{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.750117 0.5 0.00038 ] [ 0.749883 0 0.99962 ] [ 0 0.749836 0 ] [ 0 0.250164 0 ] [ 0.250117 0 0.00038 ] [ 0.249883 0.5 0.99962 ] [ 0.5 0.249836 0 ] [ 0.5 0.750164 0 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.62879 0.5 0.274251 ] [ 0.620802 0.749677 0.725806 ] [ 0.629223 0 0.27546 ] [ 0.620802 0.250323 0.725806 ] [ 0.879198 0.750323 0.274194 ] [ 0.87121 0 0.725749 ] [ 0.879198 0.249677 0.274194 ] [ 0.870777 0.5 0.72454 ] [ 0.12879 0 0.274251 ] [ 0.120802 0.249677 0.725806 ] [ 0.129223 0.5 0.27546 ] [ 0.120802 0.750323 0.725806 ] [ 0.379198 0.250323 0.274194 ] [ 0.37121 0.5 0.725749 ] [ 0.379198 0.749677 0.274194 ] [ 0.370777 0 0.72454 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ga" "Ga" "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" 10.26784667 "source-unit" "angstrom" } "b" { "source-value" 5.92792402 "source-unit" "angstrom" } "c" { "source-value" 5.13779493 "source-unit" "angstrom" } "beta" { "source-value" 109.44958212 "source-unit" "degree" } }