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=-0.018455603057675612 stress="0.06169257034790827 -0.02045593976375266 -0.04764298119164044 -0.02045593976375266 0.02624345634533406 0.013634332427706427 -0.04764298119164044 0.013634332427706427 0.0611344506691472" free_energy=-0.018455603057675612 pbc="T F F"
H       2.92299150       0.18107110       0.13102478      -0.96684558       0.55973033       0.79916781 
H       1.59995250       1.54350451       0.01193751      -0.01025562      -0.23093308       0.45049777 
H       1.75226748       0.06427536       1.57236142       0.57071272      -0.07056864      -0.57602547 
H       0.20379337       1.73854596       1.26922180       0.40638848      -0.25822861      -0.67364012