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=38.9590095168964 stress="-2.115242941862488 0.00801504998344398 -0.0037776996072566385 0.00801504998344398 -0.8632251021798206 0.07754020988015195 -0.0037776996072566385 0.07754020988015195 -0.844112383641139" free_energy=38.9590095168964 pbc="T F F" K -0.00548572 0.09073906 0.27219963 -1.31988247 -9.27000365 -9.05572062 K 1.25564823 1.63132919 0.25978669 1.67709487 9.18974917 -8.24392495 K 1.22592512 0.18365717 1.70288723 2.13059416 -8.13949876 9.20802638 K 0.08343331 1.29585403 1.44809454 -2.48780656 8.21975324 8.09161918