{ "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" [ [ 0.772991 0.022557 0.191253 ] [ 0.772991 0.477443 0.191253 ] [ 0.227009 0.522557 0.808747 ] [ 0.227009 0.977443 0.808747 ] [ 0.236514 0.25 0.358808 ] [ 0.763486 0.75 0.641192 ] [ 0.277999 0.25 0.059547 ] [ 0.722001 0.75 0.940453 ] [ 0.291592 0.75 0.421779 ] [ 0.708408 0.25 0.578221 ] [ 0.739025 0.75 0.085047 ] [ 0.065567 0.25 0.138964 ] [ 0.498686 0.25 0.137168 ] [ 0.187869 0.932931 0.337913 ] [ 0.187869 0.567069 0.337913 ] [ 0.786743 0.25 0.41825 ] [ 0.583723 0.75 0.422998 ] [ 0.416277 0.25 0.577002 ] [ 0.213257 0.75 0.58175 ] [ 0.812131 0.432931 0.662087 ] [ 0.812131 0.067069 0.662087 ] [ 0.501314 0.75 0.862832 ] [ 0.934433 0.75 0.861036 ] [ 0.260975 0.25 0.914953 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "C" "C" "S" "S" "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" 5.15187589 "source-unit" "angstrom" } "b" { "source-value" 6.46016496 "source-unit" "angstrom" } "c" { "source-value" 8.83615968 "source-unit" "angstrom" } "beta" { "source-value" 92.58286616 "source-unit" "degree" } }