{ "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 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.709177 0.783586 0 ] [ 0.216414 0.709177 0 ] [ 0.783586 0.290823 0 ] [ 0.290823 0.216414 0 ] [ 0.5 0.5 0.751135 ] [ 0.5 0.5 0.248865 ] [ 0.209177 0.283586 0.5 ] [ 0.716414 0.209177 0.5 ] [ 0.283586 0.790823 0.5 ] [ 0.790823 0.716414 0.5 ] [ 0 0 0.251135 ] [ 0 0 0.748865 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Mo" "Mo" "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" 5.61510059936 "source-unit" "angstrom" } "c" { "source-value" 8.09303817651 "source-unit" "angstrom" } }