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=251.7319097036546 stress="-12.00686768863321 0.1582392465796763 -0.27979606040193955 0.1582392465796763 -19.009400291203963 -0.47627085226755617 -0.27979606040193955 -0.47627085226755617 -10.80232116024944" free_energy=251.7319097036546 pbc="F T F" K 0.01200566 2.71266052 0.03982750 -94.88142427 34.75242990 -106.71273915 K 1.71736712 1.56008821 0.20270815 107.25250599 -48.72189143 -134.29832912 K 1.77898347 2.78007388 1.37238155 92.15595191 48.65294123 119.73636281 K 0.21823327 1.40959985 1.30952440 -104.52703363 -34.68347971 121.27470545