{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.757338 0 ] [ 0.5 0.242662 0 ] [ 0 0.750322 0.5 ] [ 0 0.249678 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.76548 0 0.266975 ] [ 0.752092 0.5 0.274457 ] [ 0.741899 0.73387 0.724894 ] [ 0.258101 0.73387 0.275106 ] [ 0.741899 0.26613 0.724894 ] [ 0.23452 0 0.733025 ] [ 0.258101 0.26613 0.275106 ] [ 0.247908 0.5 0.725543 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Ni" "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" 5.09262901 "source-unit" "angstrom" } "b" { "source-value" 5.90023394 "source-unit" "angstrom" } "c" { "source-value" 5.09707156 "source-unit" "angstrom" } "beta" { "source-value" 109.78554884 "source-unit" "degree" } }