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=33.715832646619354 stress="-1.5182341585423675 -0.26370841301651415 0.29748821633043165 -0.26370841301651415 -2.795268435492852 0.2013978560241493 0.29748821633043165 0.2013978560241493 -2.6449903656193468" free_energy=33.715832646619354 pbc="F T T" Al 0.22094491 0.30205975 0.18190327 -14.00924766 -3.91321205 -3.72836939 Al 1.32183498 1.71219253 2.92485375 14.10170946 -8.47743971 6.74534047 Al 1.62990665 2.78220450 1.78278197 16.23491418 11.74956667 -10.16534227 Al 0.06210000 1.68215332 1.32702941 -16.32737599 0.64108509 7.14837119