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:Z:I:1:forces:R:3 energy=3957.6820204103915 pbc="T T F"
Es       0.04294522       0.05050352      -0.14960118       99    2485.59523284   -5209.78318477   -3941.35761027 
Es       1.75922189       1.26436618      -0.00423259       99   -2935.59107867    9842.75774812   -5893.51704877 
Es       1.26900559       0.13037541       1.24638829       99    1916.16955084   -7489.45789393    7501.22688692 
Es      -0.11653103       1.27698867       1.73500502       99   -1466.17370500    2856.48333058    2333.64777212