{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.089291 0.683867 0.75 ] [ 0.316133 0.405425 0.75 ] [ 0.683867 0.594575 0.25 ] [ 0.405425 0.089291 0.25 ] [ 0.910709 0.316133 0.25 ] [ 0.594575 0.910709 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.808742 0.750566 0.75 ] [ 0.249434 0.058176 0.75 ] [ 0.941824 0.191258 0.75 ] [ 0.191258 0.249434 0.25 ] [ 0.750566 0.941824 0.25 ] [ 0.058176 0.808742 0.25 ] [ 0.152621 0.519206 0.009069 ] [ 0.480794 0.633415 0.009069 ] [ 0.366585 0.847379 0.490931 ] [ 0.519206 0.366585 0.509069 ] [ 0.633415 0.152621 0.509069 ] [ 0.480794 0.633415 0.490931 ] [ 0.847379 0.480794 0.990931 ] [ 0.152621 0.519206 0.490931 ] [ 0.847379 0.480794 0.509069 ] [ 0.366585 0.847379 0.009069 ] [ 0.519206 0.366585 0.990931 ] [ 0.633415 0.152621 0.990931 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.60504114192 "source-unit" "angstrom" } "c" { "source-value" 5.65228665 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.866162972307692 "source-unit" "eV" } }