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=49.7437379355579 stress="-7.2060529104772275 1.3513065186292448 -0.6598749877017343 1.3513065186292448 -7.849018293270148 -1.871379604505502 -0.6598749877017343 -1.871379604505502 -8.960821529350072" pbc="T T T" W -0.14459490 0.11115480 0.11044915 41.55409302 -87.22278966 -28.20213581 W 1.70960170 1.31143450 -0.16166483 -63.49840148 67.99162502 10.86717286 W 1.28829595 0.03769167 1.64041416 -10.96431658 -50.71695112 -18.69954646 W -0.22187219 1.22744829 1.32834452 32.90862504 69.94811577 36.03450940