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=43.808958219538795 stress="-58.27535406223838 0.27622971469900914 -0.20634711444906273 0.27622971469900914 -52.73754753591003 0.24967017468692987 -0.20634711444906273 0.24967017468692987 -55.75855599290921" pbc="F F F"
Ca      -0.14801295      -0.02432459       0.06329927     -22.46697173     -16.56545011     -20.83080927 
Ca       1.43745442       1.27846858      -0.00548572      17.77255839      19.80824146     -18.18619510 
Ca       1.34126820      -0.15859300       1.31668137      20.95033873     -22.13405479      18.56728160 
Ca      -0.08013605       1.24396547       1.59073906     -16.25592538      18.89126344      20.44972277