{ "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 0.670759 0 ] [ 0 0.329241 0 ] [ 0.5 0.170759 0 ] [ 0.5 0.829241 0 ] [ 0 0.835031 0.5 ] [ 0.5 0 0.5 ] [ 0 0.164969 0.5 ] [ 0.5 0.335031 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.664969 0.5 ] [ 0.244872 0 0.70329 ] [ 0.730031 0.177946 0.715372 ] [ 0.730031 0.822054 0.715372 ] [ 0.269969 0.177946 0.284628 ] [ 0.269969 0.822054 0.284628 ] [ 0.755128 0 0.29671 ] [ 0.744872 0.5 0.70329 ] [ 0.230031 0.677946 0.715372 ] [ 0.230031 0.322054 0.715372 ] [ 0.769969 0.677946 0.284628 ] [ 0.769969 0.322054 0.284628 ] [ 0.255128 0.5 0.29671 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 4.97210251 "source-unit" "angstrom" } "b" { "source-value" 8.60086534 "source-unit" "angstrom" } "c" { "source-value" 5.1216915 "source-unit" "angstrom" } "beta" { "source-value" 109.13215143 "source-unit" "degree" } }