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=123.18097019 stress="-34.08822830563813 -3.089990919959115 -0.20566686142472393 -3.089990919959115 -24.17729885884333 0.7559274601735416 -0.20566686142472393 0.7559274601735416 -34.70582712125299" pbc="F F F" Br 0.27219963 -0.06618674 0.13132919 -73.52080511 -70.04096209 -54.53607399 Br 1.75978669 1.22592512 -0.21495266 55.12115311 62.45242692 -64.31132029 Br 1.68365717 0.20288723 1.58343331 65.27190817 -37.86452544 81.29364447 Br -0.20414597 1.44809454 1.72094491 -46.87225618 45.45306061 37.55374981