{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.113756 0.91834 ] [ 0.5 0.886244 0.08166 ] [ 0 0.113756 0.58166 ] [ 0 0.886244 0.41834 ] [ 0 0.613756 0.91834 ] [ 0 0.386244 0.08166 ] [ 0.5 0.613756 0.58166 ] [ 0.5 0.386244 0.41834 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.25 0.215137 0.25 ] [ 0.25 0.784863 0.75 ] [ 0.75 0.215137 0.25 ] [ 0.75 0.784863 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.715137 0.25 ] [ 0.75 0.284863 0.75 ] [ 0.25 0.715137 0.25 ] [ 0.25 0.284863 0.75 ] [ 0.5 0.184199 0.550718 ] [ 0.5 0.815801 0.449282 ] [ 0 0.184199 0.949282 ] [ 0.75 0.046455 0.25 ] [ 0.25 0.046455 0.25 ] [ 0.25 0.953545 0.75 ] [ 0.75 0.953545 0.75 ] [ 0 0.815801 0.050718 ] [ 0 0.684199 0.550718 ] [ 0 0.315801 0.449282 ] [ 0.5 0.684199 0.949282 ] [ 0.25 0.546455 0.25 ] [ 0.75 0.546455 0.25 ] [ 0.75 0.453545 0.75 ] [ 0.25 0.453545 0.75 ] [ 0.5 0.315801 0.050718 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.02668494921 "source-unit" "angstrom" } "b" { "source-value" 15.0449107344 "source-unit" "angstrom" } "c" { "source-value" 7.93684592 "source-unit" "angstrom" } }