{ "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 0.688087 0.5 ] [ 0 0.311913 0.5 ] [ 0.5 0.188087 0.5 ] [ 0.5 0.811913 0.5 ] [ 0.242504 0 0.896491 ] [ 0.757496 0 0.103509 ] [ 0.742504 0.5 0.896491 ] [ 0.257496 0.5 0.103509 ] [ 0.238082 0.167971 0.71021 ] [ 0.761918 0.167971 0.28979 ] [ 0.761918 0.832029 0.28979 ] [ 0.238082 0.832029 0.71021 ] [ 0 0 0 ] [ 0.591702 0 0.77293 ] [ 0.408298 0 0.22707 ] [ 0.738082 0.667971 0.71021 ] [ 0.261918 0.667971 0.28979 ] [ 0.261918 0.332029 0.28979 ] [ 0.738082 0.332029 0.71021 ] [ 0.5 0.5 0 ] [ 0.091702 0.5 0.77293 ] [ 0.908298 0.5 0.22707 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "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" 6.44375129282 "source-unit" "angstrom" } "b" { "source-value" 8.68509968732 "source-unit" "angstrom" } "c" { "source-value" 4.83246805354 "source-unit" "angstrom" } "beta" { "source-value" 101.526465646 "source-unit" "degree" } }