{ "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 0.5 0.5 ] [ 0 0 0 ] [ 0.471886 0.692835 0.35919 ] [ 0.528114 0.192835 0.14081 ] [ 0.528114 0.307165 0.64081 ] [ 0.471886 0.807165 0.85919 ] [ 0.658854 0.68313 0.373079 ] [ 0.341146 0.18313 0.126921 ] [ 0.341146 0.31687 0.626921 ] [ 0.658854 0.81687 0.873079 ] [ 0.855327 0.217317 0.194766 ] [ 0.144673 0.717317 0.305234 ] [ 0.144673 0.782683 0.805234 ] [ 0.855327 0.282683 0.694766 ] ] } "species" { "source-value" [ "U" "U" "H" "H" "H" "H" "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" 5.49119146471 "source-unit" "angstrom" } "b" { "source-value" 5.31809228 "source-unit" "angstrom" } "c" { "source-value" 6.10781206786 "source-unit" "angstrom" } "beta" { "source-value" 109.187970743 "source-unit" "degree" } }