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=1007.4151351038172 stress="-3361.1638693865198 30.61838303271793 -577.9961363895657 30.61838303271793 -4640.373407181482 -2229.8880703980894 -577.9961363895657 -2229.8880703980894 -4800.003789254613" pbc="F F F"
Es      -0.02654812      -0.02077573       0.23743315   -1382.60312955   -2799.03608339   -3043.25203420 
Es       1.36246266       1.48113220      -0.01558624     868.22021974     869.76190163    -480.36376219 
Es       1.39252721      -0.13655831       1.62711987    1378.82207967    -482.55298260    1246.10982790 
Es      -0.25622793       1.33844268       1.53128712    -864.43916986    2411.82716436    2277.50596849