{ "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 0.513545 0.801564 ] [ 0.75 0.486455 0.198436 ] [ 0.25 0.013545 0.698436 ] [ 0.75 0.986455 0.301564 ] [ 0.25 0.185687 0.091483 ] [ 0.75 0.314313 0.591483 ] [ 0.25 0.685687 0.408517 ] [ 0.75 0.814313 0.908517 ] [ 0.75 0.213782 0.923008 ] [ 0.25 0.286218 0.423008 ] [ 0.75 0.713782 0.576992 ] [ 0.25 0.786218 0.076992 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Sb" "Sb" "Sb" "Sb" "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" 4.65769706 "source-unit" "angstrom" } "b" { "source-value" 7.34159098 "source-unit" "angstrom" } "c" { "source-value" 7.8368231 "source-unit" "angstrom" } }