{ "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 0.105592 0.25 ] [ 0.5 0.894408 0.75 ] [ 0 0.605592 0.25 ] [ 0 0.394408 0.75 ] [ 0 0.962461 0.25 ] [ 0 0.037539 0.75 ] [ 0.5 0.249737 0.75 ] [ 0.5 0.750263 0.25 ] [ 0.5 0.462461 0.25 ] [ 0.5 0.537539 0.75 ] [ 0 0.749737 0.75 ] [ 0 0.250263 0.25 ] [ 0 0.1861 0.75 ] [ 0 0.8139 0.25 ] [ 0.5 0.6861 0.75 ] [ 0.5 0.3139 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "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" 4.75714002 "source-unit" "angstrom" } "b" { "source-value" 17.51474317 "source-unit" "angstrom" } "c" { "source-value" 4.64309651 "source-unit" "angstrom" } }