{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pn3" } "basis-atom-coordinates" { "source-value" [ [ 0.117634 0.382366 0.117634 ] [ 0.382366 0.382366 0.382366 ] [ 0.617634 0.882366 0.882366 ] [ 0.882366 0.617634 0.882366 ] [ 0.117634 0.117634 0.382366 ] [ 0.382366 0.117634 0.117634 ] [ 0.5 0 0.5 ] [ 0.882366 0.882366 0.617634 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.617634 0.617634 0.617634 ] [ 0.75 0.407831 0.25 ] [ 0.25 0.75 0.092169 ] [ 0.75 0.25 0.907831 ] [ 0.75 0.25 0.592169 ] [ 0.407831 0.25 0.75 ] [ 0.907831 0.75 0.25 ] [ 0.25 0.75 0.407831 ] [ 0.092169 0.25 0.75 ] [ 0.25 0.592169 0.75 ] [ 0.592169 0.75 0.25 ] [ 0.25 0.907831 0.75 ] [ 0.75 0.092169 0.25 ] [ 0.147059 0.352941 0.352941 ] [ 0.75 0.105283 0.75 ] [ 0.081385 0.461677 0.744675 ] [ 0.852941 0.852941 0.852941 ] [ 0.581385 0.961677 0.255325 ] [ 0.25 0.25 0.894717 ] [ 0.147059 0.147059 0.147059 ] [ 0.081385 0.038323 0.755325 ] [ 0.961677 0.255325 0.581385 ] [ 0.647059 0.647059 0.852941 ] [ 0.418615 0.038323 0.744675 ] [ 0.418615 0.461677 0.755325 ] [ 0.852941 0.647059 0.647059 ] [ 0.755325 0.418615 0.461677 ] [ 0.918615 0.961677 0.244675 ] [ 0.538323 0.244675 0.581385 ] [ 0.744675 0.418615 0.038323 ] [ 0.647059 0.852941 0.647059 ] [ 0.105283 0.75 0.75 ] [ 0.461677 0.755325 0.418615 ] [ 0.961677 0.244675 0.918615 ] [ 0.255325 0.918615 0.538323 ] [ 0.244675 0.581385 0.538323 ] [ 0.538323 0.255325 0.918615 ] [ 0.038323 0.744675 0.418615 ] [ 0.581385 0.538323 0.244675 ] [ 0.755325 0.081385 0.038323 ] [ 0.038323 0.755325 0.081385 ] [ 0.605283 0.25 0.25 ] [ 0.75 0.394717 0.75 ] [ 0.352941 0.147059 0.352941 ] [ 0.25 0.894717 0.25 ] [ 0.744675 0.081385 0.461677 ] [ 0.461677 0.744675 0.081385 ] [ 0.352941 0.352941 0.147059 ] [ 0.918615 0.538323 0.255325 ] [ 0.75 0.75 0.105283 ] [ 0.25 0.25 0.605283 ] [ 0.244675 0.918615 0.961677 ] [ 0.394717 0.75 0.75 ] [ 0.894717 0.25 0.25 ] [ 0.255325 0.581385 0.961677 ] [ 0.75 0.75 0.394717 ] [ 0.25 0.605283 0.25 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "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" "O" "O" "O" "O" ] } "a" { "source-value" 9.52071152 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.832176948088235 "source-unit" "eV" } }