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=8105.890777960114 pbc="F T T" Ti 0.25723704 0.02461913 -0.22981584 22 -30409.99450836 -3569.56965984 35409.95620212 Ti 1.73299634 1.53244506 0.20978753 22 2317.12820191 1398.83902708 -1328.02896520 Ti 1.24709141 0.19569339 1.56721379 22 31094.65961730 3830.19255475 -33157.47475801 Ti -0.13533423 1.70630872 1.34699284 22 -3001.79331085 -1659.46192199 -924.45247891