{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.853531 0.707062 0.75 ] [ 0.146469 0.853531 0.25 ] [ 0.707062 0.853531 0.25 ] [ 0.292938 0.146469 0.75 ] [ 0.146469 0.292938 0.25 ] [ 0.853531 0.146469 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ni" "Ni" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.71772370172 "source-unit" "angstrom" } "c" { "source-value" 4.82396122 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.38866595 "source-unit" "eV" } }