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=-2.49620554949 pbc="T F T" Ti 0.19724111 -0.03787426 0.19740151 22 -2.93801838 -6.48403747 -1.21992164 Ti 1.34126820 1.34140700 -0.18331863 22 2.36358702 8.08765692 1.41600574 Ti 1.21571798 -0.03508962 1.41257404 22 -0.28481767 -8.72555985 -1.03018793 Ti 0.48439216 1.43381326 1.55618294 22 0.85924932 7.12194078 0.83410383