{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.934523 0.75 ] [ 0.5 0.065477 0.25 ] [ 0 0.434523 0.75 ] [ 0 0.565477 0.25 ] [ 0.5 0.192082 0.592857 ] [ 0.5 0.807918 0.407143 ] [ 0.5 0.192082 0.907143 ] [ 0.5 0.807918 0.092857 ] [ 0 0.692082 0.592857 ] [ 0 0.307918 0.407143 ] [ 0 0.692082 0.907143 ] [ 0 0.307918 0.092857 ] [ 0 0.916012 0.963444 ] [ 0 0.083988 0.036556 ] [ 0 0.083988 0.463444 ] [ 0 0.154717 0.75 ] [ 0 0.845283 0.25 ] [ 0 0.916012 0.536556 ] [ 0.5 0.416012 0.963444 ] [ 0.5 0.583988 0.036556 ] [ 0.5 0.583988 0.463444 ] [ 0.5 0.654717 0.75 ] [ 0.5 0.345283 0.25 ] [ 0.5 0.416012 0.536556 ] [ 0.5 0.831661 0.569399 ] [ 0.5 0.168339 0.430601 ] [ 0.5 0.168339 0.069399 ] [ 0.5 0.831661 0.930601 ] [ 0.5 0.761825 0.25 ] [ 0.5 0.238175 0.75 ] [ 0 0.938099 0.113302 ] [ 0 0.938099 0.386698 ] [ 0 0.061901 0.886698 ] [ 0 0.061901 0.613302 ] [ 0 0.331661 0.569399 ] [ 0 0.668339 0.430601 ] [ 0 0.668339 0.069399 ] [ 0 0.331661 0.930601 ] [ 0 0.261825 0.25 ] [ 0 0.738175 0.75 ] [ 0.5 0.438099 0.113302 ] [ 0.5 0.438099 0.386698 ] [ 0.5 0.561901 0.886698 ] [ 0.5 0.561901 0.613302 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.93311573 "source-unit" "angstrom" } "b" { "source-value" 13.91361866 "source-unit" "angstrom" } "c" { "source-value" 16.43336022 "source-unit" "angstrom" } }