{ "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 0.360126 0.25 ] [ 0.5 0.139874 0.75 ] [ 0.5 0.860126 0.25 ] [ 0 0.639874 0.75 ] [ 0.765561 0.125021 0.749187 ] [ 0.734439 0.374979 0.250813 ] [ 0.234439 0.125021 0.750813 ] [ 0.765561 0.874979 0.249187 ] [ 0.265561 0.625021 0.749187 ] [ 0.234439 0.874979 0.250813 ] [ 0.734439 0.625021 0.750813 ] [ 0.265561 0.374979 0.249187 ] [ 0.848923 0.387046 0.929041 ] [ 0.644962 0.364733 0.592497 ] [ 0.651077 0.112954 0.070959 ] [ 0.144962 0.135267 0.092497 ] [ 0.348923 0.112954 0.429041 ] [ 0.855038 0.135267 0.407503 ] [ 0.855038 0.864733 0.907503 ] [ 0.651077 0.887046 0.570959 ] [ 0.348923 0.887046 0.929041 ] [ 0.144962 0.864733 0.592497 ] [ 0.151077 0.612954 0.070959 ] [ 0.644962 0.635267 0.092497 ] [ 0.848923 0.612954 0.429041 ] [ 0.355038 0.635267 0.407503 ] [ 0.355038 0.364733 0.907503 ] [ 0.151077 0.387046 0.570959 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 9.99204426 "source-unit" "angstrom" } "b" { "source-value" 5.87278243 "source-unit" "angstrom" } "c" { "source-value" 5.08743607 "source-unit" "angstrom" } "beta" { "source-value" 90.34458156 "source-unit" "degree" } }