{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.247149 0.75 0.106234 ] [ 0.768618 0.975684 0.273901 ] [ 0.768618 0.524316 0.273901 ] [ 0.231382 0.475684 0.726099 ] [ 0.231382 0.024316 0.726099 ] [ 0.752851 0.25 0.893766 ] [ 0.205151 0.25 0.340831 ] [ 0.794849 0.75 0.659169 ] [ 0.287752 0.75 0.420621 ] [ 0.712248 0.25 0.579379 ] [ 0.274145 0.25 0.033984 ] [ 0.725855 0.75 0.966016 ] [ 0.656409 0.75 0.111953 ] [ 0.027365 0.25 0.070683 ] [ 0.458485 0.25 0.150021 ] [ 0.185894 0.946095 0.308102 ] [ 0.185894 0.553905 0.308102 ] [ 0.618026 0.75 0.444555 ] [ 0.827363 0.25 0.400912 ] [ 0.172637 0.75 0.599088 ] [ 0.381974 0.25 0.555445 ] [ 0.814106 0.446095 0.691898 ] [ 0.814106 0.053905 0.691898 ] [ 0.541515 0.75 0.849979 ] [ 0.972635 0.75 0.929317 ] [ 0.343591 0.25 0.888047 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Si" "Si" "C" "C" "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" 5.02306335 "source-unit" "angstrom" } "b" { "source-value" 6.44814587 "source-unit" "angstrom" } "c" { "source-value" 8.41370954 "source-unit" "angstrom" } "beta" { "source-value" 93.24610098 "source-unit" "degree" } }