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=67.46878259367864 stress="-7.202120293551861 0.22565643335795427 -0.041377970093363615 0.22565643335795427 -12.87147899111897 0.9475354420375295 -0.041377970093363615 0.9475354420375295 -6.105558427083701" free_energy=67.46878259367864 pbc="F T F"
U       0.26235339       2.84838096       0.21005355     -63.91322667      11.30807095     -72.17071379 
U       1.71211731       1.44968690       0.29594673      70.77102510      12.13385071     -79.93669645 
U       1.65710459       2.99042854       1.35687199      64.77342880     -17.07716375      84.90839161 
U       0.24122900       1.50767569       1.31634348     -71.63122723      -6.36475791      67.19901862