{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.411089 0.411089 0 ] [ 0.588911 0 0 ] [ 0 0.588911 0 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0 0.259976 0.5 ] [ 0.740024 0.740024 0.5 ] [ 0.259976 0 0.5 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ge" "Ge" "Ge" "Pd" "Pd" "Pd" ] } "a" { "source-value" 6.66464121843 "source-unit" "angstrom" } "c" { "source-value" 3.72020063 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.584467945555556 "source-unit" "eV" } }