{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_222" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.333333 ] [ 0.5 0 0 ] [ 0 0.5 0.666667 ] [ 0.164277 0.835723 0.333333 ] [ 0.835723 0.671447 0 ] [ 0.328553 0.164277 0.666667 ] [ 0.671447 0.835723 0.666667 ] [ 0.164277 0.328553 0 ] [ 0.835723 0.164277 0.333333 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.00923986 "source-unit" "angstrom" } "c" { "source-value" 6.80766813 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.2564825822222225 "source-unit" "eV" } }