{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.331056 ] [ 0.333333 0.666667 0.168944 ] [ 0.666667 0.333333 0.668944 ] [ 0.666667 0.333333 0.831056 ] [ 0.350102 0.343145 0.127323 ] [ 0.649898 0.993043 0.627323 ] [ 0.993043 0.649898 0.127323 ] [ 0.656855 0.006957 0.127323 ] [ 0.350102 0.006957 0.372677 ] [ 0.656855 0.649898 0.372677 ] [ 0.993043 0.343145 0.372677 ] [ 0.343145 0.350102 0.627323 ] [ 0.649898 0.656855 0.872677 ] [ 0.343145 0.993043 0.872677 ] [ 0.006957 0.350102 0.872677 ] [ 0.006957 0.656855 0.627323 ] ] } "species" { "source-value" [ "In" "In" "Cu" "Cu" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 6.45003391067 "source-unit" "angstrom" } "c" { "source-value" 13.98890993 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.058627872000001 "source-unit" "eV" } }