  We investigate the structural, electronic, and magnetic properties of
stoichiometric LiFeAs by using state-of-the-arts first-principles method. We
find the magnetic ground-state by comparing the total energies among all the
possible magnetic orders. Our calculated internal positions of Li and As are in
good agreement with experiment. Our results show that stoichiometric LiFeAs has
almost the same striped antiferromagnetic spin order as other FeAs-based parent
compounds and tetragonal FeSe do, and the experimental fact that no magnetic
phase transition has been observed at finite temperature is attributed to the
tiny inter-layer spin coupling.
