{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.54438 0.112379 0.090018 ] [ 0.95562 0.612379 0.409982 ] [ 0.04438 0.387621 0.590018 ] [ 0.45562 0.887621 0.909982 ] [ 0.278206 0.300856 0.63925 ] [ 0.221794 0.800856 0.86075 ] [ 0.622959 0.804584 0.824175 ] [ 0.721794 0.699144 0.36075 ] [ 0.122959 0.695416 0.324175 ] [ 0.877041 0.304584 0.675825 ] [ 0.778206 0.199144 0.13925 ] [ 0.377041 0.195416 0.175825 ] ] } "species" { "source-value" [ "Zn" "Zn" "C" "C" "C" "C" "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" 5.384379359 "source-unit" "angstrom" } "b" { "source-value" 5.31173078 "source-unit" "angstrom" } "c" { "source-value" 5.94604321121 "source-unit" "angstrom" } "beta" { "source-value" 112.360543648 "source-unit" "degree" } }