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=101.72316532 pbc="T T T" Ca -0.14459490 -0.01205115 0.06939735 20 -124.47808362 -110.05937554 -137.18774111 Ca 0.66826113 0.56143450 0.06110600 20 -11.29353329 243.69276062 -41.56967484 Ca 0.53829595 0.02094153 0.89041416 20 212.70279310 -151.90009354 33.10305706 Ca -0.03824408 0.76878885 0.57834452 20 -76.93117619 18.26670845 145.65435889