12
Lattice="5.975716835311959 0.0 0.0 0.0 5.975716835311963 0.0 0.0 0.0 5.6725609079310395" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-54.88082206612717 pbc="T T T"
Pb      -0.09780975      -0.09780975      -0.11114949       0.00000000
Br       2.92994023       0.00223252      -0.07996441       0.00000000
Br       0.00223252       2.92994023      -0.07996441       0.00000000
Cl       0.08682742       0.08682742       2.77320240       0.00000000
N        2.30350291       2.30350291       2.21608756       0.00000000
H        1.65946303       2.83318483       1.58268609       0.00000000
H        1.67782507       1.67782507       2.77484224       0.00000000
H        2.83318483       1.65946303       1.58268609       0.00000000
C        3.17073761       3.17073761       3.03757421       0.00000000
H        3.81332890       2.54329585       3.67127662       0.00000000
H        2.54329585       3.81332890       3.67127662       0.00000000
H        3.79240315       3.79240315       2.37732493       0.00000000