{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.585104 0.585104 0.5 ] [ 0 0.414896 0.5 ] [ 0.414896 0 0.5 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.755798 0 0 ] [ 0 0.755798 0 ] [ 0.244202 0.244202 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Si" "Si" "Si" "Ru" "Ru" "Ru" ] } "a" { "source-value" 6.7135378 "source-unit" "angstrom" } "c" { "source-value" 3.72255044 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.687137700000001 "source-unit" "eV" } }