{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.308395 0.450874 0.701353 ] [ 0.691605 0.950874 0.798647 ] [ 0.691605 0.549126 0.298647 ] [ 0.308395 0.049126 0.201353 ] [ 0.932852 0.161127 0.455065 ] [ 0.067148 0.838873 0.544935 ] [ 0.932852 0.338873 0.955065 ] [ 0.067148 0.661127 0.044935 ] [ 0.588396 0.274446 0.998919 ] [ 0.588396 0.225554 0.498919 ] [ 0.411604 0.774446 0.501081 ] [ 0.411604 0.725554 0.001081 ] [ 0.094307 0.387068 0.278724 ] [ 0.905693 0.887068 0.221276 ] [ 0.905693 0.612932 0.721276 ] [ 0.094307 0.112932 0.778724 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.84824073109 "source-unit" "angstrom" } "b" { "source-value" 7.61052302 "source-unit" "angstrom" } "c" { "source-value" 7.2675911393 "source-unit" "angstrom" } "beta" { "source-value" 97.0734473277 "source-unit" "degree" } }