{ "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" [ [ 0.842193 0 0.409859 ] [ 0.157807 0 0.590141 ] [ 0.941105 0 0.1346 ] [ 0.058895 0 0.8654 ] [ 0.342193 0.5 0.409859 ] [ 0.657807 0.5 0.590141 ] [ 0.441105 0.5 0.1346 ] [ 0.558895 0.5 0.8654 ] [ 0.162262 0.5 0.205444 ] [ 0.837738 0.5 0.794556 ] [ 0.106569 0 0.345829 ] [ 0.893431 0 0.654171 ] [ 0.219515 0 0.06882 ] [ 0.780485 0 0.93118 ] [ 0.662262 0 0.205444 ] [ 0.337738 0 0.794556 ] [ 0.606569 0.5 0.345829 ] [ 0.393431 0.5 0.654171 ] [ 0.719515 0.5 0.06882 ] [ 0.280485 0.5 0.93118 ] [ 0.780239 0.5 0.245788 ] [ 0.060437 0.5 0.442795 ] [ 0.098897 0.5 0.029767 ] [ 0.901103 0.5 0.970233 ] [ 0.023549 0.5 0.704361 ] [ 0.976451 0.5 0.295639 ] [ 0.939563 0.5 0.557205 ] [ 0.219761 0.5 0.754212 ] [ 0.280239 0 0.245788 ] [ 0.560437 0 0.442795 ] [ 0.598897 0 0.029767 ] [ 0.401103 0 0.970233 ] [ 0.523549 0 0.704361 ] [ 0.476451 0 0.295639 ] [ 0.439563 0 0.557205 ] [ 0.719761 0 0.754212 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.1481948213 "source-unit" "angstrom" } "b" { "source-value" 4.63811738 "source-unit" "angstrom" } "c" { "source-value" 15.6953856567 "source-unit" "angstrom" } "beta" { "source-value" 94.9171868609 "source-unit" "degree" } }