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=86.814568792159 stress="-8.486355878198786 -0.9681293956475474 -0.2514277594954803 -0.9681293956475474 -6.558033234778462 -0.2706544315120801 -0.2514277594954803 -0.2706544315120801 -7.323557706732146" free_energy=86.814568792159 pbc="T F F" Sn 0.14904689 0.10609294 0.01361598 -30.06657192 -68.28950283 -61.65089928 Sn 1.35198705 1.47567541 0.06329927 27.01924737 65.58713796 -52.64895333 Sn 1.43745442 0.09073906 1.77219963 10.06983077 -53.95216375 61.61244524 Sn -0.06618674 1.63132919 1.75978669 -7.02250622 56.65452863 52.68740737