{ "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" [ [ 0.177644 0.5 0.163216 ] [ 0.822356 0.5 0.836784 ] [ 0.677644 0 0.163216 ] [ 0.322356 0 0.836784 ] [ 0 0.22799 0.5 ] [ 0 0.77201 0.5 ] [ 0 0 0 ] [ 0.5 0.72799 0.5 ] [ 0.5 0.27201 0.5 ] [ 0.5 0.5 0 ] [ 0.865398 0 0.446198 ] [ 0.134602 0 0.553802 ] [ 0.889391 0.5 0.468934 ] [ 0.110609 0.5 0.531066 ] [ 0.169844 0 0.06019 ] [ 0.00026 0.755075 0.795574 ] [ 0.99974 0.755075 0.204426 ] [ 0.99974 0.244925 0.204426 ] [ 0.00026 0.244925 0.795574 ] [ 0.830156 0 0.93981 ] [ 0.365398 0.5 0.446198 ] [ 0.634602 0.5 0.553802 ] [ 0.389391 0 0.468934 ] [ 0.610609 0 0.531066 ] [ 0.669844 0.5 0.06019 ] [ 0.50026 0.255075 0.795574 ] [ 0.49974 0.255075 0.204426 ] [ 0.49974 0.744925 0.204426 ] [ 0.50026 0.744925 0.795574 ] [ 0.330156 0.5 0.93981 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "O" "O" "O" "O" "O" "O" "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" 11.4059412981 "source-unit" "angstrom" } "b" { "source-value" 5.59356895 "source-unit" "angstrom" } "c" { "source-value" 6.66170671406 "source-unit" "angstrom" } "beta" { "source-value" 102.658525977 "source-unit" "degree" } }