{ "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 0.338869 0.5 ] [ 0 0.661131 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.5 0.838869 0.5 ] [ 0.5 0.161131 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.167106 0 ] [ 0 0.832894 0 ] [ 0.5 0.667106 0 ] [ 0.5 0.332894 0 ] [ 0.754169 0.821336 0.223935 ] [ 0.245831 0.821336 0.776065 ] [ 0.219095 0 0.227663 ] [ 0.780905 0 0.772337 ] [ 0.754169 0.178664 0.223935 ] [ 0.245831 0.178664 0.776065 ] [ 0.254169 0.321336 0.223935 ] [ 0.745831 0.321336 0.776065 ] [ 0.719095 0.5 0.227663 ] [ 0.280905 0.5 0.772337 ] [ 0.254169 0.678664 0.223935 ] [ 0.745831 0.678664 0.776065 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "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" 5.01090383386 "source-unit" "angstrom" } "b" { "source-value" 8.66290368365 "source-unit" "angstrom" } "c" { "source-value" 5.09222467543 "source-unit" "angstrom" } "beta" { "source-value" 109.476440527 "source-unit" "degree" } }