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=7868.282823795974 pbc="T F F" Ti -0.17828763 0.22808962 -0.00624869 22 -841.53469935 -8512.30581394 -10473.51342657 Ti 1.20818577 1.32165534 0.06438097 22 20298.57045707 6975.30768198 -22191.33372046 Ti 1.73158742 -0.05586918 1.36619484 22 -4792.19901597 -4277.03273194 8686.86920249 Ti 0.23521146 1.45374511 1.37517978 22 -14664.83674174 5814.03086390 23977.97794454