{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1435 7.597855 7.259687 7.013989 6.820901 6.661817 6.526537 6.408854 6.304713 6.211317 6.126655 6.049231 5.977905 5.911786 5.850165 5.79247 5.738229 5.687053 5.638613 5.592631 5.548871 5.507127 5.467222 5.429 5.39036 5.35054 5.309468 5.267062 5.223231 5.177878 5.130892 5.082151 5.03152 4.978846 4.923956 4.866657 4.806726 4.743911 4.67792 4.608415 4.535 4.457208 4.374486 4.286164 4.191431 4.08928 3.978453 3.857336 3.723821 3.575078 3.407181 3.214458 2.988269 2.7145 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1435e-10 7.597855e-10 7.259687e-10 7.013988999999999e-10 6.820901e-10 6.661817e-10 6.526537000000001e-10 6.408854e-10 6.304713e-10 6.211317e-10 6.126655e-10 6.049231e-10 5.977905e-10 5.911786000000001e-10 5.850165e-10 5.79247e-10 5.738229e-10 5.687052999999999e-10 5.638613000000001e-10 5.592631e-10 5.548871e-10 5.507127e-10 5.467222e-10 5.429000000000001e-10 5.39036e-10 5.35054e-10 5.309468e-10 5.267062000000001e-10 5.223231000000001e-10 5.177877999999999e-10 5.130892000000001e-10 5.082151e-10 5.031520000000001e-10 4.978846e-10 4.923956e-10 4.866657e-10 4.806726000000001e-10 4.743911e-10 4.67792e-10 4.608415e-10 4.5350000000000004e-10 4.457208e-10 4.3744860000000004e-10 4.2861640000000006e-10 4.1914309999999997e-10 4.08928e-10 3.9784530000000003e-10 3.8573360000000003e-10 3.723821e-10 3.575078e-10 3.407181e-10 3.214458e-10 2.988269e-10 2.7145000000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 3.89498e-06 0.215258 1.17645 2.24054 2.97206 3.39286 3.63242 3.79263 3.92387 4.03913 4.14052 4.22949 4.30723 4.37474 4.43286 4.48233 4.52375 4.55768 4.5846 4.60494 4.61906 4.62731 4.63 4.62711 4.61776 4.60081 4.57487 4.53832 4.48918 4.42508 4.34314 4.23986 4.11094 3.95104 3.75355 3.51015 3.21031 2.84058 2.38325 1.80843 1.05696 0.0330578 -1.37791 -3.27335 -5.72018 -8.80638 -12.8059 -18.4527 -26.9664 -39.802 -59.6771 -94.0823 -161.564 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 6.24044594589732e-25 3.44881337881572e-20 1.8848807010692998e-19 3.58974083554236e-19 4.761765086846039e-19 5.43596101443324e-19 5.81977844887428e-19 6.07646316740742e-19 6.286732828853579e-19 6.47139970768842e-19 6.63384439660968e-19 6.776390051736659e-19 6.900943263263819e-19 7.00910620782516e-19 7.102224713793239e-19 7.18148439187722e-19 7.247846548057499e-19 7.302208401249121e-19 7.345338996236399e-19 7.377927268971959e-19 7.400550003044039e-19 7.413767960274539e-19 7.418077815419999e-19 7.413447524947739e-19 7.398467173419839e-19 7.371310279473539e-19 7.32974981758758e-19 7.271190261614879e-19 7.19245930182012e-19 7.08975977958072e-19 6.95847742619076e-19 6.79300462343124e-19 6.58645201177596e-19 6.330263967999359e-19 6.0138501045507e-19 5.6238803118351e-19 5.14348366989654e-19 4.55111090300772e-19 3.8183874629804994e-19 2.8974242902246196e-19 1.6934366150726398e-19 5.296443473144519e-21 -2.20765520575494e-19 -5.2444848849039e-19 -9.16473873827412e-19 -1.410937626612492e-18 -2.0517313757340597e-18 -2.9564484774211798e-18 -4.32049359830976e-18 -6.3769834386467995e-18 -9.56132552048814e-18 -1.507364627329782e-17 -2.5885406569557598e-17 ] } }