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:Z:I:1:forces:R:3 energy=2484.2400158488495 pbc="T F F" Ru 0.05528813 -0.25399913 0.06465095 44 -604.99404256 -970.38904853 -782.86352704 Ru 1.47482765 1.20981737 0.26428595 44 -2227.42154902 5708.54891367 -10940.43372720 Ru 1.37800524 0.15099045 1.56993012 44 -550.23420083 -6791.65735272 8423.14596807 Ru -0.25712344 1.66210106 1.42994781 44 3382.64979242 2053.49748759 3300.15128617