{ "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" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.003133 0 0.252177 ] [ 0.996867 0 0.747823 ] [ 0.503133 0.5 0.252177 ] [ 0.496867 0.5 0.747823 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.242731 0.255581 0.271 ] [ 0.757269 0.255581 0.729 ] [ 0.242731 0.744419 0.271 ] [ 0.05333 0.5 0.810225 ] [ 0.94667 0.5 0.189775 ] [ 0.757269 0.744419 0.729 ] [ 0.742731 0.755581 0.271 ] [ 0.257269 0.755581 0.729 ] [ 0.742731 0.244419 0.271 ] [ 0.55333 0 0.810225 ] [ 0.44667 0 0.189775 ] [ 0.257269 0.244419 0.729 ] ] } "species" { "source-value" [ "Tb" "Tb" "Ba" "Ba" "Ba" "Ba" "Bi" "Bi" "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" 10.6939060046 "source-unit" "angstrom" } "b" { "source-value" 6.16524929732 "source-unit" "angstrom" } "c" { "source-value" 8.70374584614 "source-unit" "angstrom" } "beta" { "source-value" 144.62552295 "source-unit" "degree" } }