{ "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" [ [ 0.221696 0 0.117815 ] [ 0.778304 0 0.882185 ] [ 0.721696 0.5 0.117815 ] [ 0.278304 0.5 0.882185 ] [ 0.36267 0 0.732648 ] [ 0.63733 0 0.267352 ] [ 0.86267 0.5 0.732648 ] [ 0.13733 0.5 0.267352 ] [ 0.988044 0 0.230974 ] [ 0.011956 0 0.769026 ] [ 0.488044 0.5 0.230974 ] [ 0.511956 0.5 0.769026 ] [ 0.543498 0 0.800669 ] [ 0.456502 0 0.199331 ] [ 0.301239 0.809831 0.845241 ] [ 0.698761 0.190169 0.154759 ] [ 0.301239 0.190169 0.845241 ] [ 0.698761 0.809831 0.154759 ] [ 0.706577 0 0.533806 ] [ 0.293423 0 0.466194 ] [ 0.043498 0.5 0.800669 ] [ 0.956502 0.5 0.199331 ] [ 0.801239 0.309831 0.845241 ] [ 0.198761 0.690169 0.154759 ] [ 0.801239 0.690169 0.845241 ] [ 0.198761 0.309831 0.154759 ] [ 0.206577 0.5 0.533806 ] [ 0.793423 0.5 0.466194 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "W" "W" "W" "W" "Cl" "Cl" "Cl" "Cl" "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" 10.4560094939 "source-unit" "angstrom" } "b" { "source-value" 7.44966803637 "source-unit" "angstrom" } "c" { "source-value" 7.04012749751 "source-unit" "angstrom" } "beta" { "source-value" 107.482543337 "source-unit" "degree" } }