{ "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" [ [ 0.002837 0.382856 0.762844 ] [ 0.497163 0.882856 0.237156 ] [ 0.997163 0.617144 0.237156 ] [ 0.502837 0.117144 0.762844 ] [ 0.372426 0.42172 0.074744 ] [ 0.127574 0.92172 0.925256 ] [ 0.627574 0.57828 0.925256 ] [ 0.872426 0.07828 0.074744 ] [ 0.314632 0.649742 0.564386 ] [ 0.185368 0.149742 0.435614 ] [ 0.685368 0.350258 0.435614 ] [ 0.814632 0.850258 0.564386 ] [ 0.886388 0.103816 0.378463 ] [ 0.613612 0.603816 0.621537 ] [ 0.113612 0.896184 0.621537 ] [ 0.386388 0.396184 0.378463 ] [ 0.8287 0.832006 0.861721 ] [ 0.6713 0.332006 0.138279 ] [ 0.1713 0.167994 0.138279 ] [ 0.3287 0.667994 0.861721 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.74912959285 "source-unit" "angstrom" } "b" { "source-value" 6.77461073 "source-unit" "angstrom" } "c" { "source-value" 7.9833394148 "source-unit" "angstrom" } "beta" { "source-value" 91.294785019 "source-unit" "degree" } }