Only seven other US women and a single Russian woman have participated in the 281 spacewalks taken since 1965.
The shuttle is expected to undock from the International Space Station sometime Tuesday and land at Cape Canaveral in Florida on Thursday.
Williams, 41, is also set to break astronaut Shannon Lucid's record for the longest stay in space ever by a woman -- 188 days and 4 hours -- on June 16, three days before Atlantis brings her back to Earth.
The ISS is expecting heavy traffic, something similar to rush hour.\n\n
Williams, who qualified for the Boston race by finishing the Houston Marathon last year in 3 hours, 29 minutes and 57 seconds, will run the race on a station treadmill.
Total spacewalking time for Sunday's walk was 7 hours, 11 minutes. And, now they are all set to enjoy the spectacular Super Bowl football game between the Chicago Bears and the Indianapolis Colts.
The first of a record four spacewalks planned during the next month is scheduled to begin 0900 hours CST (2030 hours IST) on Wednesday.
The Borisoglebsk also launched a successful ballistic missile test on Saturday, hitting a target on Kamchatka, the Defence Ministry said.
Williams said her long stay in space would definitely help her face the rigours of the long journey to Mars.
Sunita replaced German astronaut Thomas Reiter on the ISS, who will return to earth after a five-month sojourn in space.
Despite doubts about the take-off due to poor weather forecast and a two-hour delay before tanking operations, Discovery and its crew of seven lifted off from the Kennedy Space Center in Houston at 7:17 am IST.
NASA says the Discovery shuttle will be on the most complex mission yet -- to give the International Space Station a new electricity system. The STS-116 will drop off Sunita for a six-month stay at the space lab.
"It is a pretty emotional event for me to stay six months in space," Williams said. NASA telecast the undocking of Atlantis from the ISS as it circled around the station to collect video and imagery of the station.
The day she returns is being christened Sunita Williams Day at NASA.
As the shuttle, scheduled to dock at 3:38 pm (0108 IST on Monday), closes in on the ISS, the stage is set for changes at the station and for its crew members.
Sunita, 41, an accomplished marathoner, will be running as fast as eight mph during the 42.16 kilometres simulated run, restrained to the treadmill in a harness so she wouldn't float away.
Indian-American astronaut Sunita Williams, who plans to run the 26.2 mile Boston Marathon on board the International Space Station on April 16, finds it a challenging exercise.
Williams, who had carried a packet of samosas with her when she shot into space on December 11, 2006, said she would like to have more of the spicy snacks.
41-year-old Sunita, who became the second woman of Indian descent to venture into space after Kalpan Chawla, said she was all "excited" to go out and check the planet.
She is the second astronaut of Indian origin after Kalpana Chawla.
Trained to remain aboard the space station until July, Williams will also join space station commander Mike Lopez-Alegria for three spacewalks early in 2007.
Russian cosmonaut Yury Malenchenko, orbiting the Earth, will marry his earthbound American sweetheart on Sunday.
The presence of phosphine in Venus's thick atmosphere has revived the age-old question: Are we alone?
After 186 days in space on the International Space Station, it is time for European Space Agency astronaut Tim Peake, American Tim Copra and Russian Yuri Malenchenko to return to Earth. But their return is fraught with danger.
His remark comes days after National Aeronautics and Space Administration raised concerns about the spread of debris from the Anti-Satellite Test test India conducted on March 27.
The eight active NASA astronauts and one former astronaut-turned-corporate crew member will launch on Boeing CST-100 Starliner and SpaceX Dragoncapsules to the International Space Station beginning in 2019.
FIFA boss Sepp Blatter unveiled the 2018 World Cup logo with cosmonauts in Moscow, which has a strong resemblance to an alien.
Here's a glimpse of all that happened around the world last week in images.
NASA says SpaceX was conducting a test firing of its unmanned rocket when the blast occurred.
Enthused over its successful launch of GSLV D5 with GSAT-14 communication satellite from Satish Dhawan Space Centre in Sriharikota on Sunday, the Indian Space Research Organisation is planning a series of GSLV launches and an experimental launch of the advanced version GSLV Mark III soon from the spaceport.
A National Aeronautics and Space Administration astronaut has taken an incredible selfie from space with Earth in the background while performing repairs on the International Space Station on Christmas Eve.
The Indian-American astronaut will fly the first space capsules built by private companies, SpaceX and Boeing.
A three-member crew, including British astronaut Tim Peake, on Saturday landed on Earth at the end of a seven-hour return journey after completing a historic six-month mission on the International Space Station.
'The location was the central part of the southern pacific and most part of the Tiangong-1 was burnt up on the re-entry.'
Monday's moon is the brightest moon in almost 69 years.