{ "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 ] [ 0.823158 0.646316 0.75 ] [ 0.176842 0.823158 0.25 ] [ 0.333333 0.666667 0.502649 ] [ 0.666667 0.333333 0.002649 ] [ 0.666667 0.333333 0.497351 ] [ 0.333333 0.666667 0.997351 ] [ 0.176842 0.353684 0.25 ] [ 0.823158 0.176842 0.75 ] [ 0.353684 0.176842 0.75 ] [ 0.646316 0.823158 0.25 ] ] } "species" { "source-value" [ "P" "P" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.75528826 "source-unit" "angstrom" } "c" { "source-value" 6.37820778 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.027201285833333 "source-unit" "eV" } }