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=-57.01331010970275 stress="-0.00018490587265601079 -2.9005916339785607e-05 -3.3033513516037595e-05 -2.9005916339785607e-05 -0.00015830647705889349 4.30684133743021e-06 -3.3033513516037595e-05 4.30684133743021e-06 -0.0001434713863854986" pbc="F F F"
Ti      20.87366136      20.96097674      20.78219307       1.14802703       0.79304345       1.20203487 
Ti      22.71813893      22.26716069      22.69410236      -2.55884147      -0.38476918      -3.60457364 
Ti      23.83096497      20.88201197      20.93300593      -0.89599584      -0.53435150      -0.66459387 
Ti      25.22002482      22.27696427      22.41661558       2.75557731      -0.23021385       0.05394308 
Ti      20.96512192      24.22586561      21.29391194      -0.99328640      -2.26282618      -1.09363092 
Ti      22.22614529      25.52103145      22.27761356       1.47734875       2.29335095       1.22649099 
Ti      24.18220204      24.17074368      21.23573857      -1.94087773      -1.16839852      -2.49080496 
Ti      25.52724172      25.27538150      22.20296332       1.58594800       1.29569106       2.08556574 
Ti      20.84887301      21.22083292      23.78984966      -1.00874820      -0.90687428      -0.78447363 
Ti      22.36606549      22.42299150      25.40698366      -0.02322643      -0.63271876       3.23974650 
Ti      23.93320187      20.82825321      24.13102478       0.32314061      -2.30265238       0.53956362 
Ti      25.33120362      22.76120756      25.23018103       1.44698497       0.11044492       1.20726628 
Ti      21.25226748      23.96431997      24.04396501      -2.33706604       1.21105184       0.34689498 
Ti      22.57236142      25.70379337      25.73854596       0.84070122      -0.87783346      -0.78770143 
Ti      23.76922180      23.78229695      24.02031036       1.36289673       4.39333062       0.30561484 
Ti      25.68745344      25.52015752      25.37970777      -1.18258248      -0.79627473      -0.78134245