{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.608017 ] [ 0 0.25 0.891983 ] [ 0 0.75 0.108017 ] [ 0.5 0.75 0.391983 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.271047 0.75 0.974308 ] [ 0.5 0.967372 0.745189 ] [ 0.5 0.532628 0.745189 ] [ 0.728953 0.75 0.974308 ] [ 0.771047 0.75 0.525692 ] [ 0 0.532628 0.754811 ] [ 0 0.967372 0.754811 ] [ 0.228953 0.75 0.525692 ] [ 0.771047 0.25 0.474308 ] [ 0 0.467372 0.245189 ] [ 0 0.032628 0.245189 ] [ 0.228953 0.25 0.474308 ] [ 0.271047 0.25 0.025692 ] [ 0.5 0.032628 0.254811 ] [ 0.5 0.467372 0.254811 ] [ 0.728953 0.25 0.025692 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Nb" "Nb" "Nb" "Nb" "Fe" "Fe" "Fe" "Fe" "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" 6.21311307 "source-unit" "angstrom" } "b" { "source-value" 6.23338296 "source-unit" "angstrom" } "c" { "source-value" 8.88588341 "source-unit" "angstrom" } }