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=5.49271460472 stress="-8.512431378838526 -2.7230029297371656 -1.2820548328338912 -2.7230029297371656 -9.013790168111777 2.8969184835148223 -1.2820548328338912 2.8969184835148223 -8.012723521288011" pbc="F F F" Ti -0.00811119 0.06482696 -0.15379940 -23.51423073 -18.00691380 -10.29894507 Ti 1.51821382 1.20575425 -0.03036777 20.20742049 31.48792225 -19.47527349 Ti 1.65586213 -0.09604453 1.33226600 7.97894131 -19.25903023 23.02791809 Ti -0.26950400 1.62036030 1.45631248 -4.67213106 5.77802178 6.74630048