{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.635201 0.135201 0.376533 ] [ 0.135201 0.635201 0.623467 ] [ 0.364799 0.864799 0.376533 ] [ 0.135201 0.364799 0.623467 ] [ 0.864799 0.635201 0.623467 ] [ 0.635201 0.864799 0.376533 ] [ 0.364799 0.135201 0.376533 ] [ 0.864799 0.364799 0.623467 ] [ 0 0.288347 0.848929 ] [ 0.805003 0 0.389134 ] [ 0.194997 0 0.389134 ] [ 0.694997 0.5 0.610866 ] [ 0.788347 0.5 0.848929 ] [ 0.711653 0 0.151071 ] [ 0.5 0 0.522987 ] [ 0.288347 0 0.151071 ] [ 0.5 0.305003 0.389134 ] [ 0.305003 0.5 0.610866 ] [ 0.5 0.788347 0.151071 ] [ 0 0.805003 0.610866 ] [ 0 0.5 0.477013 ] [ 0.5 0.694997 0.389134 ] [ 0.5 0.211653 0.151071 ] [ 0 0.194997 0.610866 ] [ 0.211653 0.5 0.848929 ] [ 0 0.711653 0.848929 ] [ 0.301188 0.801188 0.710089 ] [ 0.801188 0.698812 0.289911 ] [ 0.698812 0.198812 0.710089 ] [ 0.801188 0.301188 0.289911 ] [ 0.198812 0.301188 0.289911 ] [ 0.301188 0.198812 0.710089 ] [ 0.698812 0.801188 0.710089 ] [ 0.198812 0.698812 0.289911 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 11.00248781 "source-unit" "angstrom" } "c" { "source-value" 7.3344297 "source-unit" "angstrom" } }