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=13.759010890301973 stress="-2.320806259341718 -0.03348787442184089 0.534645164232411 -0.03348787442184089 -0.9618056972220049 0.6498782492736708 0.534645164232411 0.6498782492736708 -2.888387791759233" free_energy=13.759010890301973 pbc="F T T" O 0.23171545 0.18190327 2.82183498 -19.75845675 -9.08918007 24.92960244 O 1.71219253 1.34046443 0.12990665 21.77149989 5.65903989 -5.08308756 O 1.28220450 0.28278197 1.56210000 26.32138964 -6.21417738 -7.71103437 O 0.13362859 1.32702941 1.57034430 -28.33443279 9.64431756 -12.13548051