{ "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" [ [ 0.778208 0 0.887308 ] [ 0.221792 0 0.112692 ] [ 0.278208 0.5 0.887308 ] [ 0.721792 0.5 0.112692 ] [ 0.362164 0 0.730994 ] [ 0.637836 0 0.269006 ] [ 0.862164 0.5 0.730994 ] [ 0.137836 0.5 0.269006 ] [ 0.010487 0 0.767479 ] [ 0.989513 0 0.232521 ] [ 0.510487 0.5 0.767479 ] [ 0.489513 0.5 0.232521 ] [ 0.300534 0.809353 0.847121 ] [ 0.300534 0.190647 0.847121 ] [ 0.293296 0 0.464568 ] [ 0.699466 0.809353 0.152879 ] [ 0.706704 0 0.535432 ] [ 0.699466 0.190647 0.152879 ] [ 0.542829 0 0.797572 ] [ 0.457171 0 0.202428 ] [ 0.800534 0.309353 0.847121 ] [ 0.800534 0.690647 0.847121 ] [ 0.793296 0.5 0.464568 ] [ 0.199466 0.309353 0.152879 ] [ 0.206704 0.5 0.535432 ] [ 0.199466 0.690647 0.152879 ] [ 0.042829 0.5 0.797572 ] [ 0.957171 0.5 0.202428 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Mo" "Mo" "Mo" "Mo" "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" 10.3113169218 "source-unit" "angstrom" } "b" { "source-value" 7.32974743454 "source-unit" "angstrom" } "c" { "source-value" 6.92707252893 "source-unit" "angstrom" } "beta" { "source-value" 107.261715282 "source-unit" "degree" } }