{ "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" [ [ 0.004134 0.5 0.753205 ] [ 0.995866 0.5 0.246795 ] [ 0.504134 0 0.753205 ] [ 0.495866 0 0.246795 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.272372 0.732322 0.239474 ] [ 0.727628 0.267678 0.760526 ] [ 0.772372 0.767678 0.239474 ] [ 0.060255 0 0.331118 ] [ 0.227628 0.232322 0.760526 ] [ 0.939745 0 0.668882 ] [ 0.772372 0.232322 0.239474 ] [ 0.227628 0.767678 0.760526 ] [ 0.272372 0.267678 0.239474 ] [ 0.560255 0.5 0.331118 ] [ 0.727628 0.732322 0.760526 ] [ 0.439745 0.5 0.668882 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ta" "Ta" "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" 10.6436667248 "source-unit" "angstrom" } "b" { "source-value" 6.10668068824 "source-unit" "angstrom" } "c" { "source-value" 8.63222721416 "source-unit" "angstrom" } "beta" { "source-value" 144.592647619 "source-unit" "degree" } }