{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.571253 ] [ 0.333333 0.666667 0.928747 ] [ 0.666667 0.333333 0.428747 ] [ 0.666667 0.333333 0.071253 ] [ 0.666117 0 0.5 ] [ 0.333883 0.333883 0 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666117 0 0 ] [ 0.333883 0.333883 0.5 ] [ 0 0.666117 0.5 ] [ 0 0.666117 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Be" "Be" "Be" "Be" "Be" "Be" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.62219190649 "source-unit" "angstrom" } "c" { "source-value" 8.98741167 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.8567035325 "source-unit" "eV" } }