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=468.45641062218414 stress="-199.09988280279165 1.7184145775017923 -2.2228928484385895 1.7184145775017923 -201.00265350666342 -1.345882988466066 -2.2228928484385895 -1.345882988466066 -200.59599563136624" pbc="T T T" Ru -0.14459490 0.11115480 0.11044915 84.77074836 -98.15632280 -39.90530518 Ru 1.70960170 1.31143450 0.04092907 -151.64000721 73.07024142 -63.68056809 Ru 1.28829595 -0.09986095 1.64041416 -15.16566752 -8.43586707 0.49381158 Ru -0.22187219 1.51878885 1.32834452 82.03492636 33.52194845 103.09206170