4
Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=35.065936406463166 stress="-20.07803930190685 0.8620590530147175 0.06563824316014466 0.8620590530147175 -18.831981618003773 -0.5468583381331231 0.06563824316014466 -0.5468583381331231 -21.1056644558678" free_energy=35.065936406463166 pbc="T T T"
H       0.11042859       0.20947124       1.35512851      -2.09621043      -6.86774730      -1.20594728 
H       0.80280714       0.66333883       1.34655491      -2.76482124       3.52605267      -3.48496879 
H       0.62241235       1.32230844       0.66049160      -2.19180693       2.06342749      -0.74047562 
H       1.22286420       0.68858073       0.50205420       7.05283861       1.27826715       5.43139169