{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.077112 0 0.262206 ] [ 0.67142 0 0.670677 ] [ 0.922888 0 0.737794 ] [ 0.32858 0 0.329323 ] [ 0.577112 0.5 0.262206 ] [ 0.17142 0.5 0.670677 ] [ 0.422888 0.5 0.737794 ] [ 0.82858 0.5 0.329323 ] [ 0.14403 0.5 0.914702 ] [ 0.85597 0.5 0.085298 ] [ 0.64403 0 0.914702 ] [ 0.35597 0 0.085298 ] [ 0.132907 0.5 0.139767 ] [ 0.08134 0 0.72783 ] [ 0.867093 0.5 0.860233 ] [ 0.91866 0 0.27217 ] [ 0.632907 0 0.139767 ] [ 0.58134 0.5 0.72783 ] [ 0.367093 0 0.860233 ] [ 0.41866 0.5 0.27217 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" 16.5616097144 "source-unit" "angstrom" } "b" { "source-value" 3.98520462903 "source-unit" "angstrom" } "c" { "source-value" 9.86892171366 "source-unit" "angstrom" } "beta" { "source-value" 149.979861056 "source-unit" "degree" } }