{ "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 0.132866 0.75 ] [ 0 0.867134 0.25 ] [ 0.5 0.632866 0.75 ] [ 0.5 0.367134 0.25 ] [ 0.5 0.921909 0.75 ] [ 0.5 0.078091 0.25 ] [ 0 0.421909 0.75 ] [ 0 0.578091 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.39465645326 "source-unit" "angstrom" } "b" { "source-value" 12.935489389 "source-unit" "angstrom" } "c" { "source-value" 4.90388274 "source-unit" "angstrom" } }