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:Z:I:1:forces:R:3 energy=103.525557542 pbc="T F T"
Ca       0.19724111      -0.03787426      -0.00548572       20    -381.64182973   -1234.00861589       4.99794854 
Ca       1.34126820       1.34140700      -0.18331863       20     377.95792006    1177.16395039     -65.86119989 
Ca       1.41986395      -0.05314731       1.38659309       20     443.34286823   -1278.34176727      -0.52818137 
Ca       0.22029417       1.43381326       1.45316417       20    -439.65895856    1335.18643276      61.39143272