{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.694319 0.446166 0.332106 ] [ 0.805681 0.946166 0.667894 ] [ 0.194319 0.053834 0.332106 ] [ 0.305681 0.553834 0.667894 ] [ 0.179756 0.651138 0.062109 ] [ 0.679756 0.848862 0.062109 ] [ 0.320244 0.151138 0.937891 ] [ 0.820244 0.348862 0.937891 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.63714 0.015458 0.3156 ] [ 0.13714 0.484542 0.3156 ] [ 0.86286 0.515458 0.6844 ] [ 0.36286 0.984542 0.6844 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "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" 5.92133253 "source-unit" "angstrom" } "b" { "source-value" 6.03864773 "source-unit" "angstrom" } "c" { "source-value" 8.13448739 "source-unit" "angstrom" } "beta" { "source-value" 107.42258777 "source-unit" "degree" } }