{ "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" [ [ 0.790652 0.5 0.861059 ] [ 0.065297 0.5 0.716618 ] [ 0.14512 0 0.423367 ] [ 0.85488 0 0.576633 ] [ 0.209348 0.5 0.138941 ] [ 0.934703 0.5 0.283382 ] [ 0.290652 0 0.861059 ] [ 0.565297 0 0.716618 ] [ 0.64512 0.5 0.423367 ] [ 0.35488 0.5 0.576633 ] [ 0.709348 0 0.138941 ] [ 0.434703 0 0.283382 ] [ 0.857017 0.5 0.575187 ] [ 0.142983 0.5 0.424813 ] [ 0.357017 0 0.575187 ] [ 0.642983 0 0.424813 ] [ 0.07861 0 0.701803 ] [ 0 0.5 0 ] [ 0.770917 0 0.854271 ] [ 0.92139 0 0.298197 ] [ 0.229083 0 0.145729 ] [ 0.57861 0.5 0.701803 ] [ 0.5 0 0 ] [ 0.270917 0.5 0.854271 ] [ 0.42139 0.5 0.298197 ] [ 0.729083 0.5 0.145729 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "N" "N" "N" "N" "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" 10.86840149 "source-unit" "angstrom" } "b" { "source-value" 4.78557903 "source-unit" "angstrom" } "c" { "source-value" 7.61445708 "source-unit" "angstrom" } "beta" { "source-value" 98.4013703 "source-unit" "degree" } }