{ "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" [ [ 0.898461 0 0.293036 ] [ 0.803056 0 0.710365 ] [ 0.196944 0 0.289635 ] [ 0.101539 0 0.706964 ] [ 0.398461 0.5 0.293036 ] [ 0.303056 0.5 0.710365 ] [ 0.696944 0.5 0.289635 ] [ 0.601539 0.5 0.706964 ] [ 0.941599 0 0.637328 ] [ 0.861561 0.5 0.30668 ] [ 0.86097 0 0.996756 ] [ 0.238385 0.5 0.347642 ] [ 0.761615 0.5 0.652358 ] [ 0.13903 0 0.003244 ] [ 0.138439 0.5 0.69332 ] [ 0.058401 0 0.362672 ] [ 0.441599 0.5 0.637328 ] [ 0.361561 0 0.30668 ] [ 0.36097 0.5 0.996756 ] [ 0.738385 0 0.347642 ] [ 0.261615 0 0.652358 ] [ 0.63903 0.5 0.003244 ] [ 0.638439 0 0.69332 ] [ 0.558401 0.5 0.362672 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "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" 13.13286525 "source-unit" "angstrom" } "b" { "source-value" 3.98746901 "source-unit" "angstrom" } "c" { "source-value" 6.90766543 "source-unit" "angstrom" } "beta" { "source-value" 107.59178698 "source-unit" "degree" } }