{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.814825 0 ] [ 0 0.185175 0 ] [ 0 0.5 0.5 ] [ 0.5 0.314825 0 ] [ 0.5 0.685175 0 ] [ 0.5 0.127536 0.5 ] [ 0.5 0.872464 0.5 ] [ 0 0.627536 0.5 ] [ 0 0.372464 0.5 ] [ 0 0 0 ] [ 0.5 0.088387 0 ] [ 0.5 0.911613 0 ] [ 0 0.910933 0.5 ] [ 0 0.089067 0.5 ] [ 0.5 0.218509 0.5 ] [ 0.5 0.781491 0.5 ] [ 0.5 0.5 0 ] [ 0 0.588387 0 ] [ 0 0.411613 0 ] [ 0.5 0.410933 0.5 ] [ 0.5 0.589067 0.5 ] [ 0 0.718509 0.5 ] [ 0 0.281491 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.61834201136 "source-unit" "angstrom" } "b" { "source-value" 27.3050837557 "source-unit" "angstrom" } "c" { "source-value" 4.59159556 "source-unit" "angstrom" } }