{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.12779 0.75 ] [ 0 0.87221 0.25 ] [ 0.5 0.62779 0.75 ] [ 0.5 0.37221 0.25 ] [ 0.155095 0.626249 0.025959 ] [ 0.344905 0.126249 0.474041 ] [ 0.655095 0.873751 0.525959 ] [ 0.844905 0.373751 0.974041 ] [ 0.655095 0.126249 0.025959 ] [ 0.844905 0.626249 0.474041 ] [ 0.155095 0.373751 0.525959 ] [ 0.344905 0.873751 0.974041 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.75215407 "source-unit" "angstrom" } "b" { "source-value" 5.02686278 "source-unit" "angstrom" } "c" { "source-value" 9.48501272 "source-unit" "angstrom" } "beta" { "source-value" 117.51735827 "source-unit" "degree" } }