{ "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" [ [ 0.002915 0 0.322333 ] [ 0.997085 0 0.677667 ] [ 0 0 0 ] [ 0.502915 0.5 0.322333 ] [ 0.497085 0.5 0.677667 ] [ 0.5 0.5 0 ] [ 0.094747 0.5 0.254182 ] [ 0.905253 0.5 0.745818 ] [ 0.713974 0 0.81996 ] [ 0.286026 0 0.18004 ] [ 0.594747 0 0.254182 ] [ 0.405253 0 0.745818 ] [ 0.213974 0.5 0.81996 ] [ 0.786026 0.5 0.18004 ] [ 0.834804 0.5 0.029546 ] [ 0.165196 0.5 0.970454 ] [ 0.726565 0.5 0.716791 ] [ 0.253046 0 0.420696 ] [ 0.273435 0.5 0.283209 ] [ 0.746954 0 0.579304 ] [ 0 0.5 0.5 ] [ 0.334804 0 0.029546 ] [ 0.665196 0 0.970454 ] [ 0.226565 0 0.716791 ] [ 0.753046 0.5 0.420696 ] [ 0.773435 0 0.283209 ] [ 0.246954 0.5 0.579304 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "P" "P" "P" "P" "P" "P" "P" "P" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.4292545648 "source-unit" "angstrom" } "b" { "source-value" 4.02176028223 "source-unit" "angstrom" } "c" { "source-value" 12.5588433729 "source-unit" "angstrom" } "beta" { "source-value" 142.37975711 "source-unit" "degree" } }