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:Z:I:1:forces:R:3 energy=1831.5611508643049 pbc="F T F"
Ca       0.00505312       0.28210359       0.03099388       20   -1955.80591187   -3596.14305906   -4427.66957894 
Ca       1.68949463       1.45871846      -0.00414343       20    1845.98479727     302.30578753   -2020.83492380 
Ca       1.56213243      -0.06398784       1.40667513       20    2048.38156572   -1024.15431549    1003.33862088 
Ca       0.39500869       1.34315646       1.30584958       20   -1938.56045112    4317.99158702    5445.16588186