{ "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" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.75 0.75 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.020994 0.745235 0.802712 ] [ 0.766142 0 0.808495 ] [ 0.020994 0.254765 0.802712 ] [ 0.262231 0 0.802409 ] [ 0.737769 0 0.197591 ] [ 0.979006 0.745235 0.197288 ] [ 0.233858 0 0.191505 ] [ 0.979006 0.254765 0.197288 ] [ 0.520994 0.245235 0.802712 ] [ 0.266142 0.5 0.808495 ] [ 0.520994 0.754765 0.802712 ] [ 0.762231 0.5 0.802409 ] [ 0.237769 0.5 0.197591 ] [ 0.479006 0.245235 0.197288 ] [ 0.733858 0.5 0.191505 ] [ 0.479006 0.754765 0.197288 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "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" 9.8457052 "source-unit" "angstrom" } "b" { "source-value" 5.71130575 "source-unit" "angstrom" } "c" { "source-value" 5.95232425 "source-unit" "angstrom" } "beta" { "source-value" 124.31480304 "source-unit" "degree" } }