{ "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 0.108093 0.25 ] [ 0.5 0.891907 0.75 ] [ 0 0.608093 0.25 ] [ 0 0.391907 0.75 ] [ 0 0.179127 0.75 ] [ 0 0.820873 0.25 ] [ 0.5 0.679127 0.75 ] [ 0.5 0.320873 0.25 ] [ 0 0.95666 0.25 ] [ 0 0.04334 0.75 ] [ 0.5 0.249941 0.75 ] [ 0.5 0.750059 0.25 ] [ 0.5 0.45666 0.25 ] [ 0.5 0.54334 0.75 ] [ 0 0.749941 0.75 ] [ 0 0.250059 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86309580557 "source-unit" "angstrom" } "b" { "source-value" 19.620813787 "source-unit" "angstrom" } "c" { "source-value" 4.69183336 "source-unit" "angstrom" } }