{ "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 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.099189 0.5 0.782486 ] [ 0.900811 0.5 0.217514 ] [ 0.599189 0 0.782486 ] [ 0.400811 0 0.217514 ] [ 0.020332 0.274248 0.762885 ] [ 0.979668 0.274248 0.237115 ] [ 0.751416 0 0.799783 ] [ 0.248584 0 0.200217 ] [ 0.020332 0.725752 0.762885 ] [ 0.979668 0.725752 0.237115 ] [ 0.520332 0.774248 0.762885 ] [ 0.479668 0.774248 0.237115 ] [ 0.251416 0.5 0.799783 ] [ 0.748584 0.5 0.200217 ] [ 0.520332 0.225752 0.762885 ] [ 0.479668 0.225752 0.237115 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "C" "C" "C" "C" "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" 8.68680494 "source-unit" "angstrom" } "b" { "source-value" 4.96491698 "source-unit" "angstrom" } "c" { "source-value" 6.14010441 "source-unit" "angstrom" } "beta" { "source-value" 115.62184494 "source-unit" "degree" } }