{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.795596 0.75 ] [ 0.5 0.204404 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.295596 0.75 ] [ 0 0.704404 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.801522 0.410289 ] [ 0.5 0.198478 0.589711 ] [ 0.5 0.198478 0.910289 ] [ 0.5 0.801522 0.089711 ] [ 0 0.090215 0.75 ] [ 0 0.909785 0.25 ] [ 0 0.926086 0.75 ] [ 0 0.073914 0.25 ] [ 0 0.301522 0.410289 ] [ 0 0.698478 0.589711 ] [ 0 0.698478 0.910289 ] [ 0 0.301522 0.089711 ] [ 0.5 0.590215 0.75 ] [ 0.5 0.409785 0.25 ] [ 0.5 0.426086 0.75 ] [ 0.5 0.573914 0.25 ] [ 0 0.14631 0.493865 ] [ 0 0.85369 0.506135 ] [ 0 0.85369 0.993865 ] [ 0 0.14631 0.006135 ] [ 0.5 0.64631 0.493865 ] [ 0.5 0.35369 0.506135 ] [ 0.5 0.35369 0.993865 ] [ 0.5 0.64631 0.006135 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Rh" "Rh" "Rh" "Rh" "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" 4.60739341 "source-unit" "angstrom" } "b" { "source-value" 17.22998316 "source-unit" "angstrom" } "c" { "source-value" 9.6516397 "source-unit" "angstrom" } }