{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" ] } "a" { "source-value" [ 7.839 7.313758 6.988234 6.751724 6.565855 6.41272 6.282498 6.169215 6.068969 5.979065 5.897568 5.823039 5.75438 5.690734 5.631417 5.575879 5.523666 5.474403 5.427775 5.383513 5.341389 5.301206 5.262793 5.226 5.188804 5.150474 5.110938 5.070117 5.027925 4.984268 4.939039 4.892121 4.843383 4.792678 4.739841 4.684684 4.626994 4.566528 4.503005 4.436098 4.365428 4.290545 4.210916 4.125897 4.034706 3.936375 3.829691 3.713103 3.584581 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.839000000000001e-10 7.313758e-10 6.988234e-10 6.751724000000001e-10 6.565855e-10 6.41272e-10 6.282498e-10 6.169215e-10 6.068969e-10 5.979065000000001e-10 5.897568e-10 5.823038999999999e-10 5.75438e-10 5.690734e-10 5.631417e-10 5.575879e-10 5.523666000000001e-10 5.474403e-10 5.427775e-10 5.383513e-10 5.341389e-10 5.301206e-10 5.262793000000001e-10 5.226e-10 5.188804e-10 5.150474e-10 5.110938e-10 5.070117e-10 5.027924999999999e-10 4.984268e-10 4.939039e-10 4.892121000000001e-10 4.843383000000001e-10 4.792678000000001e-10 4.739841e-10 4.684684e-10 4.626994e-10 4.5665280000000003e-10 4.503005e-10 4.4360980000000007e-10 4.365428e-10 4.290545e-10 4.2109160000000004e-10 4.1258970000000003e-10 4.034706e-10 3.9363750000000003e-10 3.829691e-10 3.713103e-10 3.5845810000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.704444 1.05258 1.36065 1.64257 1.9045 2.14955 2.38052 2.59788 2.80207 2.99398 3.17344 3.34044 3.49513 3.63762 3.76748 3.88457 3.98871 4.07998 4.15783 4.222 4.27224 4.30846 4.33078 4.33829 4.32982 4.30147 4.24802 4.16283 4.03742 3.86093 3.61937 3.29496 2.86303 2.29158 1.53788 0.543453 -0.771618 -2.51877 -4.85717 -8.01551 -12.3311 -18.3125 -26.7477 -38.8925 -56.82 -84.0942 -127.142 -198.228 -322.472 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1286437167614958e-19 1.68641908141572e-19 2.1800016370521e-19 2.6316872737093797e-19 3.051345399453e-19 3.4439587836147e-19 3.81401352076968e-19 4.1622626339359196e-19 4.48941108083238e-19 4.79688479866332e-19 5.084411417400959e-19 5.35197491527896e-19 5.59981561879242e-19 5.828109767371079e-19 6.03616842506232e-19 6.22376728713738e-19 6.39061796180214e-19 6.536848623187319e-19 6.661578074144219e-19 6.7643897487480005e-19 6.84488310284016e-19 6.90291394052364e-19 6.938674522994519e-19 6.950706869515859e-19 6.937136433425879e-19 6.89171472585198e-19 6.80607838476468e-19 6.669588957314219e-19 6.468659985644279e-19 6.18589183150962e-19 5.79887004380058e-19 5.27910792196464e-19 4.58707976844102e-19 3.67151593094172e-19 2.4639554018959197e-19 8.707076982772018e-20 -1.236268329973812e-19 -4.03551444042018e-19 -7.782044281365779e-19 -1.284226283159334e-18 -1.9756600291517397e-18 -2.9339859610124998e-18 -4.28545399532418e-18 -6.2312654737845e-18 -9.103567634388e-18 -1.347337622949228e-17 -2.0370394160002797e-17 -3.17596269804552e-17 -5.1665710351924796e-17 ] } }