{ "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 0.047536 0.75 ] [ 0 0.952464 0.25 ] [ 0.5 0.547536 0.75 ] [ 0.5 0.452464 0.25 ] [ 0 0.231164 0.25 ] [ 0 0.768836 0.75 ] [ 0.5 0.731164 0.25 ] [ 0.5 0.268836 0.75 ] [ 0.5 0.835992 0.943156 ] [ 0.5 0.835992 0.556844 ] [ 0.5 0.164008 0.056844 ] [ 0.5 0.164008 0.443156 ] [ 0 0.335992 0.943156 ] [ 0 0.335992 0.556844 ] [ 0 0.664008 0.056844 ] [ 0 0.664008 0.443156 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Si" "Si" "Si" "Si" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.80916414 "source-unit" "angstrom" } "b" { "source-value" 11.1325613 "source-unit" "angstrom" } "c" { "source-value" 7.15535077 "source-unit" "angstrom" } }