{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.048052 0.701948 0.548052 ] [ 0.951948 0.951948 0.798052 ] [ 0.798052 0.798052 0.798052 ] [ 0.798052 0.951948 0.951948 ] [ 0.701948 0.201948 0.701948 ] [ 0.701948 0.048052 0.548052 ] [ 0.548052 0.048052 0.701948 ] [ 0.451948 0.298052 0.951948 ] [ 0.048052 0.201948 0.048052 ] [ 0.951948 0.451948 0.298052 ] [ 0.798052 0.298052 0.298052 ] [ 0.798052 0.451948 0.451948 ] [ 0.701948 0.701948 0.201948 ] [ 0.701948 0.548052 0.048052 ] [ 0.548052 0.548052 0.201948 ] [ 0.451948 0.798052 0.451948 ] [ 0.548052 0.701948 0.048052 ] [ 0.451948 0.951948 0.298052 ] [ 0.298052 0.798052 0.298052 ] [ 0.298052 0.951948 0.451948 ] [ 0.201948 0.201948 0.201948 ] [ 0.201948 0.048052 0.048052 ] [ 0.048052 0.048052 0.201948 ] [ 0.951948 0.298052 0.451948 ] [ 0.548052 0.201948 0.548052 ] [ 0.451948 0.451948 0.798052 ] [ 0.298052 0.298052 0.798052 ] [ 0.298052 0.451948 0.951948 ] [ 0.201948 0.701948 0.701948 ] [ 0.201948 0.548052 0.548052 ] [ 0.048052 0.548052 0.701948 ] [ 0.951948 0.798052 0.951948 ] [ 0.975868 0.774132 0.475868 ] [ 0.024132 0.024132 0.725868 ] [ 0.725868 0.725868 0.725868 ] [ 0.725868 0.024132 0.024132 ] [ 0.774132 0.274132 0.774132 ] [ 0.774132 0.975868 0.475868 ] [ 0.475868 0.975868 0.774132 ] [ 0.524132 0.225868 0.024132 ] [ 0.975868 0.274132 0.975868 ] [ 0.024132 0.524132 0.225868 ] [ 0.725868 0.225868 0.225868 ] [ 0.725868 0.524132 0.524132 ] [ 0.774132 0.774132 0.274132 ] [ 0.774132 0.475868 0.975868 ] [ 0.475868 0.475868 0.274132 ] [ 0.524132 0.725868 0.524132 ] [ 0.475868 0.774132 0.975868 ] [ 0.524132 0.024132 0.225868 ] [ 0.225868 0.725868 0.225868 ] [ 0.225868 0.024132 0.524132 ] [ 0.274132 0.274132 0.274132 ] [ 0.274132 0.975868 0.975868 ] [ 0.975868 0.975868 0.274132 ] [ 0.024132 0.225868 0.524132 ] [ 0.475868 0.274132 0.475868 ] [ 0.524132 0.524132 0.725868 ] [ 0.225868 0.225868 0.725868 ] [ 0.225868 0.524132 0.024132 ] [ 0.274132 0.774132 0.774132 ] [ 0.274132 0.475868 0.475868 ] [ 0.975868 0.475868 0.774132 ] [ 0.024132 0.725868 0.024132 ] [ 0.125 0.797654 0.625 ] [ 0.547654 0.375 0.875 ] [ 0.702346 0.875 0.875 ] [ 0.875 0.047654 0.875 ] [ 0.375 0.375 0.047654 ] [ 0.875 0.875 0.702346 ] [ 0.125 0.625 0.452346 ] [ 0.952346 0.625 0.625 ] [ 0.797654 0.125 0.625 ] [ 0.625 0.125 0.797654 ] [ 0.375 0.202346 0.875 ] [ 0.625 0.952346 0.625 ] [ 0.125 0.297654 0.125 ] [ 0.547654 0.875 0.375 ] [ 0.702346 0.375 0.375 ] [ 0.875 0.547654 0.375 ] [ 0.375 0.875 0.547654 ] [ 0.875 0.375 0.202346 ] [ 0.125 0.125 0.952346 ] [ 0.952346 0.125 0.125 ] [ 0.797654 0.625 0.125 ] [ 0.625 0.625 0.297654 ] [ 0.375 0.702346 0.375 ] [ 0.625 0.452346 0.125 ] [ 0.625 0.797654 0.125 ] [ 0.047654 0.375 0.375 ] [ 0.202346 0.875 0.375 ] [ 0.375 0.047654 0.375 ] [ 0.875 0.375 0.547654 ] [ 0.375 0.875 0.202346 ] [ 0.625 0.625 0.952346 ] [ 0.452346 0.625 0.125 ] [ 0.297654 0.125 0.125 ] [ 0.125 0.125 0.297654 ] [ 0.875 0.202346 0.375 ] [ 0.125 0.952346 0.125 ] [ 0.625 0.297654 0.625 ] [ 0.047654 0.875 0.875 ] [ 0.202346 0.375 0.875 ] [ 0.375 0.547654 0.875 ] [ 0.875 0.875 0.047654 ] [ 0.375 0.375 0.702346 ] [ 0.625 0.125 0.452346 ] [ 0.452346 0.125 0.625 ] [ 0.297654 0.625 0.625 ] [ 0.125 0.625 0.797654 ] [ 0.875 0.702346 0.875 ] [ 0.125 0.452346 0.625 ] [ 0.895375 0.760047 0.489953 ] [ 0.010047 0.104625 0.739953 ] [ 0.739953 0.645375 0.739953 ] [ 0.739953 0.010047 0.104625 ] [ 0.010047 0.010047 0.645375 ] [ 0.645375 0.010047 0.010047 ] [ 0.645375 0.739953 0.739953 ] [ 0.989953 0.854625 0.489953 ] [ 0.989953 0.760047 0.395375 ] [ 0.760047 0.260047 0.854625 ] [ 0.760047 0.895375 0.489953 ] [ 0.760047 0.354625 0.760047 ] [ 0.489953 0.989953 0.854625 ] [ 0.489953 0.895375 0.760047 ] [ 0.760047 0.989953 0.395375 ] [ 0.739953 0.739953 0.645375 ] [ 0.739953 0.104625 0.010047 ] [ 0.104625 0.010047 0.739953 ] [ 0.604625 0.239953 0.010047 ] [ 0.510047 0.145375 0.010047 ] [ 0.510047 0.239953 0.104625 ] [ 0.854625 0.989953 0.489953 ] [ 0.854625 0.260047 0.760047 ] [ 0.395375 0.989953 0.760047 ] [ 0.895375 0.260047 0.989953 ] [ 0.010047 0.604625 0.239953 ] [ 0.739953 0.145375 0.239953 ] [ 0.739953 0.510047 0.604625 ] [ 0.010047 0.510047 0.145375 ] [ 0.645375 0.510047 0.510047 ] [ 0.645375 0.239953 0.239953 ] [ 0.989953 0.354625 0.989953 ] [ 0.989953 0.260047 0.895375 ] [ 0.760047 0.760047 0.354625 ] [ 0.760047 0.395375 0.989953 ] [ 0.760047 0.854625 0.260047 ] [ 0.489953 0.489953 0.354625 ] [ 0.489953 0.395375 0.260047 ] [ 0.760047 0.489953 0.895375 ] [ 0.739953 0.239953 0.145375 ] [ 0.739953 0.604625 0.510047 ] [ 0.104625 0.510047 0.239953 ] [ 0.604625 0.739953 0.510047 ] [ 0.510047 0.645375 0.510047 ] [ 0.510047 0.739953 0.604625 ] [ 0.854625 0.489953 0.989953 ] [ 0.854625 0.760047 0.260047 ] [ 0.395375 0.489953 0.260047 ] [ 0.395375 0.760047 0.989953 ] [ 0.510047 0.104625 0.239953 ] [ 0.239953 0.645375 0.239953 ] [ 0.239953 0.010047 0.604625 ] [ 0.510047 0.010047 0.145375 ] [ 0.145375 0.010047 0.510047 ] [ 0.145375 0.739953 0.239953 ] [ 0.489953 0.854625 0.989953 ] [ 0.489953 0.760047 0.895375 ] [ 0.260047 0.260047 0.354625 ] [ 0.260047 0.895375 0.989953 ] [ 0.260047 0.354625 0.260047 ] [ 0.989953 0.989953 0.354625 ] [ 0.989953 0.895375 0.260047 ] [ 0.260047 0.989953 0.895375 ] [ 0.239953 0.739953 0.145375 ] [ 0.239953 0.104625 0.510047 ] [ 0.604625 0.010047 0.239953 ] [ 0.104625 0.239953 0.510047 ] [ 0.010047 0.145375 0.510047 ] [ 0.010047 0.239953 0.604625 ] [ 0.354625 0.989953 0.989953 ] [ 0.354625 0.260047 0.260047 ] [ 0.895375 0.989953 0.260047 ] [ 0.395375 0.260047 0.489953 ] [ 0.510047 0.604625 0.739953 ] [ 0.239953 0.145375 0.739953 ] [ 0.239953 0.510047 0.104625 ] [ 0.510047 0.510047 0.645375 ] [ 0.145375 0.510047 0.010047 ] [ 0.145375 0.239953 0.739953 ] [ 0.489953 0.354625 0.489953 ] [ 0.489953 0.260047 0.395375 ] [ 0.260047 0.760047 0.854625 ] [ 0.260047 0.395375 0.489953 ] [ 0.260047 0.854625 0.760047 ] [ 0.989953 0.489953 0.854625 ] [ 0.989953 0.395375 0.760047 ] [ 0.260047 0.489953 0.395375 ] [ 0.239953 0.239953 0.645375 ] [ 0.239953 0.604625 0.010047 ] [ 0.604625 0.510047 0.739953 ] [ 0.104625 0.739953 0.010047 ] [ 0.010047 0.645375 0.010047 ] [ 0.010047 0.739953 0.104625 ] [ 0.354625 0.489953 0.489953 ] [ 0.354625 0.760047 0.760047 ] [ 0.895375 0.489953 0.760047 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 16.4430134711 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.847768380769231 "source-unit" "eV" } }