{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.473343 0.579032 0.75 ] [ 0.973343 0.920968 0.25 ] [ 0.026657 0.079032 0.75 ] [ 0.526657 0.420968 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.816924 0.195055 0.44469 ] [ 0.316924 0.304945 0.55531 ] [ 0.683076 0.695055 0.05531 ] [ 0.183076 0.804945 0.94469 ] [ 0.183076 0.804945 0.55531 ] [ 0.683076 0.695055 0.44469 ] [ 0.316924 0.304945 0.94469 ] [ 0.816924 0.195055 0.05531 ] [ 0.384146 0.038329 0.25 ] [ 0.884146 0.461671 0.75 ] [ 0.115854 0.538329 0.25 ] [ 0.615854 0.961671 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Rh" "Rh" "Rh" "Rh" "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" 5.4095482 "source-unit" "angstrom" } "b" { "source-value" 5.90936374 "source-unit" "angstrom" } "c" { "source-value" 7.84659213 "source-unit" "angstrom" } }