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=6611.182837912166 stress="-12748.598616091786 496.57318151147547 -2189.930875724456 496.57318151147547 -40041.20648197671 -24118.841688552915 -2189.930875724456 -24118.841688552915 -28136.431195258665" pbc="F F F" Cf 0.10770798 0.29974846 0.24917156 -4900.45224387 -27788.01797672 -23296.87856273 Cf 1.56645190 1.75057754 -0.04601368 3586.74021296 1497.44716763 -3146.58723731 Cf 1.48498828 0.27206920 1.57422976 5721.99920829 -3749.18121860 3548.89138355 Cf 0.19035541 1.55691237 1.23216068 -4408.28717738 30039.75202770 22894.57441650