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=-1.1668704568256123 stress="0.15195977251042173 -0.0034387231557655826 -0.02713038040565621 -0.0034387231557655826 0.13049530155999647 -0.038031875198481696 -0.02713038040565621 -0.038031875198481696 0.16189645336671482" free_energy=-1.1668704568256123 pbc="T T F"
H        0.04012291      -0.01155935       0.03277713       1.26118601       0.89336287       1.17933466
H        1.12586504       1.37366136       0.21813893      -2.36647573      -1.88889603       2.74515455
H        1.26716069       0.19410236       1.33096497      -1.27165975       1.75811417      -1.98945748
H       -0.09695658       1.43300593       1.22002482       2.37694947      -0.76258101      -1.93503172