{ "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" [ [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.783401 0.5 0.766181 ] [ 0.976225 0.242524 0.21019 ] [ 0.976225 0.757476 0.21019 ] [ 0.216599 0.5 0.233819 ] [ 0.209381 0.5 0.680835 ] [ 0.023775 0.757476 0.78981 ] [ 0.023775 0.242524 0.78981 ] [ 0.790619 0.5 0.319165 ] [ 0.283401 0 0.766181 ] [ 0.476225 0.742524 0.21019 ] [ 0.476225 0.257476 0.21019 ] [ 0.716599 0 0.233819 ] [ 0.709381 0 0.680835 ] [ 0.523775 0.257476 0.78981 ] [ 0.523775 0.742524 0.78981 ] [ 0.290619 0 0.319165 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Nb" "Nb" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 11.08643292 "source-unit" "angstrom" } "b" { "source-value" 5.73760685 "source-unit" "angstrom" } "c" { "source-value" 5.92263203 "source-unit" "angstrom" } "beta" { "source-value" 120.85504502 "source-unit" "degree" } }