{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.985272 0.059274 0.25 ] [ 0.485272 0.440726 0.75 ] [ 0.514728 0.559274 0.25 ] [ 0.014728 0.940726 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.597888 0.02907 0.75 ] [ 0.198871 0.200879 0.550777 ] [ 0.198871 0.200879 0.949223 ] [ 0.698871 0.299121 0.449223 ] [ 0.698871 0.299121 0.050777 ] [ 0.097888 0.47093 0.25 ] [ 0.902112 0.52907 0.75 ] [ 0.301129 0.700879 0.949223 ] [ 0.301129 0.700879 0.550777 ] [ 0.801129 0.799121 0.050777 ] [ 0.801129 0.799121 0.449223 ] [ 0.402112 0.97093 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.48624633 "source-unit" "angstrom" } "b" { "source-value" 5.71975709 "source-unit" "angstrom" } "c" { "source-value" 7.80831484 "source-unit" "angstrom" } }