{ "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" [ [ 0.232975 0 0.5 ] [ 0.767024 0.767024 0.5 ] [ 0 0.232975 0.5 ] [ 0.616825 0 0 ] [ 0.383175 0.383175 0 ] [ 0 0.616825 0 ] [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Fe" "Te" "Te" ] } "a" { "source-value" 7.72070334607 "source-unit" "angstrom" } "c" { "source-value" 3.80567949 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.485640065555556 "source-unit" "eV" } }