{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.512666 0.794792 ] [ 0.75 0.487334 0.205208 ] [ 0.25 0.012666 0.705208 ] [ 0.75 0.987334 0.294792 ] [ 0.25 0.189231 0.088167 ] [ 0.75 0.310769 0.588167 ] [ 0.25 0.689231 0.411833 ] [ 0.75 0.810769 0.911833 ] [ 0.75 0.206761 0.917337 ] [ 0.25 0.293239 0.417337 ] [ 0.75 0.706761 0.582663 ] [ 0.25 0.793239 0.082663 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Sn" "Sn" "Sn" "Sn" "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" 4.72787233 "source-unit" "angstrom" } "b" { "source-value" 7.46090339 "source-unit" "angstrom" } "c" { "source-value" 7.99922326 "source-unit" "angstrom" } }