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=-10.3214980362 stress="-3.4076234130844147 -0.29432633363285504 0.568607348326246 -0.29432633363285504 -3.536362343714158 -0.462529153534083 0.568607348326246 -0.462529153534083 -3.811825587778556" pbc="F F F" U -0.03624564 -0.09416457 -0.24440284 -5.31417614 -8.03078444 -7.03729025 U 1.20178472 1.79874826 -0.22709028 7.81796991 6.22139047 -5.76992696 U 1.38090187 -0.13863341 1.55835534 5.65890853 -3.44289736 4.08526498 U -0.25354363 1.48193431 1.42001865 -8.16270230 5.25229134 8.72195223