{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.000836 0.255279 0.25 ] [ 0.500836 0.744721 0.75 ] [ 0.499164 0.255279 0.25 ] [ 0.999164 0.744721 0.75 ] [ 0.75 0.465874 0.75 ] [ 0.25 0.606127 0.60992 ] [ 0.75 0.97787 0.25 ] [ 0.25 0.115969 0.390881 ] [ 0.25 0.606127 0.89008 ] [ 0.25 0.115969 0.109119 ] [ 0.75 0.393873 0.39008 ] [ 0.75 0.884031 0.890881 ] [ 0.25 0.534126 0.25 ] [ 0.25 0.02213 0.75 ] [ 0.75 0.393873 0.10992 ] [ 0.75 0.884031 0.609119 ] ] } "species" { "source-value" [ "Ru" "Ru" "Ru" "Ru" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.70980965 "source-unit" "angstrom" } "b" { "source-value" 6.80210961 "source-unit" "angstrom" } "c" { "source-value" 11.67205282 "source-unit" "angstrom" } }