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:forces:R:3 energy=-17.36655487580275 stress="-0.4969794747817315 0.01864378555661593 -0.1776424827924593 0.01864378555661593 0.053407235812810365 -0.16510224532590137 -0.1776424827924593 -0.16510224532590137 -0.4809245899047614" free_energy=-17.36655487580275 pbc="F F T"
O       0.00239915       0.04278917       0.23520322      -7.55131642      -1.49093555      -8.72680395 
Ti       1.74421963       1.59176916       0.19258762      -0.82163259      -2.44709252      -2.03354415 
O       1.51477119       0.29553441       1.34125301       9.84966468       2.45443684       5.40122985 
Ti       0.03407362       1.20763472       1.42139044      -1.47671567       1.48359124       5.35911825