{ "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" [ [ 0.208338 0.726929 0.75 ] [ 0.791662 0.273071 0.25 ] [ 0.208338 0.273071 0.75 ] [ 0.791662 0.726929 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.708338 0.226929 0.75 ] [ 0.291662 0.773071 0.25 ] [ 0.708338 0.773071 0.75 ] [ 0.291662 0.226929 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.579397 0 0.75 ] [ 0.420603 0 0.25 ] [ 0.98021 0.131856 0.75 ] [ 0.01979 0.868144 0.25 ] [ 0.98021 0.868144 0.75 ] [ 0.01979 0.131856 0.25 ] [ 0.314229 0.87418 0.966917 ] [ 0.685771 0.12582 0.466917 ] [ 0.314229 0.12582 0.966917 ] [ 0.685771 0.87418 0.466917 ] [ 0.314229 0.87418 0.533083 ] [ 0.685771 0.12582 0.033083 ] [ 0.685771 0.87418 0.033083 ] [ 0.314229 0.12582 0.533083 ] [ 0.079397 0.5 0.75 ] [ 0.920603 0.5 0.25 ] [ 0.48021 0.631856 0.75 ] [ 0.51979 0.368144 0.25 ] [ 0.48021 0.368144 0.75 ] [ 0.51979 0.631856 0.25 ] [ 0.814229 0.37418 0.966917 ] [ 0.185771 0.62582 0.466917 ] [ 0.814229 0.62582 0.966917 ] [ 0.185771 0.37418 0.466917 ] [ 0.814229 0.37418 0.533083 ] [ 0.185771 0.62582 0.033083 ] [ 0.185771 0.37418 0.033083 ] [ 0.814229 0.62582 0.533083 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.67178767896 "source-unit" "angstrom" } "b" { "source-value" 11.0675880348 "source-unit" "angstrom" } "c" { "source-value" 7.77662515 "source-unit" "angstrom" } }