{ "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 ] [ 0.333333 0.666667 0.514612 ] [ 0.666667 0.333333 0.014612 ] [ 0.666563 0.833282 0.25 ] [ 0.833282 0.666563 0.75 ] [ 0.833282 0.166718 0.75 ] [ 0.166718 0.833282 0.25 ] [ 0.166718 0.333437 0.25 ] [ 0.333437 0.166718 0.75 ] [ 0.333333 0.666667 0.985388 ] [ 0.666667 0.333333 0.485388 ] ] } "species" { "source-value" [ "As" "As" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.94581755 "source-unit" "angstrom" } "c" { "source-value" 6.6129576 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.3699567125 "source-unit" "eV" } }