16
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-25.939114879688656 stress="-0.00024478996823944 3.979466663625606e-05 6.0573590234030506e-05 3.979466663625606e-05 -0.00013044757970707383 4.8630002226876026e-05 6.0573590234030506e-05 4.8630002226876026e-05 -0.000138965176172282" free_energy=-25.939114879688656 pbc="F F F"
O      20.76716069      21.19410236      20.83096497      -0.79420301      -1.13722122      -1.15015656 
O      22.38201197      22.43300593      22.22002482       1.04681029      -3.15892931       2.40257194 
Ti      23.77696427      20.91661558      21.10128274       0.91814948      -0.45099964       0.11325546 
Ti      25.72586561      22.55820454      22.22614529       1.07284174      -0.85388885      -0.86999415 
O      21.02103145      23.77761356      21.18220204      -2.08302459       2.05819968      -1.76319102 
Ti      22.39362841      25.73573857      22.52724172       0.84944165       3.86036425      -2.30219998 
O      23.77538150      23.70296332      20.97855519       1.14636515       0.94402744      -0.12937182 
Ti      25.67544234      25.36312902      22.68725154       0.05288419       0.28846853       0.57191874 
Ti      21.05260350      20.90698366      24.18107110      -0.19135365       2.11856191       0.50692460 
O      22.32825321      22.63102478      25.59995250      -1.18774153      -1.08316804       0.91098650 
Ti      24.26120756      21.16914158      24.25226748       0.07242568       1.07944680       0.37922817 
Ti      25.22996843      22.42904101      25.57236142       0.04147326      -0.56386811      -0.78283995 
O      21.20379337      24.23854596      23.76922180      -2.61398526      -2.91324295       1.43931930 
O      22.57998149      25.50304726      25.68745344      -0.83340011       0.66190581       2.00229521 
O      24.02015752      23.74036444      24.44801139       2.66824458      -0.36384431       0.14216264 
Ti      25.34882242      25.25213077      25.23125112      -0.16492786      -0.48581200      -1.47090908