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=-3.2684882980191214 stress="-0.20506040470969425 0.002009332958319589 -0.013835400378015771 0.002009332958319589 -0.27699509739573175 -0.13884385707778643 -0.013835400378015771 -0.13884385707778643 -0.45147373183820133" free_energy=-3.2684882980191214 pbc="F T F"
O       0.20040666       0.29603583       0.03502127      -2.23000681      -2.39311070      -8.34208863 
Ti       1.66980798       1.18984988       0.16593146       2.05202069      -0.12155427       0.23659187 
Ti       1.65019543       0.10888125       1.44208907       1.77678491       0.02721317      -0.17713751 
O       0.23454065       1.49355133       1.53310309      -1.59879879       2.48745181       8.28263428