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=54.11947572205582 stress="-4.127880833960768 -0.037398053847196584 -0.14653899602844056 -0.037398053847196584 -3.3671334246072577 0.4409109144674359 -0.14653899602844056 0.4409109144674359 -3.2092943617598215" free_energy=54.11947572205582 pbc="T F F" W -0.09022051 0.14408857 0.20902946 -10.21518765 -36.67502298 -31.68871449 W 1.29590009 1.66265408 0.04052745 9.39331158 31.43433774 -33.17868208 W 1.23417086 0.18168807 1.64109445 11.26586703 -28.54705406 36.53534337 W 0.03839703 1.45376057 1.22340307 -10.44399097 33.78773930 28.33205320