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=3.453066177096481 pbc="T T F" Ti 0.14638810 -0.04105180 0.20259391 22 -3.25697597 -4.28642245 -10.42947508 Ti 1.56504129 1.20865944 -0.13449789 22 2.34368167 4.09391016 -12.25121038 Ti 1.28802619 0.39903317 1.68584377 22 6.44483606 -4.86873004 12.07121635 Ti 0.18362810 1.54984399 1.64685009 22 -5.53154176 5.06124233 10.60946911