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=-11.358056769595636 stress="-8.001322334215711 -0.6705224948106902 1.3493902622745284 -0.6705224948106902 -8.386816299537859 -0.6395583666397533 1.3493902622745284 -0.6395583666397533 -8.11779854752401" pbc="F F F" Ti -0.07700850 -0.09301634 0.18107110 -2.11714049 -3.41953476 -2.14573898 Ti 1.32825321 1.63102478 0.09995250 3.16183376 2.59234067 -3.27939167 Ti 1.76120756 0.01193751 1.75226748 2.00418436 -1.67321611 1.68892086 Ti -0.03568003 1.54396501 1.57236142 -3.04887763 2.50041021 3.73620979