{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.688939 0.311061 0.155533 ] [ 0.188939 0.188939 0.344467 ] [ 0.811061 0.811061 0.344467 ] [ 0.311061 0.688939 0.155533 ] [ 0.188939 0.811061 0.655533 ] [ 0.688939 0.688939 0.844467 ] [ 0.311061 0.311061 0.844467 ] [ 0.811061 0.188939 0.655533 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ag" "Ag" "Ag" "Ag" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.86225491 "source-unit" "angstrom" } "c" { "source-value" 8.30176724 "source-unit" "angstrom" } }