{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.864039 0.25 ] [ 0.75 0.635961 0.75 ] [ 0.25 0.135961 0.75 ] [ 0.25 0.364039 0.25 ] [ 0.219458 0.75 0.5 ] [ 0.280542 0.75 0 ] [ 0.780542 0.25 0.5 ] [ 0.719458 0.25 0 ] [ 0.090974 0.083436 0.597667 ] [ 0.090974 0.416564 0.402333 ] [ 0.409026 0.083436 0.902333 ] [ 0.409026 0.416564 0.097667 ] [ 0.909026 0.916564 0.402333 ] [ 0.909026 0.583436 0.597667 ] [ 0.590974 0.916564 0.097667 ] [ 0.590974 0.583436 0.902333 ] [ 0.505836 0.145509 0.303797 ] [ 0.505836 0.354491 0.696203 ] [ 0.994164 0.145509 0.196203 ] [ 0.994164 0.354491 0.803797 ] [ 0.494164 0.854491 0.696203 ] [ 0.494164 0.645509 0.303797 ] [ 0.005836 0.854491 0.803797 ] [ 0.005836 0.645509 0.196203 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Bi" "Bi" "Bi" "Bi" "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" 5.05025164 "source-unit" "angstrom" } "b" { "source-value" 5.7373232 "source-unit" "angstrom" } "c" { "source-value" 11.88860305 "source-unit" "angstrom" } }