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=110.07237510508314 stress="-3.8439230646590636 -0.31830948577518814 0.37516482008940916 -0.31830948577518814 -7.181426560490816 0.17280793667190614 0.37516482008940916 0.17280793667190614 -7.024216671994013" pbc="F T T"
Ca       0.22094491       0.30205975       0.18190327     -34.83104076      -3.58574205      -4.85152161 
Ca       1.32183498       1.71219253      -0.07514625      34.02665402     -10.72806326       7.02232782 
Ca       1.62990665      -0.21779550       1.78278197      42.38666170      14.46508053     -11.61181613 
Ca       0.06210000       1.68215332       1.32702941     -41.58227495      -0.15127522       9.44100992