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=42.0498092271 pbc="T T T" Ti -0.14459490 -0.01205115 0.06939735 22 -50.11769959 -25.12002318 -28.56577978 Ti 0.95960170 0.56143450 0.04092907 22 32.74885754 25.76161850 -17.46272102 Ti 0.53829595 -0.09986095 0.89041416 22 19.57520742 -32.97528450 40.34147004 Ti 0.00089865 0.76878885 0.57834452 22 -2.20636396 32.33369155 5.68702038