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=-30.306905965960077 stress="-0.06254260116543608 0.13619776501061487 -0.1436601599561821 0.13619776501061487 -0.19416571603973926 0.05797802781193352 -0.1436601599561821 0.05797802781193352 0.6475415520687499" free_energy=-30.306905965960077 pbc="T F T" Ti 0.20138145 0.13102478 0.28740593 -1.40739460 0.90000107 -1.62689420 Ti 1.76120756 1.51193751 0.25226748 -1.31936132 -1.30179145 -1.77867336 O 1.46431997 0.04396501 1.57236142 3.68157978 -3.77335091 2.70493784 O 0.22395089 1.73854596 1.26922180 -0.95482386 4.17514129 0.70062972