{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.000265 ] [ 0.5 0.5 0.500265 ] [ 0 0.5 0.750032 ] [ 0.5 0.5 0.912539 ] [ 0.5 0 0.750032 ] [ 0.5 0 0.250032 ] [ 0 0 0.412539 ] [ 0 0.5 0.250032 ] [ 0.5 0.5 0.149133 ] [ 0 0 0.649133 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.96768618916 "source-unit" "angstrom" } "c" { "source-value" 11.3678026549 "source-unit" "angstrom" } }