{ "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 0.841168 0.5 ] [ 0 0.158832 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.341168 0.5 ] [ 0.5 0.658832 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.333131 0 ] [ 0 0.666869 0 ] [ 0.5 0.833131 0 ] [ 0.5 0.166869 0 ] [ 0.714009 0 0.225234 ] [ 0.744686 0.18183 0.780913 ] [ 0.744686 0.81817 0.780913 ] [ 0.255314 0.81817 0.219087 ] [ 0.255314 0.18183 0.219087 ] [ 0.285991 0 0.774766 ] [ 0.214009 0.5 0.225234 ] [ 0.244686 0.68183 0.780913 ] [ 0.244686 0.31817 0.780913 ] [ 0.755314 0.31817 0.219087 ] [ 0.755314 0.68183 0.219087 ] [ 0.785991 0.5 0.774766 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "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" 6.00110286 "source-unit" "angstrom" } "b" { "source-value" 10.35184338 "source-unit" "angstrom" } "c" { "source-value" 5.9525285 "source-unit" "angstrom" } "beta" { "source-value" 109.8471823 "source-unit" "degree" } }