{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.29249 0 0 ] [ 0.29249 0.29249 0 ] [ 0 0.70751 0 ] [ 0 0.29249 0 ] [ 0.70751 0.70751 0 ] [ 0.70751 0 0 ] [ 0.182081 0.364162 0.5 ] [ 0.817919 0.182081 0.5 ] [ 0.364162 0.182081 0.5 ] [ 0.635838 0.817919 0.5 ] [ 0.182081 0.817919 0.5 ] [ 0.817919 0.635838 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 9.02417712627 "source-unit" "angstrom" } "c" { "source-value" 4.08771738 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.2084235833333334 "source-unit" "eV" } }