{ "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 0.5 0.844609 ] [ 0.5 0.5 0.155391 ] [ 0 0 0.344609 ] [ 0 0 0.655391 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.141545 ] [ 0 0 0.858455 ] [ 0.5 0.5 0.641545 ] [ 0.5 0.5 0.358455 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22105816 "source-unit" "angstrom" } "c" { "source-value" 13.05496115 "source-unit" "angstrom" } }