{ "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" [ [ 0.146072 0 0.054194 ] [ 0.853928 0 0.945806 ] [ 0.646072 0.5 0.054194 ] [ 0.353928 0.5 0.945806 ] [ 0.951279 0.5 0.850557 ] [ 0.048721 0.5 0.149443 ] [ 0.21351 0 0.426158 ] [ 0.78649 0 0.573842 ] [ 0.451279 0 0.850557 ] [ 0.548721 0 0.149443 ] [ 0.71351 0.5 0.426158 ] [ 0.28649 0.5 0.573842 ] [ 0.920039 0.5 0.179929 ] [ 0.079961 0.5 0.820071 ] [ 0.249953 0.5 0.21808 ] [ 0.750047 0.5 0.78192 ] [ 0.083925 0 0.364399 ] [ 0.916075 0 0.635601 ] [ 0.420039 0 0.179929 ] [ 0.579961 0 0.820071 ] [ 0.749953 0 0.21808 ] [ 0.250047 0 0.78192 ] [ 0.583925 0.5 0.364399 ] [ 0.416075 0.5 0.635601 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 20.5565622871 "source-unit" "angstrom" } "b" { "source-value" 4.08450515399 "source-unit" "angstrom" } "c" { "source-value" 7.37421665234 "source-unit" "angstrom" } "beta" { "source-value" 98.59351613 "source-unit" "degree" } }