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=-20.6444928084 stress="-39.88536136946529 2.8728152927078345 -1.1161841697211765 2.8728152927078345 -32.41563274087767 -1.0031065344085783 -1.1161841697211765 -1.0031065344085783 -35.61233394609274" pbc="F F F" Mo 0.19178619 0.17895518 0.29140871 -48.63923737 -45.86108873 -71.00092077 Mo 1.61455359 1.53253581 0.14904689 38.56387829 40.01752669 -30.43122724 Mo 1.28091226 0.10609294 1.46603997 60.74706254 -43.93866426 58.55438304 Mo -0.19401975 1.32157598 1.51361598 -50.67170347 49.78222630 42.87776497