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=-0.45519204653625306 stress="0.11689463125279762 -0.021856472796633525 0.016428284249593028 -0.021856472796633525 0.10189071548998073 0.018542528958360633 0.016428284249593028 0.018542528958360633 0.08772929521136434" free_energy=-0.45519204653625306 pbc="T T T"
H       0.11042859       0.20947124       2.85512851       0.30804790       1.07714617       0.30726551 
H       1.55280714       1.41333883       2.84655491       0.45566731      -0.51666638       0.53498946 
H       1.52730018       2.82230844       1.41049160       0.72535990      -0.82630265       0.06184647 
H       2.72286420       1.43858073       1.25205420      -1.48907510       0.26582287      -0.90410145