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=85.3020934091317 stress="-5.808038119121769 0.255497103274591 -0.14288769247628041 0.255497103274591 -3.3030604185323806 0.1547649572503797 -0.14288769247628041 0.1547649572503797 -3.1710759761342215" pbc="T F F"
Ca      -0.06254558       0.09073906       0.27219963      -5.28809252     -34.98270612     -35.60083667 
Ca       1.43381326       1.63132919       0.25978669       4.85900671      31.07805658     -29.66408890 
Ca       1.22592512       0.18365717       1.70288723      13.39803931     -32.90652364      33.38454831 
Ca       0.08343331       1.29585403       1.44809454     -12.96895350      36.81117318      31.88037727