{ "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" [ [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.242077 0 0.723576 ] [ 0.021307 0.256557 0.272537 ] [ 0.021307 0.743443 0.272537 ] [ 0.232455 0.5 0.71383 ] [ 0.767545 0.5 0.28617 ] [ 0.978693 0.256557 0.727463 ] [ 0.978693 0.743443 0.727463 ] [ 0.757923 0 0.276424 ] [ 0.742077 0.5 0.723576 ] [ 0.521307 0.756557 0.272537 ] [ 0.521307 0.243443 0.272537 ] [ 0.732455 0 0.71383 ] [ 0.267545 0 0.28617 ] [ 0.478693 0.756557 0.727463 ] [ 0.478693 0.243443 0.727463 ] [ 0.257923 0.5 0.276424 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Cu" "Cu" "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" 10.04846043 "source-unit" "angstrom" } "b" { "source-value" 5.6800694 "source-unit" "angstrom" } "c" { "source-value" 5.71220043 "source-unit" "angstrom" } "beta" { "source-value" 122.4871149 "source-unit" "degree" } }