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=56.871185807290736 stress="-2.774996044349288 0.013508632642276062 -0.009826504362169433 0.013508632642276062 -1.224876564123751 -0.002130180296224919 -0.009826504362169433 -0.002130180296224919 -2.8377205597551782" free_energy=56.871185807290736 pbc="T F T" K -0.08147842 0.19178619 0.17895518 2.40802405 -12.08575099 -2.81656757 K 1.79140871 1.61455359 0.09583508 -2.86549884 13.88040051 -2.30924427 K 1.64904689 0.10609294 1.40349439 -2.62887660 -12.62926921 2.01406146 K -0.19401975 1.32157598 1.29208456 3.08635138 10.83461969 3.11175037