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=14193.211423835623 pbc="F T T" Fm 0.23772786 0.21551531 -0.15304531 100 -36500.09044519 -34139.11888401 2604.69645368 Fm 1.35313883 1.32653217 -0.03131248 100 36386.20881626 31652.41725821 -1245.02171280 Fm 1.45323321 0.05690369 1.59854693 100 20129.60947420 -15464.28348237 -6555.99942190 Fm 0.27028562 1.22884061 1.32933202 100 -20015.72784527 17950.98510817 5196.32468103