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=57.38621048300269 stress="-1.24597508231684 -0.004931511581200638 0.0038546810157501377 -0.004931511581200638 -2.8613702551260727 -0.013399995109667339 0.0038546810157501377 -0.013399995109667339 -2.7391311224179193" free_energy=57.38621048300269 pbc="F T T" K 0.21219253 -0.07514625 0.26652280 -11.55692063 2.71602011 -2.81630130 K 1.28220450 1.78278197 0.17251877 10.50378781 -3.19963091 -3.48878213 K 1.63362859 -0.17297059 1.33770040 14.24166141 2.29382175 2.94043911 K 0.04852473 1.55473499 1.25094513 -13.18852859 -1.81021095 3.36464431