{ "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 0.439078 ] [ 0.666667 0.333333 0.939078 ] [ 0.666667 0.333333 0.560922 ] [ 0.333333 0.666667 0.060922 ] [ 0.160513 0.839487 0.75 ] [ 0.321027 0.160513 0.25 ] [ 0.839487 0.678973 0.25 ] [ 0.160513 0.321027 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.839487 0.160513 0.25 ] [ 0.678973 0.839487 0.75 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.30848154036 "source-unit" "angstrom" } "c" { "source-value" 8.53006908 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.502382100833334 "source-unit" "eV" } }