{ "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 0.815932 ] [ 0.5 0.5 0.184068 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.315932 ] [ 0 0 0.684068 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.132249 ] [ 0 0 0.867751 ] [ 0.5 0.5 0.632249 ] [ 0.5 0.5 0.367751 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.10703821154 "source-unit" "angstrom" } "c" { "source-value" 18.0578115503 "source-unit" "angstrom" } }