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=71.8468073272 pbc="F T F" Ca -0.09481051 0.04044737 0.10459395 20 -1144.12746155 -74.48150612 -835.18228382 Ca 1.22286420 1.43858073 -0.02208018 20 891.14501355 56.33699267 -943.19848028 Ca 1.65488783 0.35379734 1.20245745 20 1097.64181161 -242.07630891 675.75701785 Ca -0.10954388 1.33528874 1.48844065 20 -844.65936361 260.22082236 1102.62374625