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:forces:R:3 energy=50.85426253278011 stress="-2377.5457283124406 46.955006637672994 -4.81902820822188 46.955006637672994 -1957.5192804672445 118.62464614308635 -4.81902820822188 118.62464614308635 -1981.959817076348" pbc="F F F"
Ca       0.26959405       0.17626233      -0.14597521    -640.95000694    -622.23914140    -880.92199537 
Ca       1.70996341       1.49207130       0.15300231     893.04853723     790.99774755    -552.47795082 
Ca       1.53848316      -0.04225341       1.41852158     640.67647239    -783.81253652     789.18837180 
Ca      -0.04210664       1.38825682       1.27041603    -892.77500269     615.05393037     644.21157440