{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm-3n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0.75 0.5 0 ] [ 0.25 0.5 0 ] [ 0.5 0.354681 0.190117 ] [ 0.5 0.645319 0.809883 ] [ 0.354681 0.190117 0.5 ] [ 0.645319 0.190117 0.5 ] [ 0.190117 0.5 0.354681 ] [ 0.809883 0.5 0.354681 ] [ 0 0.690117 0.145319 ] [ 0 0.309883 0.854681 ] [ 0 0.690117 0.854681 ] [ 0.309883 0.854681 0 ] [ 0.854681 0 0.690117 ] [ 0.854681 0 0.309883 ] [ 0.690117 0.145319 0 ] [ 0.145319 0 0.690117 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.309883 0.145319 ] [ 0.5 0.354681 0.809883 ] [ 0.5 0.645319 0.190117 ] [ 0.645319 0.809883 0.5 ] [ 0.354681 0.809883 0.5 ] [ 0.190117 0.5 0.645319 ] [ 0.809883 0.5 0.645319 ] [ 0.145319 0 0.309883 ] [ 0.309883 0.145319 0 ] [ 0.690117 0.854681 0 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 8.98659167 "source-unit" "angstrom" } }