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=1.1385293562811856 stress="-6.1713878889709 0.6496600246142383 -0.23729991265157135 0.6496600246142383 -7.56095888463569 -3.893109989555919 -0.23729991265157135 -3.893109989555919 -9.293601111658633" pbc="F F F" Cn -0.07912069 0.19828836 0.14863700 -1.79598194 -4.29813656 -5.15578786 Cn 1.21774785 1.77245932 0.03180284 1.05323415 1.86923247 -1.15058896 Cn 1.54561541 0.22843165 1.39017707 2.92051132 -1.81933699 1.15246800 Cn -0.10686542 1.29834557 1.64814700 -2.17776353 4.24824107 5.15390882