{ "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" } "basis-atom-coordinates" { "source-value" [ [ 0.228517 0.872224 0.750343 ] [ 0.356293 0.228517 0.250343 ] [ 0.771483 0.127776 0.250343 ] [ 0.127776 0.356293 0.750343 ] [ 0.872224 0.643707 0.250343 ] [ 0.643707 0.771483 0.750343 ] [ 0 0 0.218775 ] [ 0 0 0.718775 ] [ 0.666667 0.333333 0.83229 ] [ 0.333333 0.666667 0.33229 ] [ 0.838375 0.091077 0.731416 ] [ 0.908923 0.747299 0.731416 ] [ 0.161625 0.908923 0.231416 ] [ 0.896193 0.416765 0.987105 ] [ 0.333333 0.666667 0.957041 ] [ 0.666667 0.333333 0.457041 ] [ 0.747299 0.838375 0.231416 ] [ 0.479428 0.896193 0.487105 ] [ 0.416765 0.520572 0.487105 ] [ 0.520572 0.103807 0.987105 ] [ 0.583235 0.479428 0.987105 ] [ 0.091077 0.252701 0.231416 ] [ 0.252701 0.161625 0.731416 ] [ 0.103807 0.583235 0.487105 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.2028321788 "source-unit" "angstrom" } "c" { "source-value" 5.86961337 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.7901878387500005 "source-unit" "eV" } }