{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.751957 0.366062 0.869 ] [ 0.866062 0.748043 0.631 ] [ 0.748043 0.133938 0.369 ] [ 0.5 0 0.75 ] [ 0.133938 0.251957 0.631 ] [ 0.251957 0.866062 0.369 ] [ 0.366062 0.248043 0.131 ] [ 0.248043 0.633938 0.869 ] [ 0 0.5 0.25 ] [ 0.633938 0.751957 0.131 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.178954 0.569804 0.548837 ] [ 0.42469 0.315722 0.81623 ] [ 0.069804 0.321046 0.951163 ] [ 0.57531 0.684278 0.81623 ] [ 0.684278 0.42469 0.18377 ] [ 0.815722 0.07531 0.68377 ] [ 0.430196 0.178954 0.451163 ] [ 0.321046 0.930196 0.048837 ] [ 0.678954 0.069804 0.048837 ] [ 0.92469 0.815722 0.31623 ] [ 0.569804 0.821046 0.451163 ] [ 0.07531 0.184278 0.31623 ] [ 0.184278 0.92469 0.68377 ] [ 0.315722 0.57531 0.18377 ] [ 0.930196 0.678954 0.951163 ] [ 0.821046 0.430196 0.548837 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "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" 8.47126609981 "source-unit" "angstrom" } "c" { "source-value" 8.53722404032 "source-unit" "angstrom" } }