{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.972234 0.798672 ] [ 0.75 0.883485 0.5 ] [ 0.75 0.527766 0.701328 ] [ 0.25 0.116515 0.5 ] [ 0.25 0.472234 0.701328 ] [ 0.25 0.027766 0.798672 ] [ 0.25 0.472234 0.298672 ] [ 0.25 0.383485 0 ] [ 0.25 0.027766 0.201328 ] [ 0.75 0.616515 0 ] [ 0.75 0.972234 0.201328 ] [ 0.75 0.527766 0.298672 ] [ 0.75 0.283281 0.5 ] [ 0.25 0.716719 0.5 ] [ 0.25 0.783281 0 ] [ 0.75 0.216719 0 ] [ 0.04645 0.686976 0.855596 ] [ 0.45355 0.813024 0.644404 ] [ 0.54645 0.186976 0.644404 ] [ 0.54645 0.313024 0.855596 ] [ 0.04645 0.813024 0.644404 ] [ 0.95355 0.186976 0.644404 ] [ 0.95355 0.313024 0.855596 ] [ 0.45355 0.686976 0.855596 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.54645 0.186976 0.355596 ] [ 0.95355 0.313024 0.144404 ] [ 0.04645 0.686976 0.144404 ] [ 0.04645 0.813024 0.355596 ] [ 0.54645 0.313024 0.144404 ] [ 0.45355 0.686976 0.144404 ] [ 0.45355 0.813024 0.355596 ] [ 0.95355 0.186976 0.355596 ] [ 0 0 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.35788836118 "source-unit" "angstrom" } "b" { "source-value" 7.5354159238 "source-unit" "angstrom" } "c" { "source-value" 13.0200124647 "source-unit" "angstrom" } }