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=33.5798568796394 stress="-0.8869490047724887 0.023768427350863968 0.007444349598529342 0.023768427350863968 -0.8306266269670919 -0.01742778465046631 0.007444349598529342 -0.01742778465046631 -1.8504923684896002" free_energy=33.5798568796394 pbc="F F T" K 0.10170120 0.00082602 0.24624097 -7.97246980 -8.01778466 -1.39351835 K 1.64302402 1.35498893 0.11042859 7.86373467 7.18324666 -1.59055601 K 1.70947124 0.05280714 1.41333883 7.60415049 -7.56333538 1.34560164 K 0.15488783 1.55988540 1.20245745 -7.49541535 8.39787338 1.63847272