{ "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 0.692913 0.5 ] [ 0 0.307087 0.5 ] [ 0.5 0.192913 0.5 ] [ 0.5 0.807087 0.5 ] [ 0.773699 0 0.091966 ] [ 0.226301 0 0.908034 ] [ 0.273699 0.5 0.091966 ] [ 0.726301 0.5 0.908034 ] [ 0.766147 0.150313 0.278138 ] [ 0.233853 0.150313 0.721862 ] [ 0.233853 0.849687 0.721862 ] [ 0.766147 0.849687 0.278138 ] [ 0 0 0 ] [ 0.617335 0 0.785952 ] [ 0.382665 0 0.214048 ] [ 0.266147 0.650313 0.278138 ] [ 0.733853 0.650313 0.721862 ] [ 0.733853 0.349687 0.721862 ] [ 0.266147 0.349687 0.278138 ] [ 0.5 0.5 0 ] [ 0.117335 0.5 0.785952 ] [ 0.882665 0.5 0.214048 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.16182583 "source-unit" "angstrom" } "b" { "source-value" 9.44893498 "source-unit" "angstrom" } "c" { "source-value" 4.98852436 "source-unit" "angstrom" } "beta" { "source-value" 101.70332695 "source-unit" "degree" } }