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=31.570871279366404 pbc="T T F"
Ti      -0.24440284      -0.29821528       0.29874826       22       4.09432357      47.28463507     -59.91027934 
Ti       1.17376138       1.38090187      -0.13863341       22       8.18405601      -9.30276498     -21.51042565 
Ti       1.55835534      -0.25354363       1.48193431       22     -22.39605110      17.38033835      30.97777228 
Ti      -0.07998135       1.70070203       1.20342959       22      10.11767152     -55.36220845      50.44293270