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=35.76659059110896 stress="-5.604365804711365 0.9001021175233406 -1.184789288944035 0.9001021175233406 -3.1042958182458937 -0.31692149608753334 -1.184789288944035 -0.31692149608753334 -4.3417229046195" pbc="T T F" Mo 0.09176916 0.06487656 0.01477119 -9.21679377 -20.14877825 -59.81629587 S 1.79553441 1.34125301 0.00601457 -15.68300242 13.13652091 -32.26545825 Mo 1.20763472 0.04910150 1.28901754 38.58103093 -22.16895037 48.78520878 S 0.00812800 1.19650052 1.27999011 -13.68123475 29.18120771 43.29654534