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=60.299571416 pbc="F F T" Ca -0.04131534 0.01045526 -0.10637159 20 -27.08600147 -21.65366300 9.04917272 Ca 1.73573857 1.52724172 -0.22461850 20 22.70940408 21.15387182 5.12400450 Ca 1.20296332 -0.02010221 1.68515289 20 26.14465069 -26.31706676 -10.44864704 Ca -0.16618534 1.48735431 1.49535292 20 -21.76805330 26.81685794 -3.72453017