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:Z:I:1:forces:R:3 energy=-3.62730816317 pbc="F T F" Ti 0.21711796 -0.05388404 0.06469383 22 -12.86386067 -2.85532401 -11.66657324 Ti 1.37241235 1.08946913 0.10459395 22 12.14042248 2.68693316 -10.10780795 Ti 1.22286420 -0.06141927 1.25205420 22 9.47634034 -3.07367633 14.33409641 Ti 0.08789375 1.27991022 1.20245745 22 -8.75289962 3.24206578 7.44028767