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=-5.460352742812061 stress="-66.23139728406373 -12.664220396877809 23.31083790470626 -12.664220396877809 -75.60448448518868 -8.845161717935126 23.31083790470626 -8.845161717935126 -86.37624763545583" pbc="F F F" Nb 0.13661615 -0.09519967 -0.12280496 -21.46951840 -34.34360506 -24.55188370 Nb 1.29869006 1.61041876 -0.23264389 39.41744641 23.16785460 -32.68936278 Nb 1.33533445 -0.25851365 1.58611608 14.27283607 -10.07056905 15.80167646 Nb 0.03369179 1.52598936 1.22329650 -32.22076408 21.24631952 41.43957003