{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.439893 ] [ 0.666667 0.333333 0.939893 ] [ 0.666667 0.333333 0.560107 ] [ 0.333333 0.666667 0.060107 ] [ 0 0 0.190331 ] [ 0 0 0.690331 ] [ 0 0 0.809669 ] [ 0 0 0.309669 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "I" "I" "I" "I" "I" "I" "I" "I" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.96975738089 "source-unit" "angstrom" } "c" { "source-value" 37.95277868 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.550446643333333 "source-unit" "eV" } }