{ "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" [ [ 0.700419 0.46444 0.932521 ] [ 0.200419 0.964441 0.567479 ] [ 0.700419 0.03556 0.932521 ] [ 0.799581 0.46444 0.432521 ] [ 0.974581 0.75 0.997644 ] [ 0.474581 0.25 0.502356 ] [ 0.025419 0.25 0.002356 ] [ 0.525419 0.75 0.497644 ] [ 0.299581 0.535559 0.067479 ] [ 0.799581 0.03556 0.432521 ] [ 0.299581 0.964441 0.067479 ] [ 0.200419 0.535559 0.567479 ] [ 0.369375 0.75 0.794866 ] [ 0.869375 0.25 0.705134 ] [ 0.630625 0.25 0.205134 ] [ 0.130625 0.75 0.294866 ] [ 0.846642 0.75 0.711343 ] [ 0.346642 0.25 0.788657 ] [ 0.153358 0.25 0.288657 ] [ 0.653358 0.75 0.211343 ] [ 0.578128 0.495215 0.672993 ] [ 0.921872 0.004785 0.172993 ] [ 0.421872 0.995215 0.327007 ] [ 0.078128 0.504785 0.827007 ] [ 0.421872 0.504785 0.327007 ] [ 0.078128 0.995215 0.827007 ] [ 0.578128 0.004785 0.672993 ] [ 0.921872 0.495215 0.172993 ] [ 0.578604 0.75 0.977126 ] [ 0.078604 0.25 0.522874 ] [ 0.421396 0.25 0.022874 ] [ 0.921396 0.75 0.477126 ] ] } "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" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.82736299 "source-unit" "angstrom" } "b" { "source-value" 8.79183313 "source-unit" "angstrom" } "c" { "source-value" 11.7595556 "source-unit" "angstrom" } }