{ "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 0.75 0.362171 ] [ 0.5 0.75 0.137829 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.25 0.862171 ] [ 0 0.25 0.637829 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.5 0.003411 0.269184 ] [ 0.5 0.496589 0.269184 ] [ 0 0.003411 0.230816 ] [ 0.265903 0.25 0.516533 ] [ 0.734097 0.25 0.516533 ] [ 0 0.496589 0.230816 ] [ 0.265903 0.75 0.483467 ] [ 0.734097 0.75 0.483467 ] [ 0 0.503411 0.769184 ] [ 0 0.996589 0.769184 ] [ 0.5 0.503411 0.730816 ] [ 0.765903 0.75 0.016533 ] [ 0.234097 0.75 0.016533 ] [ 0.5 0.996589 0.730816 ] [ 0.765903 0.25 0.983467 ] [ 0.234097 0.25 0.983467 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "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" 5.58745608 "source-unit" "angstrom" } "b" { "source-value" 5.67720627 "source-unit" "angstrom" } "c" { "source-value" 8.49370872 "source-unit" "angstrom" } }