{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.087329 0.298266 0.144379 ] [ 0.912671 0.298266 0.855621 ] [ 0.087329 0.701734 0.144379 ] [ 0.912671 0.701734 0.855621 ] [ 0.587329 0.798266 0.144379 ] [ 0.412671 0.798266 0.855621 ] [ 0.587329 0.201734 0.144379 ] [ 0.412671 0.201734 0.855621 ] [ 0.237225 0 0.591259 ] [ 0.762775 0 0.408741 ] [ 0.737225 0.5 0.591259 ] [ 0.262775 0.5 0.408741 ] [ 0 0.767926 0 ] [ 0 0.232074 0 ] [ 0.5 0.267926 0 ] [ 0.5 0.732074 0 ] ] } "species" { "source-value" [ "Co" "Co" "H" "H" "H" "H" "H" "H" "H" "H" "Br" "Br" "Br" "Br" "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" 7.97285392117 "source-unit" "angstrom" } "b" { "source-value" 8.74758917215 "source-unit" "angstrom" } "c" { "source-value" 3.81121301601 "source-unit" "angstrom" } "beta" { "source-value" 101.282966591 "source-unit" "degree" } }