{ "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 0.5 0.5 ] [ 0.631179 0.70169 0.503362 ] [ 0.368821 0.20169 0.996638 ] [ 0.368821 0.29831 0.496638 ] [ 0.631179 0.79831 0.003362 ] [ 0.616527 0.682284 0.320544 ] [ 0.383473 0.182284 0.179456 ] [ 0.383473 0.317716 0.679456 ] [ 0.616527 0.817716 0.820544 ] [ 0.109312 0.571014 0.832763 ] [ 0.890688 0.071014 0.667237 ] [ 0.890688 0.428986 0.167237 ] [ 0.109312 0.928986 0.332763 ] [ 0.904 0.431356 0.7851 ] [ 0.096 0.931356 0.7149 ] [ 0.904 0.068644 0.2851 ] [ 0.096 0.568644 0.2149 ] [ 0.698714 0.230101 0.424193 ] [ 0.301286 0.730101 0.075807 ] [ 0.698714 0.269899 0.924193 ] [ 0.301286 0.769899 0.575807 ] [ 0.72846 0.683806 0.43457 ] [ 0.27154 0.183806 0.06543 ] [ 0.27154 0.316194 0.56543 ] [ 0.72846 0.816194 0.93457 ] [ 0.008353 0.497975 0.741402 ] [ 0.991647 0.997975 0.758598 ] [ 0.991647 0.502025 0.258598 ] [ 0.008353 0.002025 0.241402 ] ] } "species" { "source-value" [ "Co" "Co" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Br" "Br" "Br" "Br" "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" 6.12238730702 "source-unit" "angstrom" } "b" { "source-value" 7.59581845 "source-unit" "angstrom" } "c" { "source-value" 8.65241415017 "source-unit" "angstrom" } "beta" { "source-value" 110.278179293 "source-unit" "degree" } }