{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.147008 0.852992 0.758793 ] [ 0.147008 0.294017 0.758793 ] [ 0.294017 0.147008 0.258793 ] [ 0.705983 0.852992 0.758793 ] [ 0.852992 0.705983 0.258793 ] [ 0.852992 0.147008 0.258793 ] [ 0.17049 0.82951 0.127658 ] [ 0.000903 0.500452 0.373544 ] [ 0.333333 0.666667 0.641277 ] [ 0.17049 0.34098 0.127658 ] [ 0.499548 0.999097 0.373544 ] [ 0.499548 0.500452 0.373544 ] [ 0.65902 0.82951 0.127658 ] [ 0.34098 0.17049 0.627658 ] [ 0.500452 0.499548 0.873544 ] [ 0.500452 0.000903 0.873544 ] [ 0.666667 0.333333 0.141277 ] [ 0.82951 0.65902 0.627658 ] [ 0.999097 0.499548 0.873544 ] [ 0.82951 0.17049 0.627658 ] [ 0 0 0.296204 ] [ 0 0 0.796204 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "O" "O" ] } "a" { "source-value" 8.3853864 "source-unit" "angstrom" } "c" { "source-value" 14.89043417 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.899760076363636 "source-unit" "eV" } }