{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0.179686 ] [ 0.5 0.5 0.820314 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.679686 ] [ 0 0 0.320314 ] [ 0.5 0 0.5 ] [ 0 0 0.865899 ] [ 0 0 0.134101 ] [ 0.5 0.5 0.365899 ] [ 0.5 0.5 0.634101 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.38214371801 "source-unit" "angstrom" } "c" { "source-value" 19.3385999688 "source-unit" "angstrom" } }