{ "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" [ [ 0.064722 0.5 0.716109 ] [ 0.791852 0.5 0.861485 ] [ 0.145862 0 0.422863 ] [ 0.854138 0 0.577137 ] [ 0.208148 0.5 0.138515 ] [ 0.935278 0.5 0.283891 ] [ 0.564722 0 0.716109 ] [ 0.291852 0 0.861485 ] [ 0.645862 0.5 0.422863 ] [ 0.354138 0.5 0.577137 ] [ 0.708148 0 0.138515 ] [ 0.435278 0 0.283891 ] [ 0.857603 0.5 0.574517 ] [ 0.142397 0.5 0.425483 ] [ 0.357603 0 0.574517 ] [ 0.642397 0 0.425483 ] [ 0.077688 0 0.703546 ] [ 0 0.5 0 ] [ 0.773019 0 0.854565 ] [ 0.226981 0 0.145435 ] [ 0.922312 0 0.296454 ] [ 0.577688 0.5 0.703546 ] [ 0.5 0 0 ] [ 0.273019 0.5 0.854565 ] [ 0.726981 0.5 0.145435 ] [ 0.422312 0.5 0.296454 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "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" 10.0115535 "source-unit" "angstrom" } "b" { "source-value" 4.42237801 "source-unit" "angstrom" } "c" { "source-value" 7.02730304 "source-unit" "angstrom" } "beta" { "source-value" 98.4947673 "source-unit" "degree" } }