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=150922.53394939395 stress="-19522.349063136666 -1996.9122718400108 8671.421020242562 -1996.9122718400108 -28524.44144916622 -13094.254556265427 8671.421020242562 -13094.254556265427 -19398.947789150276" pbc="T F F" Ho 0.25684340 0.26056179 0.28805990 81605.94631706 -568388.07786634 -437074.35126044 Ho 1.31144594 1.52303906 0.39829072 136518.73948138 145069.25299794 -97560.65961661 Ho 1.72340815 0.28268812 1.64337038 -107982.78212923 -136700.07246171 83938.25949617 Ho -0.11036617 1.31416545 1.22164413 -110141.90366921 560018.89733011 450696.75138089