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=-21.45588452 stress="-1.012458021985724 0.1589152704387563 -0.24644033154508846 0.1589152704387563 -1.2405673109329247 -0.158611325615016 -0.24644033154508846 -0.158611325615016 -0.9119733173585937" pbc="F F F" Nb -0.25700868 -0.27385439 0.26441608 -1.84047693 -1.78859990 -2.08827390 Nb 1.38408001 1.54880032 0.04821846 0.77066691 1.11436252 -1.03998952 Nb 1.42947427 -0.24033833 1.63442096 2.38929881 -1.78822561 1.60328849 Nb -0.09913544 1.45638147 1.68070570 -1.31948880 2.46246299 1.52497493