{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.701214 0.461321 0.931218 ] [ 0.201214 0.538679 0.568782 ] [ 0.298786 0.961321 0.068782 ] [ 0.798786 0.038679 0.431218 ] [ 0.298786 0.538679 0.068782 ] [ 0.798786 0.461321 0.431218 ] [ 0.701214 0.038679 0.931218 ] [ 0.201214 0.961321 0.568782 ] [ 0.970472 0.75 0.997979 ] [ 0.470472 0.25 0.502021 ] [ 0.029528 0.25 0.002021 ] [ 0.529528 0.75 0.497979 ] [ 0.35885 0.75 0.791545 ] [ 0.85885 0.25 0.708455 ] [ 0.64115 0.25 0.208455 ] [ 0.14115 0.75 0.291545 ] [ 0.841202 0.75 0.715458 ] [ 0.341202 0.25 0.784542 ] [ 0.158798 0.25 0.284542 ] [ 0.658798 0.75 0.215458 ] [ 0.573475 0.495786 0.673134 ] [ 0.073475 0.504214 0.826866 ] [ 0.426525 0.995786 0.326866 ] [ 0.926525 0.004214 0.173134 ] [ 0.426525 0.504214 0.326866 ] [ 0.926525 0.495786 0.173134 ] [ 0.573475 0.004214 0.673134 ] [ 0.073475 0.995786 0.826866 ] [ 0.572717 0.75 0.980355 ] [ 0.072717 0.25 0.519645 ] [ 0.427283 0.25 0.019645 ] [ 0.927283 0.75 0.480355 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.85026618 "source-unit" "angstrom" } "b" { "source-value" 8.8127686 "source-unit" "angstrom" } "c" { "source-value" 11.79816148 "source-unit" "angstrom" } }