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=-3.4890108264024597 stress="-0.7051758909805993 0.055103808400137844 0.020950882677234044 0.055103808400137844 -0.6754655270982141 0.004762808213039817 0.020950882677234044 0.004762808213039817 -0.6877824821403505" pbc="T F F" Cu -0.14801295 0.06329927 0.09073906 4.07906622 -7.98529346 -6.35280614 Cu 1.77219963 1.43381326 0.13132919 -4.49906216 7.03741905 -6.32126424 Cu 1.75978669 0.18365717 1.70288723 -3.74084565 -6.67541970 6.37180413 Cu 0.08343331 1.29585403 1.44809454 4.16084160 7.62329411 6.30226625