{ "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 0.580596 0.096545 ] [ 0.75 0.419404 0.903455 ] [ 0.25 0.080596 0.403455 ] [ 0.75 0.919404 0.596545 ] [ 0.75 0.440131 0.390574 ] [ 0.25 0.559869 0.609426 ] [ 0.75 0.940131 0.109426 ] [ 0.25 0.059869 0.890574 ] [ 0.75 0.761172 0.330601 ] [ 0.25 0.238828 0.669399 ] [ 0.75 0.261172 0.169399 ] [ 0.25 0.738828 0.830601 ] [ 0.25 0.972985 0.715987 ] [ 0.75 0.027015 0.284013 ] [ 0.25 0.472985 0.784013 ] [ 0.75 0.527015 0.215987 ] [ 0.25 0.872114 0.471376 ] [ 0.75 0.127886 0.528624 ] [ 0.25 0.372114 0.028624 ] [ 0.75 0.627886 0.971376 ] [ 0.25 0.79503 0.161708 ] [ 0.75 0.20497 0.838292 ] [ 0.25 0.29503 0.338292 ] [ 0.75 0.70497 0.661708 ] [ 0.75 0.909994 0.923265 ] [ 0.25 0.090006 0.076735 ] [ 0.75 0.409994 0.576735 ] [ 0.25 0.590006 0.423265 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Ba" "Ba" "Ba" "Ba" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.50330776 "source-unit" "angstrom" } "b" { "source-value" 13.84678124 "source-unit" "angstrom" } "c" { "source-value" 16.36556044 "source-unit" "angstrom" } }