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:forces:R:3 energy=58.080409860112916 stress="-70.92688653310927 3.087225787338099 -0.966204777895868 3.087225787338099 -60.440709814704164 -0.928170731420451 -0.966204777895868 -0.928170731420451 -65.16482467075038" pbc="F F F" Ca 0.19178619 0.17895518 0.29140871 -24.82966305 -24.56892098 -36.09515561 Ca 1.61455359 1.53253581 0.14904689 20.50475387 22.12010935 -16.48209477 Ca 1.28091226 0.10609294 1.46603997 29.43997859 -22.79035922 30.30716474 Ca -0.19401975 1.32157598 1.51361598 -25.11506941 25.23917085 22.27008564