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=13253.637208486869 pbc="T T F" Rf -0.15031689 -0.03066265 -0.01339573 104 -2360.73137508 8905.01998116 -9760.95908237 Rf 1.23244500 1.79286410 0.15460763 104 6321.86996414 -11269.48961342 -2991.28852923 Rf 1.79435236 0.14160091 1.53171375 104 -40320.13001574 -39006.24056788 3325.15367673 Rf -0.19354219 1.40481993 1.72133330 104 36358.99142667 41370.71020014 9427.09393487