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=297.096112314 pbc="T T T" Ca -0.18564671 0.31374870 0.17549044 20 -115.75495002 -95.17972705 -126.88084794 Ca 0.95960170 0.56143450 0.06110600 20 107.41197148 33.94232256 -78.48916217 Ca 0.53829595 0.02094153 0.89041416 20 60.14962268 -104.09616057 112.44827376 Ca -0.03824408 0.76878885 0.57834452 20 -51.80664414 165.33356506 92.92173635