{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.130931 ] [ 0.25 0.5 0.369069 ] [ 0.75 0.5 0.630931 ] [ 0.75 0 0.869069 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.02355 0.312118 0.870013 ] [ 0.02355 0.187882 0.629987 ] [ 0.97645 0.312118 0.129987 ] [ 0.97645 0.187882 0.370013 ] [ 0.47645 0.187882 0.629987 ] [ 0.47645 0.312118 0.870013 ] [ 0.75 0 0.179941 ] [ 0.75 0.5 0.320059 ] [ 0.52355 0.312118 0.129987 ] [ 0.52355 0.187882 0.370013 ] [ 0.52355 0.812118 0.370013 ] [ 0.52355 0.687882 0.129987 ] [ 0.47645 0.812118 0.629987 ] [ 0.47645 0.687882 0.870013 ] [ 0.97645 0.687882 0.129987 ] [ 0.97645 0.812118 0.370013 ] [ 0.25 0.5 0.679941 ] [ 0.25 0 0.820059 ] [ 0.02355 0.812118 0.629987 ] [ 0.02355 0.687882 0.870013 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ni" "Ni" "Ni" "Ni" "Pd" "Pd" "Pd" "Pd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.65372007234 "source-unit" "angstrom" } "b" { "source-value" 7.58855925903 "source-unit" "angstrom" } "c" { "source-value" 10.7273124058 "source-unit" "angstrom" } }