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=0.8352580612175791 stress="-2.5854183098850414 -0.8785375145555598 -0.627536340259757 -0.8785375145555598 -7.748725352542406 -6.164412909955079 -0.627536340259757 -6.164412909955079 -8.11713851997382" pbc="F F F"
H      -0.22958397       0.19178619       0.17895518      -1.32470865      -6.00316012      -6.23511953 
H       1.64339576       1.59022900       0.09583508       0.82627242       0.45122871      -0.73880524 
H       1.58650132      -0.12834868       1.53990620       0.58027966      -0.64962699       0.39929180 
H      -0.03396003       1.30598025       1.32157598      -0.08184343       6.20155840       6.57463298