{ "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" [ [ 0.994183 0.97267 0.75105 ] [ 0.505817 0.47267 0.74895 ] [ 0.494183 0.52733 0.25105 ] [ 0.005817 0.02733 0.24895 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.565988 0.986935 0.262313 ] [ 0.934012 0.486935 0.237687 ] [ 0.434012 0.013065 0.737687 ] [ 0.065988 0.513065 0.762313 ] [ 0.294114 0.270022 0.465037 ] [ 0.205886 0.770022 0.034963 ] [ 0.705886 0.729978 0.534963 ] [ 0.794114 0.229978 0.965037 ] [ 0.73198 0.708053 0.965506 ] [ 0.76802 0.208053 0.534494 ] [ 0.26802 0.291947 0.034494 ] [ 0.23198 0.791947 0.465506 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Lu" "Lu" "Ru" "Ru" "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" 5.77834340959 "source-unit" "angstrom" } "b" { "source-value" 5.79173124 "source-unit" "angstrom" } "c" { "source-value" 8.16725373102 "source-unit" "angstrom" } "beta" { "source-value" 90.2453477784 "source-unit" "degree" } }