{ "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 ] [ 0.827266 0 0.671298 ] [ 0.672734 0.5 0.328702 ] [ 0.5 0 0 ] [ 0.327266 0.5 0.671298 ] [ 0.172734 0 0.328702 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.83163 0 0.161889 ] [ 0.66837 0.5 0.838111 ] [ 0.33163 0.5 0.161889 ] [ 0.16837 0 0.838111 ] [ 0.843432 0.5 0.410574 ] [ 0.667972 0 0.067572 ] [ 0.656568 0 0.589426 ] [ 0.997208 0 0.725746 ] [ 0.002792 0 0.274254 ] [ 0.832028 0.5 0.932428 ] [ 0.343432 0 0.410574 ] [ 0.167972 0.5 0.067572 ] [ 0.156568 0.5 0.589426 ] [ 0.497208 0.5 0.725746 ] [ 0.502792 0.5 0.274254 ] [ 0.332028 0 0.932428 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "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" 12.92765571 "source-unit" "angstrom" } "b" { "source-value" 2.91601883 "source-unit" "angstrom" } "c" { "source-value" 5.8722371 "source-unit" "angstrom" } "beta" { "source-value" 103.15290113 "source-unit" "degree" } }