{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.870902 0.723792 0.328361 ] [ 0.129098 0.223792 0.171639 ] [ 0.129098 0.276208 0.671639 ] [ 0.870902 0.776208 0.828361 ] [ 0.574457 0.625058 0.182148 ] [ 0.425543 0.125058 0.317852 ] [ 0.425543 0.374942 0.817852 ] [ 0.574457 0.874942 0.682148 ] [ 0.174676 0.682067 0.971632 ] [ 0.825324 0.182067 0.528368 ] [ 0.663046 0.769899 0.943875 ] [ 0.336954 0.269899 0.556125 ] [ 0.336954 0.230101 0.056125 ] [ 0.663046 0.730101 0.443875 ] [ 0.073473 0.786053 0.71653 ] [ 0.926527 0.286053 0.78347 ] [ 0.926527 0.213947 0.28347 ] [ 0.073473 0.713947 0.21653 ] [ 0.174676 0.817933 0.471632 ] [ 0.825324 0.317933 0.028368 ] ] } "species" { "source-value" [ "Mg" "Mg" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.6072959 "source-unit" "angstrom" } "b" { "source-value" 5.82521923 "source-unit" "angstrom" } "c" { "source-value" 11.03359794 "source-unit" "angstrom" } "beta" { "source-value" 109.56059482 "source-unit" "degree" } }