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=300.314253241 pbc="T T T" Ca -0.18564671 0.31374870 0.17549044 20 -115.75396522 -95.18456323 -126.88346711 Ca 0.95960170 0.56143450 0.06110600 20 107.40670921 33.93996693 -78.48737501 Ca 0.53829595 0.02094153 0.89041416 20 60.14999816 -104.09331700 112.44571305 Ca -0.03824408 0.76878885 0.57834452 20 -51.80274215 165.33791330 92.92512908