{ "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 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.712251 0.5 0.560602 ] [ 0.145088 0 0.921578 ] [ 0.287749 0.5 0.439398 ] [ 0.854912 0 0.078422 ] [ 0.212251 0 0.560602 ] [ 0.645088 0.5 0.921578 ] [ 0.787749 0 0.439398 ] [ 0.354912 0.5 0.078422 ] [ 0.16899 0 0.169913 ] [ 0.128266 0.5 0.320243 ] [ 0.985737 0.5 0.641855 ] [ 0.871734 0.5 0.679757 ] [ 0.83101 0 0.830087 ] [ 0.298951 0.5 0.170311 ] [ 0.014263 0.5 0.358145 ] [ 0.701049 0.5 0.829689 ] [ 0.66899 0.5 0.169913 ] [ 0.628266 0 0.320243 ] [ 0.485737 0 0.641855 ] [ 0.371734 0 0.679757 ] [ 0.33101 0.5 0.830087 ] [ 0.798951 0 0.170311 ] [ 0.514263 0 0.358145 ] [ 0.201049 0 0.829689 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 25.0497452238 "source-unit" "angstrom" } "b" { "source-value" 4.10493515699 "source-unit" "angstrom" } "c" { "source-value" 14.6662405192 "source-unit" "angstrom" } "beta" { "source-value" 150.359308354 "source-unit" "degree" } }