16
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-57.01331010970281 stress="-13.699306293338536 -2.1489903297820465 -2.447386949376215 -2.1489903297820465 -11.728610272339335 0.3190852610075021 -2.447386949376215 0.3190852610075021 -10.629508074528843" pbc="F F F"
Ti      -0.12633864      -0.03902326      -0.21780693       1.14802703       0.79304345       1.20203487 
Ti       1.71813893       1.26716069       1.69410236      -2.55884147      -0.38476918      -3.60457364 
Ti       2.83096497      -0.11798803      -0.06699407      -0.89599584      -0.53435150      -0.66459387 
Ti       4.22002482       1.27696427       1.41661558       2.75557731      -0.23021385       0.05394308 
Ti      -0.03487808       3.22586561       0.29391194      -0.99328640      -2.26282618      -1.09363092 
Ti       1.22614529       4.52103145       1.27761356       1.47734875       2.29335095       1.22649099 
Ti       3.18220204       3.17074368       0.23573857      -1.94087773      -1.16839852      -2.49080496 
Ti       4.52724172       4.27538150       1.20296332       1.58594800       1.29569106       2.08556574 
Ti      -0.15112699       0.22083292       2.78984966      -1.00874820      -0.90687428      -0.78447363 
Ti       1.36606549       1.42299150       4.40698366      -0.02322643      -0.63271876       3.23974650 
Ti       2.93320187      -0.17174679       3.13102478       0.32314061      -2.30265238       0.53956362 
Ti       4.33120362       1.76120756       4.23018103       1.44698497       0.11044492       1.20726628 
Ti       0.25226748       2.96431997       3.04396501      -2.33706604       1.21105184       0.34689498 
Ti       1.57236142       4.70379337       4.73854596       0.84070122      -0.87783346      -0.78770143 
Ti       2.76922180       2.78229695       3.02031036       1.36289673       4.39333062       0.30561484 
Ti       4.68745344       4.52015752       4.37970777      -1.18258248      -0.79627473      -0.78134245