{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.237327 ] [ 0.5 0.5 0.262673 ] [ 0 0 0.762673 ] [ 0.5 0.5 0.737327 ] [ 0.189367 0.700347 0 ] [ 0.799653 0.310633 0.5 ] [ 0.810633 0.299653 0 ] [ 0.200347 0.689367 0.5 ] [ 0.310633 0.200347 0.5 ] [ 0.689367 0.799653 0.5 ] [ 0.299653 0.189367 0 ] [ 0.700347 0.810633 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sn" "Sn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.47987625 "source-unit" "angstrom" } "c" { "source-value" 11.32189068 "source-unit" "angstrom" } }