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=131.96330868088876 stress="-14.860022282704902 1.7267751146121613 -1.1757911128719813 1.7267751146121613 -15.216991727821974 -2.159396178921576 -1.1757911128719813 -2.159396178921576 -17.735223569094778" pbc="T T T" W -0.14459490 0.11115480 0.11044915 64.58522860 -135.92846227 -40.91006780 W 1.70960170 1.31143450 -0.16166483 -103.07818117 109.37924136 19.74966574 W 1.28829595 0.03769167 1.64041416 -18.43785240 -84.91867894 -31.78869160 W -0.22187219 1.22744829 1.32834452 56.93080497 111.46789985 52.94909366