{ "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 0.5 0 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.199376 0.5 0.171959 ] [ 0.983128 0.71889 0.231565 ] [ 0.983128 0.28111 0.231565 ] [ 0.19752 0 0.160738 ] [ 0.80248 0 0.839262 ] [ 0.016872 0.71889 0.768435 ] [ 0.016872 0.28111 0.768435 ] [ 0.800624 0.5 0.828041 ] [ 0.699376 0 0.171959 ] [ 0.483128 0.21889 0.231565 ] [ 0.483128 0.78111 0.231565 ] [ 0.69752 0.5 0.160738 ] [ 0.30248 0.5 0.839262 ] [ 0.516872 0.21889 0.768435 ] [ 0.516872 0.78111 0.768435 ] [ 0.300624 0 0.828041 ] ] } "species" { "source-value" [ "Co" "Co" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 10.44662051 "source-unit" "angstrom" } "b" { "source-value" 5.74475055 "source-unit" "angstrom" } "c" { "source-value" 5.48533891 "source-unit" "angstrom" } "beta" { "source-value" 113.59497312 "source-unit" "degree" } }