{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I23" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.821602 0.317485 0.014432 ] [ 0.682515 0.985568 0.821602 ] [ 0.821602 0.682515 0.985568 ] [ 0.985568 0.178398 0.317485 ] [ 0.317485 0.014432 0.821602 ] [ 0.014432 0.821602 0.317485 ] [ 0.014432 0.178398 0.682515 ] [ 0.682515 0.014432 0.178398 ] [ 0.985568 0.821602 0.682515 ] [ 0.178398 0.317485 0.985568 ] [ 0.317485 0.985568 0.178398 ] [ 0.178398 0.682515 0.014432 ] [ 0.321602 0.817485 0.514432 ] [ 0.182515 0.485568 0.321602 ] [ 0.321602 0.182515 0.485568 ] [ 0.485568 0.678398 0.817485 ] [ 0.817485 0.514432 0.321602 ] [ 0.514432 0.321602 0.817485 ] [ 0.514432 0.678398 0.182515 ] [ 0.182515 0.514432 0.678398 ] [ 0.485568 0.321602 0.182515 ] [ 0.678398 0.817485 0.485568 ] [ 0.817485 0.485568 0.678398 ] [ 0.678398 0.182515 0.514432 ] [ 0.8043 0.1957 0.1957 ] [ 0.630462 0.246471 0.988289 ] [ 0.511711 0.869538 0.746471 ] [ 0.753529 0.988289 0.369538 ] [ 0.102112 0.897888 0.897888 ] [ 0.369538 0.753529 0.988289 ] [ 0.511711 0.130462 0.253529 ] [ 0.246471 0.988289 0.630462 ] [ 0.897888 0.102112 0.897888 ] [ 0.897888 0.897888 0.102112 ] [ 0.102112 0.102112 0.102112 ] [ 0.1957 0.8043 0.1957 ] [ 0.1957 0.1957 0.8043 ] [ 0.8043 0.8043 0.8043 ] [ 0.253529 0.511711 0.130462 ] [ 0.988289 0.630462 0.246471 ] [ 0.869538 0.746471 0.511711 ] [ 0.988289 0.369538 0.753529 ] [ 0.746471 0.511711 0.869538 ] [ 0.130462 0.253529 0.511711 ] [ 0.3043 0.6957 0.6957 ] [ 0.130462 0.746471 0.488289 ] [ 0.011711 0.369538 0.246471 ] [ 0.253529 0.488289 0.869538 ] [ 0.602112 0.397888 0.397888 ] [ 0.869538 0.253529 0.488289 ] [ 0.011711 0.630462 0.753529 ] [ 0.746471 0.488289 0.130462 ] [ 0.397888 0.602112 0.397888 ] [ 0.397888 0.397888 0.602112 ] [ 0.602112 0.602112 0.602112 ] [ 0.6957 0.3043 0.6957 ] [ 0.6957 0.6957 0.3043 ] [ 0.3043 0.3043 0.3043 ] [ 0.753529 0.011711 0.630462 ] [ 0.488289 0.130462 0.746471 ] [ 0.369538 0.246471 0.011711 ] [ 0.488289 0.869538 0.253529 ] [ 0.246471 0.011711 0.369538 ] [ 0.630462 0.753529 0.011711 ] ] } "species" { "source-value" [ "Co" "Co" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 10.27830802 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.7440421884848485 "source-unit" "eV" } }