{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.312279 0.75 ] [ 0 0.687721 0.25 ] [ 0.5 0.215133 0.078223 ] [ 0.5 0.215133 0.421777 ] [ 0.5 0.784867 0.578223 ] [ 0.5 0.784867 0.921777 ] [ 0 0.221181 0.413071 ] [ 0.5 0.895403 0.392921 ] [ 0.5 0.895403 0.107079 ] [ 0 0.221181 0.086929 ] [ 0.5 0.104597 0.607079 ] [ 0 0.778819 0.586929 ] [ 0 0.778819 0.913071 ] [ 0.5 0.343866 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.104597 0.892921 ] [ 0.5 0.656134 0.75 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nb" "Nb" "Nb" "Nb" "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" 3.97929837001 "source-unit" "angstrom" } "b" { "source-value" 6.23495059001 "source-unit" "angstrom" } "c" { "source-value" 10.72756591 "source-unit" "angstrom" } }