{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.917699 0.25 ] [ 0 0.082301 0.75 ] [ 0.5 0.417699 0.25 ] [ 0.5 0.582301 0.75 ] [ 0.5 0.191311 0.25 ] [ 0.5 0.808689 0.75 ] [ 0 0.691311 0.25 ] [ 0 0.308689 0.75 ] [ 0 0.81428 0.017182 ] [ 0 0.18572 0.982818 ] [ 0 0.18572 0.517182 ] [ 0 0.81428 0.482818 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.91136 0.25 ] [ 0.5 0.08864 0.75 ] [ 0.5 0.31428 0.017182 ] [ 0.5 0.68572 0.982818 ] [ 0.5 0.68572 0.517182 ] [ 0.5 0.31428 0.482818 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.41136 0.25 ] [ 0 0.58864 0.75 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 3.86324194314 "source-unit" "angstrom" } "b" { "source-value" 15.3461570674 "source-unit" "angstrom" } "c" { "source-value" 5.60024378 "source-unit" "angstrom" } }