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=111.33330917903636 stress="-9.598928845345311 -0.12406632913206775 -0.12891054051937367 -0.12406632913206775 -9.628293730360435 0.10910499897388841 -0.12891054051937367 0.10910499897388841 -5.194770068131095" free_energy=111.33330917903636 pbc="T T F" Se 2.70245745 0.16431082 0.03277713 22.12960157 -23.92437059 -59.24442095 Se 1.39971974 1.37366136 0.21813893 -32.58852681 27.75881407 -62.84118169 Se 1.49302631 0.19410236 1.33096497 -26.10490483 -31.89850177 62.74831184 Se 2.60815726 1.43300593 1.22002482 36.56383007 28.06405829 59.33729079