{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.321631 0.234191 0.227815 ] [ 0.678369 0.734191 0.772185 ] [ 0.734816 0.730527 0.24858 ] [ 0.265184 0.230527 0.75142 ] [ 0.816357 0.946169 0.19917 ] [ 0.808137 0.530297 0.168953 ] [ 0.564194 0.714817 0.367575 ] [ 0.435806 0.214817 0.632425 ] [ 0.183643 0.446169 0.80083 ] [ 0.191863 0.030297 0.831047 ] ] } "species" { "source-value" [ "Ba" "Ba" "C" "C" "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" 4.58013735 "source-unit" "angstrom" } "b" { "source-value" 5.40390254 "source-unit" "angstrom" } "c" { "source-value" 6.98229241 "source-unit" "angstrom" } "beta" { "source-value" 107.35786771 "source-unit" "degree" } }