{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0 0.25 0.5 ] [ 0 0.5 0.25 ] [ 0.25 0 0.5 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0 0.5 0.75 ] [ 0.75 0 0.5 ] [ 0.307263 0.115229 0 ] [ 0.384771 0.807263 0.5 ] [ 0.817095 0.182905 0.182905 ] [ 0.182905 0.817095 0.182905 ] [ 0 0.692737 0.115229 ] [ 0.615229 0.807263 0.5 ] [ 0.884771 0 0.307263 ] [ 0.817095 0.817095 0.182905 ] [ 0 0.307263 0.115229 ] [ 0.817095 0.182905 0.817095 ] [ 0.682905 0.317095 0.682905 ] [ 0.192737 0.5 0.615229 ] [ 0 0.307263 0.884771 ] [ 0.115229 0 0.307263 ] [ 0.317095 0.682905 0.317095 ] [ 0.884771 0 0.692737 ] [ 0.807263 0.5 0.384771 ] [ 0.682905 0.682905 0.317095 ] [ 0 0.692737 0.884771 ] [ 0.615229 0.192737 0.5 ] [ 0.182905 0.182905 0.182905 ] [ 0.817095 0.817095 0.817095 ] [ 0.5 0.384771 0.192737 ] [ 0.692737 0.884771 0 ] [ 0.807263 0.5 0.615229 ] [ 0.115229 0 0.692737 ] [ 0.307263 0.884771 0 ] [ 0.5 0.615229 0.807263 ] [ 0.192737 0.5 0.384771 ] [ 0.682905 0.682905 0.682905 ] [ 0.182905 0.182905 0.817095 ] [ 0.182905 0.817095 0.817095 ] [ 0.317095 0.317095 0.317095 ] [ 0.317095 0.317095 0.682905 ] [ 0.384771 0.192737 0.5 ] [ 0.682905 0.317095 0.317095 ] [ 0.5 0.384771 0.807263 ] [ 0.5 0.615229 0.192737 ] [ 0.317095 0.682905 0.682905 ] [ 0.692737 0.115229 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 11.01999436 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.28269863 "source-unit" "eV" } }