{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.064147 ] [ 0.5 0.187729 0.248399 ] [ 0.75 0.25 0.064147 ] [ 0.5 0.812271 0.248399 ] [ 0 0 0.05467 ] [ 0 0 0.436209 ] [ 0.75 0.25 0.564147 ] [ 0.5 0.687729 0.748399 ] [ 0.75 0.75 0.564147 ] [ 0.5 0.312271 0.748399 ] [ 0 0.5 0.55467 ] [ 0 0.5 0.936209 ] [ 0.25 0.25 0.064147 ] [ 0 0.687729 0.248399 ] [ 0.25 0.75 0.064147 ] [ 0 0.312271 0.248399 ] [ 0.5 0.5 0.05467 ] [ 0.5 0.5 0.436209 ] [ 0.25 0.75 0.564147 ] [ 0 0.187729 0.748399 ] [ 0.25 0.25 0.564147 ] [ 0 0.812271 0.748399 ] [ 0.5 0 0.55467 ] [ 0.5 0 0.936209 ] [ 0.5 0.249837 0.495683 ] [ 0.5 0.750163 0.495683 ] [ 0.5 0.749837 0.995683 ] [ 0.5 0.250163 0.995683 ] [ 0 0.749837 0.495683 ] [ 0 0.250163 0.495683 ] [ 0 0.249837 0.995683 ] [ 0 0.750163 0.995683 ] [ 0.75002 0 0.253831 ] [ 0.24998 0 0.253831 ] [ 0.75002 0.5 0.753831 ] [ 0.24998 0.5 0.753831 ] [ 0.25002 0.5 0.253831 ] [ 0.74998 0.5 0.253831 ] [ 0.25002 0 0.753831 ] [ 0.74998 0 0.753831 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.602455 "source-unit" "angstrom" } "b" { "source-value" 9.81120098 "source-unit" "angstrom" } "c" { "source-value" 9.92773552 "source-unit" "angstrom" } }