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=56.798192503153935 stress="-2.7723887412972648 0.013507399181972224 -0.009828309384245438 0.013507399181972224 -1.224867705138895 -0.0021292706388759664 -0.009828309384245438 -0.0021292706388759664 -2.8350976233101295" free_energy=56.798192503153935 pbc="T F T" K -0.08147842 0.19178619 0.17895518 2.40798688 -12.08566842 -2.81653606 K 1.79140871 1.61455359 0.09583508 -2.86543180 13.88029280 -2.30923446 K 1.64904689 0.10609294 1.40349439 -2.62885328 -12.62917513 2.01405474 K -0.19401975 1.32157598 1.29208456 3.08629821 10.83455075 3.11171578