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=-18.60740629584642 stress="-12.48423850049465 -2.7182760630835054 2.9757237044125198 -2.7182760630835054 -10.18494751165455 1.396658480778453 2.9757237044125198 1.396658480778453 -10.583360360916522" pbc="F F F" Nb -0.17769156 -0.08950840 -0.27713580 -3.59889759 -3.38010753 -1.86065914 Nb 1.43858073 1.25205420 0.15488783 6.95726088 5.12941845 -4.94276750 Nb 1.45960515 -0.29754255 1.66431082 0.73684836 -3.39523633 3.08014491 Nb -0.18574270 1.48844065 1.53277713 -4.09521165 1.64592541 3.72328173