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=0.708407672022792 stress="-28.091571783646238 -5.505127982937134 1.6924808015637431 -5.505127982937134 -32.975905991761266 -0.4500907815582824 1.6924808015637431 -0.4500907815582824 -29.86411924623456" pbc="F F F" Cu 0.23573857 0.02724172 -0.22461850 -12.43615384 -13.70290002 -10.27270339 Cu 1.20296332 1.34887301 0.22083292 19.40204263 17.98563644 -11.53355647 Cu 1.28984966 -0.01264569 1.42299150 5.08752535 -9.61698053 12.02717800 Cu -0.09301634 1.68107110 1.32825321 -12.05341414 5.33424411 9.77908186