4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=46.74631234874397 stress="-10.026818471735014 -0.7231082119201978 5.4664142747368 -0.7231082119201978 -3.963250175032305 0.3752104319519716 5.4664142747368 0.3752104319519716 -7.993043305470674" pbc="T F F" Rn -0.06148956 0.05495450 0.13142204 167.62833278 -12.62297470 -155.60558889 Rn 1.59850480 1.57356098 0.10260874 -15.14296796 38.51682985 -30.43561267 Rn 1.70646750 0.04116969 1.20564610 -180.44081799 -59.20324766 159.30622454 Rn -0.26162204 1.48697527 1.76989888 27.95545317 33.30939250 26.73497702