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=68.64323371837463 stress="-3.864914402422334 -0.6399827023497198 0.05268628561317806 -0.6399827023497198 -5.490289971525071 -0.2916811573640128 0.05268628561317806 -0.2916811573640128 -4.180959269306963" free_energy=68.64323371837463 pbc="F T T" Li 0.24041959 0.24866818 0.17291501 -37.39715201 -4.30507358 -18.10141274 Li 1.37700927 1.37888413 0.37090109 41.07811585 -1.48097411 -23.75176237 Li 1.54825179 2.75359040 1.37720799 43.60559859 14.41086000 19.78071088 Li 0.22699235 1.85002601 1.39628927 -47.28656242 -8.62481231 22.07246423