{ "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" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.532128 ] [ 0.666667 0.333333 0.032128 ] [ 0.666667 0.333333 0.467872 ] [ 0.333333 0.666667 0.967872 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.167908 0.335816 0.123193 ] [ 0.832092 0.167908 0.623193 ] [ 0.335816 0.167908 0.623193 ] [ 0.664184 0.832092 0.123193 ] [ 0.167908 0.832092 0.123193 ] [ 0.832092 0.664184 0.876807 ] [ 0.832092 0.167908 0.876807 ] [ 0.832092 0.664184 0.623193 ] [ 0.335816 0.167908 0.876807 ] [ 0.664184 0.832092 0.376807 ] [ 0.167908 0.335816 0.376807 ] [ 0.167908 0.832092 0.376807 ] ] } "species" { "source-value" [ "Tb" "Tb" "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.00618498212 "source-unit" "angstrom" } "c" { "source-value" 16.15390783 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.9089060304166665 "source-unit" "eV" } }