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=56.40731922882877 stress="-7.886634697521947 0.21680519709431156 0.0579086830226189 0.21680519709431156 -8.095514425756413 -0.11847054150881992 0.0579086830226189 -0.11847054150881992 -7.887459890775585" pbc="T T T" W -0.14459490 0.11115480 -0.01275680 22.11338843 -12.44279493 18.83450749 W 1.70960170 1.31143450 -0.16166483 -29.37077130 13.32488962 23.98751368 W 1.28829595 -0.16490224 1.64041416 -10.52027590 -7.07302867 -19.69913936 W -0.22187219 1.47773705 1.53093842 17.77765876 6.19093398 -23.12288181