{ "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 0.352717 0.5 ] [ 0 0.647283 0.5 ] [ 0.5 0.852717 0.5 ] [ 0.5 0.147283 0.5 ] [ 0 0.107824 0 ] [ 0.861252 0 0.835214 ] [ 0 0.892176 0 ] [ 0.138748 0 0.164786 ] [ 0.5 0.607824 0 ] [ 0.361252 0.5 0.835214 ] [ 0.5 0.392176 0 ] [ 0.638748 0.5 0.164786 ] [ 0.306528 0 0.36265 ] [ 0 0.76106 0 ] [ 0 0.23894 0 ] [ 0.693472 0 0.63735 ] [ 0.806528 0.5 0.36265 ] [ 0.5 0.26106 0 ] [ 0.5 0.73894 0 ] [ 0.193472 0.5 0.63735 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "C" "C" "C" "C" "C" "C" "C" "C" "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" 7.24846831875 "source-unit" "angstrom" } "b" { "source-value" 9.66170610697 "source-unit" "angstrom" } "c" { "source-value" 3.38044040104 "source-unit" "angstrom" } "beta" { "source-value" 102.003896975 "source-unit" "degree" } }