{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0.380021 0.88869 ] [ 0 0.619979 0.11131 ] [ 0.5 0.380021 0.11131 ] [ 0.5 0.619979 0.88869 ] [ 0.5 0.880021 0.38869 ] [ 0.5 0.119979 0.61131 ] [ 0 0.880021 0.61131 ] [ 0 0.119979 0.38869 ] [ 0.5 0.798189 0.143935 ] [ 0.5 0.201811 0.856065 ] [ 0 0.201811 0.143935 ] [ 0 0.798189 0.856065 ] [ 0 0.298189 0.643935 ] [ 0 0.701811 0.356065 ] [ 0.5 0.701811 0.643935 ] [ 0.5 0.298189 0.356065 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.09937444785 "source-unit" "angstrom" } "b" { "source-value" 5.9501535867 "source-unit" "angstrom" } "c" { "source-value" 10.709412545 "source-unit" "angstrom" } }