4
Lattice="3.5 0.0 0.0 0.0 3.5 0.0 0.0 0.0 3.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-17.206259708346746 pbc="F T T"
Nb      -0.06140248      -0.10065497       0.05520938       41      -9.31638391      -0.77667375      -3.95457361 
Nb       1.63367805       1.66766722      -0.12925682       41       9.65464344       1.40357719       1.25446084 
Nb       1.79305804       0.01684590       1.76299468       41       8.29681107      -2.46651101      -1.49659815 
Nb      -0.13835175       1.60967576       1.55381008       41      -8.63507059       1.83960757       4.19671091