{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.597496 ] [ 0.333333 0.666667 0.402504 ] [ 0 0 0 ] [ 0.748637 0.748637 0.5 ] [ 0 0.251363 0.5 ] [ 0.251363 0 0.5 ] [ 0.625578 0 0 ] [ 0 0.625578 0 ] [ 0.374422 0.374422 0 ] ] } "species" { "source-value" [ "Na" "Na" "Th" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.07842568764 "source-unit" "angstrom" } "c" { "source-value" 3.86901669 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.9285484422222225 "source-unit" "eV" } }