{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0.851628 ] [ 0.333333 0.666667 0.148372 ] [ 0.333333 0.666667 0.688544 ] [ 0.666667 0.333333 0.311456 ] [ 0 0 0.9132 ] [ 0 0 0.0868 ] [ 0.666667 0.333333 0.659121 ] [ 0.333333 0.666667 0.340879 ] ] } "species" { "source-value" [ "Na" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" ] } "a" { "source-value" 3.82012849709 "source-unit" "angstrom" } "c" { "source-value" 12.15639827 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.178199205555555 "source-unit" "eV" } }