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=37.012993467289185 stress="-4.4068178358360965 0.0034406172662492444 -0.5203320329353011 0.0034406172662492444 -6.087417305899078 -0.3000934201331723 -0.5203320329353011 -0.3000934201331723 -4.021159058427674" pbc="F T F" Au 0.15720406 -0.23435154 0.29768454 -64.19975045 9.23107574 -44.83166827 Au 1.48273691 1.36065667 0.17089611 29.62862266 -20.64122486 -47.10353256 Au 1.47011124 -0.29779682 1.21755886 62.98881716 21.58375976 55.32509696 Au 0.26235339 1.34838096 1.71005355 -28.41768936 -10.17361064 36.61010387