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=41.79084982047157 stress="-1.9314409189221595 -0.15552931699907446 0.020258207993418032 -0.15552931699907446 -3.150241275338977 0.03300871042063748 0.020258207993418032 0.03300871042063748 -1.7033850963066466" free_energy=41.79084982047157 pbc="F T F"
F       0.28148913       0.05210001       0.26147517     -21.78908986       3.69608817     -19.25052699 
F       1.50736779       1.50505582       0.17858111      16.96118771      -3.87378050     -20.44285556 
F       1.58352372       2.84376228       1.26820562      23.78602604       6.76921863      19.14860279 
F       0.26111147       1.72232616       1.47927008     -18.95812389      -6.59152631      20.54477976