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=112.70837139413979 stress="-12.16136723829459 0.6232314169129536 0.09911198934227101 0.6232314169129536 -10.041416613484781 -0.05808105313030338 0.09911198934227101 -0.05808105313030338 -9.590894838895041" free_energy=112.70837139413979 pbc="T F F"
W       -0.14801295       0.06329927       0.09073906      57.90333121    -121.58474587     -91.28776477
W        1.77219963       1.43381326       0.13132919     -68.79634381     105.57943523     -85.30216623
W        1.75978669       0.18365717       1.70288723     -57.57332251     -95.92971995      89.17554379
W        0.08343331       1.29585403       1.44809454      68.46633511     111.93503058      87.41438722