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=-0.7373166651794716 stress="1.0820266689639855 -0.10513570184749099 0.13872827014824052 -0.10513570184749099 1.662510689078128 0.11114663809932801 0.13872827014824052 0.11114663809932801 1.6020192795058041" pbc="F F F" F -0.08798197 0.12057203 -0.06978781 0.37931023 0.60195391 0.67846770 F 1.45156966 1.60042446 -0.20888897 -0.41023558 -0.25199410 0.36583483 F 1.20739708 -0.17094236 1.73522325 -0.48482911 0.64517717 -0.35998700 F 0.25634788 1.22747309 1.24736879 0.51575446 -0.99513698 -0.68431553