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=2.874515144312633 stress="-1.699029281351189 -0.1362042430446405 0.1776082651487899 -0.1362042430446405 -1.2882127369158112 -0.00672516049638935 0.1776082651487899 -0.00672516049638935 -1.1637103825591426" free_energy=2.874515144312633 pbc="T F F" Ti 2.89745836 0.13572127 0.05791531 -1.60428787 -11.72357461 -9.03632796 Ti 1.23387496 1.58501927 0.06603388 4.78430841 9.84094357 -11.27465590 Ti 1.50693356 0.16501753 1.72580078 -1.10416944 -11.54691624 9.85900001 Ti 2.92866320 1.68883157 1.49955875 -2.07585110 13.42954727 10.45198385