{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.294898 0.683713 0.924538 ] [ 0.205102 0.183713 0.075462 ] [ 0.705102 0.316287 0.075462 ] [ 0.794898 0.816287 0.924538 ] [ 0.195642 0.907998 0.560241 ] [ 0.304358 0.407998 0.439759 ] [ 0.804358 0.092002 0.439759 ] [ 0.695642 0.592002 0.560241 ] [ 0.390396 0.163575 0.867219 ] [ 0.109604 0.663575 0.132781 ] [ 0.609604 0.836425 0.132781 ] [ 0.890396 0.336425 0.867219 ] [ 0.413842 0.889011 0.342811 ] [ 0.086158 0.389011 0.657189 ] [ 0.586158 0.110989 0.657189 ] [ 0.913842 0.610989 0.342811 ] [ 0.990794 0.868796 0.741705 ] [ 0.509206 0.368796 0.258295 ] [ 0.009206 0.131204 0.258295 ] [ 0.490794 0.631204 0.741705 ] [ 0.845442 0.003621 0.721274 ] [ 0.654558 0.503621 0.278726 ] [ 0.154558 0.996379 0.278726 ] [ 0.345442 0.496379 0.721274 ] [ 0.469048 0.739315 0.587914 ] [ 0.030952 0.239315 0.412086 ] [ 0.530952 0.260685 0.412086 ] [ 0.969048 0.760685 0.587914 ] [ 0.132826 0.023178 0.798218 ] [ 0.367174 0.523178 0.201782 ] [ 0.867174 0.976822 0.201782 ] [ 0.632826 0.476822 0.798218 ] [ 0.014251 0.678432 0.859508 ] [ 0.485749 0.178432 0.140492 ] [ 0.985749 0.321568 0.140492 ] [ 0.514251 0.821568 0.859508 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "Ge" "Ge" "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" 11.0866068194 "source-unit" "angstrom" } "b" { "source-value" 6.93862875 "source-unit" "angstrom" } "c" { "source-value" 11.1285956911 "source-unit" "angstrom" } "beta" { "source-value" 111.80922313 "source-unit" "degree" } }