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=172854.84946029927 pbc="T T F" Pr -0.01149313 0.29198167 0.21113750 59 -217626.94620582 -415382.92923838 -488190.58412998 Pr 1.33449905 1.50010120 -0.02955951 59 120245.49371957 96757.48688111 -115221.80735364 Pr 1.25916130 0.04133864 1.40816053 59 197976.14725218 -74261.14417592 177957.43894522 Pr 0.04170562 1.46198517 1.35468655 59 -100594.69476593 392886.58653318 425454.95253840