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=34.47248530102586 stress="-2.6109747474818774 0.1132849541810934 0.05201857274318727 0.1132849541810934 -2.8576282948535487 0.11223526784365459 0.05201857274318727 0.11223526784365459 -1.7656462114812241" free_energy=34.47248530102586 pbc="T T F" F 2.71156333 2.91738082 0.15093924 7.89411539 -2.37617950 -15.57365775 F 1.64803915 1.26416454 0.14526935 -6.87471102 4.49761316 -14.78063313 F 1.53315275 0.07797747 1.76599513 0.93040236 1.92763179 16.56316503 F 0.21017456 1.75003599 1.66192607 -1.94980673 -4.04906545 13.79112585