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=-1.8487155236795105 stress="0.13290302507984883 0.04846527638573739 -0.0019384190074243491 0.04846527638573739 0.1555204637573764 0.011301345396683322 -0.0019384190074243491 0.011301345396683322 0.11475163665751144" pbc="T T T" user02 0.24781680 0.15158211 -0.08557586 1.07140406 0.61720397 0.37129965 user02 1.20659797 1.20800125 0.29508557 -1.13718305 -0.68890953 0.32498491 user02 1.26684753 -0.23920279 1.34757984 -1.26504767 -0.70180984 -0.25397470 user02 0.20182873 1.78901905 1.49542229 1.33082666 0.77351540 -0.44230987