4 Lattice="-3.492712 -2.109403 0.0 -3.492712 2.109403 0.0 0.0 0.0 -8.557065" Properties=species:S:1:pos:R:3:forces:R:3 energy=-6.33830188010525 stress="-0.009179458958870394 -4.959459002315772e-16 -2.7914973695204284e-15 -4.959459002315772e-16 -0.00695121405950308 -1.0320467955822239e-07 -2.7914973695204284e-15 -1.0320467955822239e-07 -0.008654426148530939" dipole="4.2946280392062296e-05 -1.478844518553542e-06 -7.0939620002951185e-06" pbc="T T T" Br -3.49271000 1.48419000 -1.02284000 0.00000000 -0.04791643 -0.03384131 Br -3.49271000 -0.62521000 -3.25569000 0.00000000 -0.04793222 0.03385180 Br -3.49271000 0.62521000 -5.30138000 0.00000000 0.04789214 -0.03294562 Br -3.49271000 -1.48419000 -7.53422000 0.00000000 0.04787634 0.03293509