{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.661568 0.082419 ] [ 0.25 0.161568 0.417581 ] [ 0.75 0.338432 0.917581 ] [ 0.75 0.838432 0.582419 ] [ 0.25 0.493714 0.693652 ] [ 0.75 0.506286 0.306348 ] [ 0.25 0.993714 0.806348 ] [ 0.75 0.006286 0.193652 ] [ 0.25 0.234587 0.083029 ] [ 0.75 0.765413 0.916971 ] [ 0.75 0.265413 0.583029 ] [ 0.25 0.734587 0.416971 ] [ 0.25 0.802509 0.562218 ] [ 0.75 0.197491 0.437782 ] [ 0.25 0.302509 0.937782 ] [ 0.75 0.697491 0.062218 ] [ 0.25 0.535311 0.417314 ] [ 0.75 0.464689 0.582686 ] [ 0.25 0.035311 0.082686 ] [ 0.75 0.964689 0.917314 ] [ 0.026722 0.299384 0.154762 ] [ 0.526722 0.700616 0.845238 ] [ 0.473278 0.799384 0.345238 ] [ 0.973278 0.200616 0.654762 ] [ 0.026722 0.799384 0.345238 ] [ 0.526722 0.200616 0.654762 ] [ 0.473278 0.299384 0.154762 ] [ 0.973278 0.700616 0.845238 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ba" "Ba" "Ba" "Ba" "P" "P" "P" "P" "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" 5.73751572 "source-unit" "angstrom" } "b" { "source-value" 7.84121792 "source-unit" "angstrom" } "c" { "source-value" 10.15060929 "source-unit" "angstrom" } }