{ "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 0.893059 0.25 ] [ 0 0.106941 0.75 ] [ 0.5 0.393059 0.25 ] [ 0.5 0.606941 0.75 ] [ 0.5 0.24943 0.75 ] [ 0.5 0.75057 0.25 ] [ 0 0.74943 0.75 ] [ 0 0.25057 0.25 ] [ 0.5 0.188819 0.25 ] [ 0.5 0.811181 0.75 ] [ 0.5 0.961693 0.75 ] [ 0.5 0.038307 0.25 ] [ 0 0.688819 0.25 ] [ 0 0.311181 0.75 ] [ 0 0.461693 0.75 ] [ 0 0.538307 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.10274488656 "source-unit" "angstrom" } "b" { "source-value" 16.9095177322 "source-unit" "angstrom" } "c" { "source-value" 4.01763071 "source-unit" "angstrom" } }