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=333.0643919586754 stress="-30.891681249042378 -2.2543518113517544 -10.869760741639114 -2.2543518113517544 -73.73512873570888 44.76922472872138 -10.869760741639114 44.76922472872138 -77.26048275823804" pbc="F T F" Br 0.22207973 0.17937765 0.24898370 -478.37018279 -464.41053064 -371.65474084 Br 1.63362060 1.26108966 0.08088007 131.00014709 1535.41648616 -1418.99791875 Br 1.78386083 0.16410304 1.22190646 409.45476951 -1323.51847282 1499.49027619 Br 0.06608952 1.36355789 1.58365517 -62.08473381 252.51251730 291.16238340