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=26.847546120527955 stress="-89.06466179382176 9.862090443647936 -20.315785190065796 9.862090443647936 -74.04686664216544 -10.208590571673113 -20.315785190065796 -10.208590571673113 -95.61332201559269" pbc="F F F" Ti 0.19178619 0.17895518 0.29140871 -39.05119164 -32.82843999 -63.46496139 Ti 1.61455359 1.53253581 0.14904689 18.41479651 22.83221141 -14.92163503 Ti 1.28091226 0.10609294 1.46603997 48.02006665 -26.09639770 48.67194898 Ti -0.19401975 1.32157598 1.51361598 -27.38367152 36.09262628 29.71464744