{ "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" [ [ 0.441122 0.737596 0.304699 ] [ 0.558878 0.237596 0.195301 ] [ 0.441122 0.762404 0.804699 ] [ 0.558878 0.262404 0.695301 ] [ 0.263847 0.764723 0.029066 ] [ 0.736153 0.264723 0.470934 ] [ 0.263847 0.735277 0.529066 ] [ 0.736153 0.235277 0.970934 ] [ 0.17202 0.2414 0.147855 ] [ 0.682686 0.779791 0.616055 ] [ 0.82798 0.7414 0.352145 ] [ 0.682686 0.720209 0.116055 ] [ 0.317314 0.279791 0.883945 ] [ 0.17202 0.2586 0.647855 ] [ 0.317314 0.220209 0.383945 ] [ 0.82798 0.7586 0.852145 ] [ 0.257286 0.974801 0.159675 ] [ 0.288042 0.454891 0.139146 ] [ 0.477865 0.293353 0.368623 ] [ 0.684031 0.069513 0.592028 ] [ 0.842324 0.717087 0.737478 ] [ 0.709033 0.607366 0.534749 ] [ 0.014432 0.742389 0.942693 ] [ 0.522135 0.793353 0.131377 ] [ 0.711958 0.954891 0.360854 ] [ 0.742714 0.474801 0.340325 ] [ 0.985568 0.242389 0.557307 ] [ 0.684031 0.430487 0.092028 ] [ 0.290967 0.107366 0.965251 ] [ 0.157676 0.217087 0.762522 ] [ 0.842324 0.782913 0.237478 ] [ 0.709033 0.892634 0.034749 ] [ 0.315969 0.569513 0.907972 ] [ 0.014432 0.757611 0.442693 ] [ 0.257286 0.525199 0.659675 ] [ 0.288042 0.045109 0.639146 ] [ 0.477865 0.206647 0.868623 ] [ 0.985568 0.257611 0.057307 ] [ 0.290967 0.392634 0.465251 ] [ 0.157676 0.282913 0.262522 ] [ 0.315969 0.930487 0.407972 ] [ 0.522135 0.706647 0.631377 ] [ 0.711958 0.545109 0.860854 ] [ 0.742714 0.025199 0.840325 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.67855222 "source-unit" "angstrom" } "b" { "source-value" 5.17964617 "source-unit" "angstrom" } "c" { "source-value" 13.48411389 "source-unit" "angstrom" } "beta" { "source-value" 117.15431387 "source-unit" "degree" } }