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=32.505969946884385 stress="-6.268617834053162 -0.10250489764390211 0.027454007152661154 -0.10250489764390211 -6.011275916359165 -0.32399938628471986 0.027454007152661154 -0.32399938628471986 -5.634486387498338" pbc="T T T" W -0.21395222 0.20384132 -0.05189164 -10.42321396 -15.18797759 -13.33573337 W 1.23214964 1.50041025 0.25551247 12.53880388 11.44189851 -26.98892485 W 1.25840170 -0.00811119 1.56482696 15.66514603 -4.35640410 14.72836771 W -0.03343909 1.51821382 1.20575425 -17.78073595 8.10248318 25.59629052