{ "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 0.155367 ] [ 0.5 0.5 0.844633 ] [ 0.5 0.5 0 ] [ 0 0 0.655367 ] [ 0 0 0.344633 ] [ 0 0 0.5 ] [ 0 0 0.921035 ] [ 0 0 0.078965 ] [ 0.5 0.5 0.421035 ] [ 0.5 0.5 0.578965 ] [ 0 0 0.202843 ] [ 0 0 0.797157 ] [ 0.5 0.5 0.702843 ] [ 0.5 0.5 0.297157 ] [ 0 0.5 0.909974 ] [ 0.5 0 0.909974 ] [ 0 0.5 0.090026 ] [ 0 0 0 ] [ 0.5 0 0.090026 ] [ 0.5 0 0.409974 ] [ 0 0.5 0.409974 ] [ 0.5 0 0.590026 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.590026 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "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" 3.99982252443 "source-unit" "angstrom" } "c" { "source-value" 24.3332176459 "source-unit" "angstrom" } }