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=-0.3241606896964793 stress="-0.2285698196607511 -0.10350639469458815 -0.06531636526244851 -0.10350639469458815 -0.6887194260724462 0.018666510578852578 -0.06531636526244851 0.018666510578852578 -0.45955489572407043" free_energy=-0.3241606896964793 pbc="T F F"
Ti       2.78475686       0.04737131       0.15501883      -0.31626279      -8.07363564       0.70292278 
O       1.78935443       1.36810690       0.12937675      -1.08297305       8.53760975     -10.93452809 
Ti       1.25818085       0.09119645       1.29640878      -1.06748247      -4.81237224       2.24007480 
O       0.21456242       1.77913633       1.35263676       2.46671831       4.34839812       7.99153050