3
Lattice="4.550057 4e-05 0.0 -2.274994 3.940485 0.0 0.0 0.0 2.809682" Properties=species:S:1:pos:R:3:forces:R:3 energy=-20.069244412427935 stress="-0.01391131412347474 -0.00035036882278556883 3.642519010895734e-11 -0.00035036882278556883 -0.014315949256875845 6.294550211467974e-11 3.642519010895734e-11 6.294550211467974e-11 -0.016370134554710168" pbc="T T T"
Ti       0.00000000       0.00000000       0.00000000       0.00033699       0.00058238      -0.00000588
Ti       2.27508000       1.31375000       1.40484000      -0.00192086       0.00071085       0.00000295
Ti       0.00020000       2.62715000       1.40484000       0.00158321      -0.00129436       0.00000295