{ "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" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.971483 0.820533 0.25 ] [ 0.84905 0.028517 0.25 ] [ 0.15095 0.971483 0.75 ] [ 0.028517 0.179467 0.75 ] [ 0.179467 0.15095 0.25 ] [ 0.820533 0.84905 0.75 ] [ 0.944951 0.663693 0.75 ] [ 0.055049 0.336307 0.25 ] [ 0.281258 0.944951 0.25 ] [ 0.663693 0.718742 0.25 ] [ 0.336307 0.281258 0.75 ] [ 0.718742 0.055049 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 9.23467262 "source-unit" "angstrom" } "c" { "source-value" 4.45907828 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.365857507142857 "source-unit" "eV" } }