{ "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 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.290674 ] [ 0.333333 0.666667 0.709326 ] [ 0.324549 0.162275 0.358433 ] [ 0.162275 0.324549 0.641567 ] [ 0.837725 0.162275 0.358433 ] [ 0.837725 0.675451 0.358433 ] [ 0.675451 0.837725 0.641567 ] [ 0.162275 0.837725 0.641567 ] [ 0.333333 0.666667 0.9217 ] [ 0.666667 0.333333 0.0783 ] ] } "species" { "source-value" [ "Cs" "V" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.80785317532 "source-unit" "angstrom" } "c" { "source-value" 8.27332821 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.983478626666667 "source-unit" "eV" } }