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=60.2095210855 pbc="F F T" Ca -0.04131534 0.01045526 -0.10637159 20 -27.08580923 -21.65348705 9.04915497 Ca 1.73573857 1.52724172 -0.22461850 20 22.70917872 21.15369017 5.12372310 Ca 1.20296332 -0.02010221 1.68515289 20 26.14449982 -26.31687830 -10.44826946 Ca -0.16618534 1.48735431 1.49535292 20 -21.76786932 26.81667519 -3.72460861