{ "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 0.643266 0.5 ] [ 0.356734 0.356734 0.5 ] [ 0.643266 0 0.5 ] [ 0 0.308786 0 ] [ 0.691214 0.691214 0 ] [ 0.308786 0 0 ] [ 0.666667 0.333333 0.201667 ] [ 0.666667 0.333333 0.798333 ] [ 0.333333 0.666667 0.798333 ] [ 0.333333 0.666667 0.201667 ] [ 0 0 0.696735 ] [ 0 0 0.303265 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" 7.66208255376 "source-unit" "angstrom" } "c" { "source-value" 5.7213727 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.798456743333333 "source-unit" "eV" } }