{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.3688 5.009071 4.786125 4.624143 4.496844 4.391965 4.302778 4.225193 4.156535 4.094962 4.039146 3.988102 3.941079 3.897488 3.856864 3.818826 3.783067 3.749327 3.717392 3.687078 3.658228 3.630707 3.604399 3.5792 3.553725 3.527474 3.500396 3.472438 3.443542 3.413642 3.382665 3.350532 3.317152 3.282425 3.246237 3.208461 3.168951 3.127539 3.084033 3.03821 2.989809 2.938523 2.883986 2.825758 2.763302 2.695957 2.622892 2.543042 2.455019 2.356957 2.246267 2.119209 1.970089 1.7896 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3688e-10 5.009071e-10 4.786125e-10 4.6241430000000004e-10 4.4968440000000005e-10 4.391965e-10 4.302778e-10 4.225193e-10 4.156535e-10 4.094962e-10 4.0391459999999997e-10 3.988102e-10 3.9410790000000005e-10 3.897488e-10 3.856864e-10 3.8188260000000003e-10 3.783067e-10 3.749327e-10 3.717392e-10 3.6870780000000003e-10 3.658228e-10 3.6307070000000004e-10 3.604399e-10 3.5792000000000004e-10 3.553725e-10 3.5274740000000005e-10 3.500396e-10 3.472438e-10 3.443542e-10 3.413642e-10 3.382665e-10 3.350532e-10 3.3171520000000004e-10 3.282425e-10 3.246237e-10 3.208461e-10 3.168951e-10 3.1275390000000003e-10 3.084033e-10 3.03821e-10 2.989809e-10 2.9385230000000003e-10 2.8839860000000003e-10 2.8257580000000003e-10 2.763302e-10 2.695957e-10 2.622892e-10 2.543042e-10 2.455019e-10 2.356957e-10 2.246267e-10 2.1192090000000003e-10 1.970089e-10 1.7896000000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.346143 0.496196 0.665943 0.775311 0.869389 0.951416 1.02353 1.08725 1.14372 1.19382 1.23825 1.27758 1.31227 1.34273 1.36929 1.39225 1.41184 1.4283 1.44181 1.45256 1.4607 1.46636 1.46967 1.47075 1.46959 1.46582 1.45897 1.44848 1.43368 1.41377 1.38775 1.35447 1.31248 1.26001 1.1949 1.11443 1.0152 0.892942 0.742162 0.5558 0.324633 0.03638 -0.325805 -0.78554 -1.37667 -2.14876 -3.17636 -4.57474 -6.52912 -9.35091 -13.59 -20.2789 -31.5229 -52.0446 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.54582226622662e-20 7.94993637084264e-20 1.0669583141758618e-19 1.242185168283174e-19 1.392914741656626e-19 1.524336484413744e-19 1.63987585019802e-19 1.7419665453164999e-19 1.83244145983848e-19 1.91271050920188e-19 1.9838952170505e-19 2.0469088240657198e-19 2.10248833149918e-19 2.1512906317708198e-19 2.1938444431698596e-19 2.2306304186865e-19 2.26201705894656e-19 2.2883888863421995e-19 2.31003429266754e-19 2.32725769148304e-19 2.3402994092838e-19 2.34936772903224e-19 2.3546709336907797e-19 2.3564012844555e-19 2.35454275956006e-19 2.3485025536498795e-19 2.33752764370698e-19 2.3207208108163197e-19 2.29700859663312e-19 2.26510925985018e-19 2.2234206238335e-19 2.17010018545398e-19 2.10282478859232e-19 2.01875858060634e-19 1.9144408599666e-19 1.7855137062286199e-19 1.6265297188368001e-19 1.430650807917228e-19 1.1890746150427078e-19 8.904897731771999e-20 5.2011940722532196e-20 5.828718594492e-21 -5.2199715824037e-20 -1.25857383307236e-19 -2.20566850672878e-19 -3.4426930640738396e-19 -5.089089773172239e-19 -7.329541534625159e-19 -1.0460803504582078e-18 -1.498180950863694e-18 -2.1773580456059997e-18 -3.24903797432226e-18 -5.0505253815918596e-18 -8.33846420458764e-18 ] } }