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=-4.44762718062 stress="-0.5360848725911932 -0.06925883555994038 0.17787799645678506 -0.06925883555994038 -0.3694144956504235 -0.09411413954885794 0.17787799645678506 -0.09411413954885794 -0.45467674963141236" pbc="F F F" Cu -0.24440284 -0.29821528 0.29874826 -0.97702023 -1.04174125 -0.56371457 Cu 1.27290972 1.38090187 -0.13863341 1.54519967 0.27479450 -1.48878314 Cu 1.55835534 -0.25560816 1.48193431 0.53875001 -0.08434546 0.53814073 Cu -0.07998135 1.70070203 1.20342959 -1.10692945 0.85129221 1.51435699