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=-47.62463017688465 stress="-0.00037598980054019796 2.6694269977460983e-05 -0.00018400327714306356 2.6694269977460983e-05 -0.0004092476874995387 -1.9160168191345308e-05 -0.00018400327714306356 -1.9160168191345308e-05 -0.0002814072915537346" pbc="F F F"
Ti      20.78298281      21.18365717      21.48475961      -1.23611706      -1.45963155      -1.10606457 
Ti      22.58343331      22.29585403      22.44809454      -0.83458176       1.07813918       2.35652789 
Ti      24.22094491      21.23171545      21.18190327      -0.69741705      -3.52663983      -2.64591774 
Ti      25.32183498      22.72220445      22.42485375       5.75424885       0.28373664       2.35753393 
Ti      21.12990665      23.78220450      21.26731537      -0.88696587       1.20184311      -0.45824265 
Ti      22.66380121      25.63362859      22.32702941      -1.76157542       0.69384192       1.62552851 
Ti      24.07034430      23.92645838      21.05473499      -2.01014260       0.91684405      -3.86968270 
Ti      25.13465454      25.63744216      22.40480033       2.14808754       1.03447693       0.52854994 
Ti      20.87719504      20.79869006      24.11041876      -0.08867636      -0.61071198      -0.18141993 
Ti      22.26735611      22.58157542      25.24148635       3.42150107      -2.18755173       4.05749981 
Ti      24.08611608      21.03369179      24.02598936      -1.15081744      -4.06742220      -0.75551825 
Ti      25.22329650      22.46375436      25.40583543       3.10310682       0.03977380       3.44735471 
Ti      20.75559716      23.70178472      24.29874826      -4.01499924       1.87974908      -3.96859488 
Ti      22.27290972      25.52392589      25.21635552       1.39028957       0.58366339      -0.12290663 
Ti      24.05835534      23.74645637      24.09236290      -2.81447237       4.23858765      -1.78418184 
Ti      25.42001865      25.70070203      25.05855809      -0.32146870      -0.09869845       0.51953441