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=1979.5205106445026 pbc="T T F" Ti -0.23277041 0.17363102 -0.12453728 22 848.56082820 -1461.02417920 -2072.47965101 Ti 1.32017293 1.57669150 -0.24731277 22 -557.61806069 900.41999855 -1268.84736145 Ti 1.32627554 0.02551607 1.35702608 22 481.05884874 -1995.04600681 1564.89394084 Ti -0.11960069 1.33080516 1.59472142 22 -772.00161625 2555.65018746 1776.43307161