{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.877172 0.75 0.23358 ] [ 0.122828 0.25 0.76642 ] [ 0.496821 0.25 0.255903 ] [ 0.503179 0.75 0.744097 ] [ 0.779867 0.25 0.346224 ] [ 0.359195 0.457777 0.204095 ] [ 0.359195 0.042223 0.204095 ] [ 0.640805 0.957777 0.795905 ] [ 0.640805 0.542223 0.795905 ] [ 0.220133 0.75 0.653776 ] ] } "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" 4.65732837061 "source-unit" "angstrom" } "b" { "source-value" 5.43441886 "source-unit" "angstrom" } "c" { "source-value" 6.15233541967 "source-unit" "angstrom" } "beta" { "source-value" 103.635757597 "source-unit" "degree" } }