{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0.133009 ] [ 0 0 0.866991 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.633009 ] [ 0.5 0.5 0.366991 ] [ 0.5 0.683756 0.16796 ] [ 0.5 0.316244 0.16796 ] [ 0.5 0.683756 0.83204 ] [ 0.5 0.316244 0.83204 ] [ 0 0.183756 0.66796 ] [ 0 0.816244 0.66796 ] [ 0 0.183756 0.33204 ] [ 0 0.816244 0.33204 ] [ 0.5 0.799248 0 ] [ 0.5 0.200752 0 ] [ 0 0.5 0.216167 ] [ 0 0.5 0.783833 ] [ 0 0.299248 0.5 ] [ 0 0.700752 0.5 ] [ 0.5 0 0.716167 ] [ 0.5 0 0.283833 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.5824555 "source-unit" "angstrom" } "b" { "source-value" 7.02031647 "source-unit" "angstrom" } "c" { "source-value" 15.09010518 "source-unit" "angstrom" } }