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=9.895620433070215 stress="-2.286449908663872 0.10329003657452628 -0.028736695917018485 0.10329003657452628 -2.011856095041766 0.4744211831658039 -0.028736695917018485 0.4744211831658039 -1.9174939866091778" pbc="T F F" Cu 0.08343331 0.22094491 0.23171545 -14.05843763 -14.68497554 -18.66495589 Cu 1.50893269 1.32183498 0.21219253 9.99799531 30.74729118 -25.60854293 Cu 1.42485375 0.12990665 1.28220450 13.43478351 -29.33457531 30.71848494 Cu 0.28278197 1.56210000 1.63362859 -9.37434119 13.27225967 13.55501389