{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.604482 0.25 ] [ 0 0.746934 0.75 ] [ 0.25 0.25 0 ] [ 0 0.253066 0.25 ] [ 0 0.395518 0.75 ] [ 0.25 0.75 0.5 ] [ 0.5 0.104482 0.25 ] [ 0.5 0.246934 0.75 ] [ 0.75 0.75 0 ] [ 0.5 0.753066 0.25 ] [ 0.5 0.895518 0.75 ] [ 0.75 0.25 0.5 ] [ 0.759482 0.082932 0.99901 ] [ 0.759482 0.917068 0.49901 ] [ 0.240518 0.082932 0.50099 ] [ 0.240518 0.917068 0.00099 ] [ 0.259482 0.582932 0.99901 ] [ 0.259482 0.417068 0.49901 ] [ 0.740518 0.582932 0.50099 ] [ 0.740518 0.417068 0.00099 ] [ 0.881164 0.077829 0.368583 ] [ 0.135405 0.745391 0.115155 ] [ 0.618049 0.075909 0.629589 ] [ 0.864595 0.745391 0.384845 ] [ 0.881164 0.922171 0.868583 ] [ 0.381951 0.075909 0.870411 ] [ 0.618049 0.924091 0.129589 ] [ 0.118836 0.077829 0.131417 ] [ 0.135405 0.254609 0.615155 ] [ 0.381951 0.924091 0.370411 ] [ 0.864595 0.254609 0.884845 ] [ 0.118836 0.922171 0.631417 ] [ 0.381164 0.577829 0.368583 ] [ 0.635405 0.245391 0.115155 ] [ 0.118049 0.575909 0.629589 ] [ 0.364595 0.245391 0.384845 ] [ 0.381164 0.422171 0.868583 ] [ 0.881951 0.575909 0.870411 ] [ 0.118049 0.424091 0.129589 ] [ 0.618836 0.577829 0.131417 ] [ 0.635405 0.754609 0.615155 ] [ 0.881951 0.424091 0.370411 ] [ 0.364595 0.754609 0.884845 ] [ 0.618836 0.422171 0.631417 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "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" 6.17076798 "source-unit" "angstrom" } "b" { "source-value" 10.6570839 "source-unit" "angstrom" } "c" { "source-value" 6.12883187 "source-unit" "angstrom" } "beta" { "source-value" 110.3543308 "source-unit" "degree" } }