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=-0.6273842110536045 stress="-198.48023130201852 -3.349588681547546 -4.863471609073443 -3.349588681547546 -359.58217592704494 -96.55366966507431 -4.863471609073443 -96.55366966507431 -296.952313976073" pbc="F F F" Nb 0.13661615 -0.09519967 -0.12280496 -78.50043978 -160.80930435 -139.90018842 Nb 1.29869006 1.61041876 -0.23264389 87.57452234 69.37016091 -57.09737409 Nb 1.33533445 -0.25851365 1.58611608 73.58257593 -52.12824815 70.28863636 Nb 0.03369179 1.52598936 1.22329650 -82.65665849 143.56739159 126.70892615