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=90.87400392231622 stress="-3.3103889194518064 -0.23923503296978485 0.07726206813439268 -0.23923503296978485 -6.326536057136974 0.22262970926247036 0.07726206813439268 0.22262970926247036 -3.2648886950461447" pbc="F T F"
Ca       0.05473499      -0.12063495       0.13661615     -39.38427659       1.48880593     -36.52663539 
Ca       1.40480033       1.28303047       0.11041876      32.40162050       2.16355149     -33.35661101 
Ca       1.26735611      -0.16466555       1.24148635      38.44864010       3.09253403      34.50146900 
Ca       0.08611608       1.53369179       1.52598936     -31.46598401      -6.74489145      35.38177740