{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.750807 0.25 ] [ 0 0.249193 0.75 ] [ 0.5 0.250807 0.25 ] [ 0.5 0.749193 0.75 ] [ 0 0.858353 0.936456 ] [ 0 0.141647 0.063544 ] [ 0 0.141647 0.436456 ] [ 0 0.858353 0.563544 ] [ 0.5 0.085252 0.75 ] [ 0.5 0.914748 0.25 ] [ 0.5 0.358353 0.936456 ] [ 0.5 0.641647 0.063544 ] [ 0.5 0.641647 0.436456 ] [ 0.5 0.358353 0.563544 ] [ 0 0.585252 0.75 ] [ 0 0.414748 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "U" "U" "U" "U" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72007472 "source-unit" "angstrom" } "b" { "source-value" 12.19590532 "source-unit" "angstrom" } "c" { "source-value" 9.14170149 "source-unit" "angstrom" } }