{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.759872 ] [ 0.5 0.5 0.240128 ] [ 0.297737 0.22284 0 ] [ 0.702263 0.77716 0 ] [ 0.22284 0.702263 0 ] [ 0.77716 0.297737 0 ] [ 0 0 0.259872 ] [ 0 0 0.740128 ] [ 0.797737 0.72284 0.5 ] [ 0.202263 0.27716 0.5 ] [ 0.72284 0.202263 0.5 ] [ 0.27716 0.797737 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Zn" "Zn" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.64448136691 "source-unit" "angstrom" } "c" { "source-value" 8.0939926688 "source-unit" "angstrom" } }