{ "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" [ [ 0.5 0.75964 0.75 ] [ 0.5 0.24036 0.25 ] [ 0 0.25964 0.75 ] [ 0 0.74036 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.034381 0.75 ] [ 0.5 0.965619 0.25 ] [ 0 0.534381 0.75 ] [ 0 0.465619 0.25 ] [ 0 0.949598 0.75 ] [ 0 0.050402 0.25 ] [ 0.5 0.887778 0.437841 ] [ 0.5 0.112222 0.562159 ] [ 0.5 0.112222 0.937841 ] [ 0.5 0.887778 0.062159 ] [ 0.5 0.449598 0.75 ] [ 0.5 0.550402 0.25 ] [ 0 0.387778 0.437841 ] [ 0 0.612222 0.562159 ] [ 0 0.612222 0.937841 ] [ 0 0.387778 0.062159 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.0649007 "source-unit" "angstrom" } "b" { "source-value" 15.40656134 "source-unit" "angstrom" } "c" { "source-value" 10.48833522 "source-unit" "angstrom" } }