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=56.8468332075827 stress="-1.2458764247123653 -0.004964318292502118 0.003860892955430807 -0.004964318292502118 -2.841695511894216 -0.01342363723548278 0.003860892955430807 -0.01342363723548278 -2.71940597026643" free_energy=56.8468332075827 pbc="F T T" K 0.21219253 -0.07514625 0.26652280 -11.55607807 2.71612519 -2.81745995 K 1.28220450 1.78278197 0.17251877 10.50307661 -3.20030269 -3.48893947 K 1.63362859 -0.17297059 1.33770040 14.24044745 2.29489256 2.94057540 K 0.04852473 1.55473499 1.25094513 -13.18744598 -1.81071507 3.36582402