{ "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 0.207793 0.25 ] [ 0 0.792207 0.75 ] [ 0.5 0.083963 0.25 ] [ 0.5 0.916037 0.75 ] [ 0.5 0.707793 0.25 ] [ 0.5 0.292207 0.75 ] [ 0 0.583963 0.25 ] [ 0 0.416037 0.75 ] [ 0.16901 0.100285 0.75 ] [ 0.83099 0.899715 0.25 ] [ 0.16901 0.899715 0.25 ] [ 0.83099 0.100285 0.75 ] [ 0.66901 0.600285 0.75 ] [ 0.33099 0.399715 0.25 ] [ 0.66901 0.399715 0.25 ] [ 0.33099 0.600285 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "As" "As" "As" "As" "As" "As" "As" "As" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.19028163 "source-unit" "angstrom" } "b" { "source-value" 15.32258951 "source-unit" "angstrom" } "c" { "source-value" 6.47876127 "source-unit" "angstrom" } }