{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.847234 ] [ 0.666667 0.333333 0.416586 ] [ 0.333333 0.666667 0.583414 ] [ 0.666667 0.333333 0.152766 ] [ 0.666667 0.333333 0.932378 ] [ 0 0 0.5 ] [ 0 0 0.776707 ] [ 0 0 0.223293 ] [ 0.333333 0.666667 0.067622 ] [ 0.333333 0.666667 0.346164 ] [ 0.666667 0.333333 0.653836 ] ] } "species" { "source-value" [ "Ge" "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" 4.41269336049 "source-unit" "angstrom" } "c" { "source-value" 24.67139863 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.7225969608333336 "source-unit" "eV" } }