{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.139017 0.639017 0 ] [ 0.639017 0.860983 0 ] [ 0.360983 0.139017 0 ] [ 0.860983 0.360983 0 ] [ 0.372036 0.444142 0 ] [ 0.627964 0.555858 0 ] [ 0.555858 0.372036 0 ] [ 0.444142 0.627964 0 ] [ 0 0 0.307554 ] [ 0.5 0.5 0.692446 ] [ 0 0 0.692446 ] [ 0.5 0.5 0.307554 ] [ 0.564332 0.064332 0.5 ] [ 0.064332 0.435668 0.5 ] [ 0.935668 0.564332 0.5 ] [ 0.435668 0.935668 0.5 ] [ 0.055858 0.127964 0 ] [ 0.127964 0.944142 0 ] [ 0.872036 0.055858 0 ] [ 0.944142 0.872036 0 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.52122696 "source-unit" "angstrom" } "c" { "source-value" 4.20170622 "source-unit" "angstrom" } }