{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.11666 0.654563 0.794065 ] [ 0.11666 0.845437 0.294065 ] [ 0.88334 0.154563 0.705935 ] [ 0.88334 0.345437 0.205935 ] [ 0.51014 0.852472 0.845983 ] [ 0.48986 0.352472 0.654017 ] [ 0.51014 0.647528 0.345983 ] [ 0.48986 0.147528 0.154017 ] [ 0.205189 0.182107 0.92644 ] [ 0.205189 0.317893 0.42644 ] [ 0.794811 0.682107 0.57356 ] [ 0.794811 0.817893 0.07356 ] [ 0.079541 0.295924 0.844393 ] [ 0.079541 0.204076 0.344393 ] [ 0.256206 0.941749 0.910945 ] [ 0.256206 0.558251 0.410945 ] [ 0.288735 0.202935 0.52986 ] [ 0.386934 0.630707 0.730211 ] [ 0.288735 0.297065 0.02986 ] [ 0.386934 0.869293 0.230211 ] [ 0.613066 0.130707 0.769789 ] [ 0.711265 0.702935 0.97014 ] [ 0.613066 0.369293 0.269789 ] [ 0.711265 0.797065 0.47014 ] [ 0.743794 0.441749 0.589055 ] [ 0.743794 0.058251 0.089055 ] [ 0.920459 0.795924 0.655607 ] [ 0.920459 0.704076 0.155607 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "C" "C" "C" "C" "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" 6.58637924 "source-unit" "angstrom" } "b" { "source-value" 5.26563691 "source-unit" "angstrom" } "c" { "source-value" 10.61178272 "source-unit" "angstrom" } "beta" { "source-value" 98.25408298 "source-unit" "degree" } }