{ "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" [ [ 0.333333 0.666667 0.063394 ] [ 0.666667 0.333333 0.563394 ] [ 0.666667 0.333333 0.936606 ] [ 0.333333 0.666667 0.436606 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.828145 0.656289 0.25 ] [ 0.171855 0.828145 0.75 ] [ 0.656289 0.828145 0.75 ] [ 0.343711 0.171855 0.25 ] [ 0.828145 0.171855 0.25 ] [ 0.171855 0.343711 0.75 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.80771591961 "source-unit" "angstrom" } "c" { "source-value" 7.90994546 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 10.283017228333334 "source-unit" "eV" } }