{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.314472 0 0.352441 ] [ 0.975309 0.332634 0.680036 ] [ 0.975309 0.667366 0.680036 ] [ 0.814472 0.5 0.352441 ] [ 0.475309 0.832634 0.680036 ] [ 0.475309 0.167366 0.680036 ] [ 0.016087 0 0.98866 ] [ 0.516087 0.5 0.98866 ] [ 0.460242 0 0.536286 ] [ 0.960242 0.5 0.536286 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "Br" "Br" "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" 6.97283705175 "source-unit" "angstrom" } "b" { "source-value" 4.95241733761 "source-unit" "angstrom" } "c" { "source-value" 4.42975515826 "source-unit" "angstrom" } "beta" { "source-value" 112.768323858 "source-unit" "degree" } }