21:00:14 -3380.298070 2.9795 MDMin: 145 21:00:14 -3380.304451 2.5983 MDMin: 146 21:00:14 -3380.311033 2.3684 MDMin: 147 21:00:15 -3380.318088 2.1932 MDMin: 148 21:00:15 -3380.325855 2.3899 MDMin: 149 21:00:15 -3380.334369 2.6837 MDMin: 150 21:00:15 -3380.343390 3.1560 MDMin: 151 21:00:15 -3380.352731 3.3739 MDMin: 152 21:00:16 -3380.362281 3.5226 MDMin: 153 21:00:16 -3380.372051 3.3018 MDMin: 154 21:00:16 -3380.382100 3.1348 MDMin: 155 21:00:16 -3380.392629 2.8296 MDMin: 156 21:00:16 -3380.403929 2.8544 MDMin: 157 21:00:16 -3380.416275 2.9494 MDMin: 158 21:00:16 -3380.429668 3.3950 MDMin: 159 21:00:17 -3380.443911 3.7365 MDMin: 160 21:00:17 -3380.458803 4.4613 MDMin: 161 21:00:17 -3380.474282 5.8521 MDMin: 162 21:00:17 -3380.490356 7.5338 MDMin: 163 21:00:18 -3380.507134 9.5228 MDMin: 164 21:00:18 -3380.524765 12.0556 MDMin: 165 21:00:18 -3380.442977 15.2465 MDMin: 166 21:00:18 -3378.649696 19.2195 MDMin: 167 21:00:18 -3375.519508 24.6886 MDMin: 168 21:00:19 -3369.342036 34.5513 MDMin: 169 21:00:19 -3347.834681 69.7436 MDMin: 170 21:00:19 -1802.270120 6218.9445 MDMin: 171 21:00:19 133785773.701372 1571197917.6712