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=-11.307438798836872 stress="0.596110193671348 -0.3116844750688391 0.01447852052037954 -0.3116844750688391 0.9545859387227744 0.057243282959292555 0.01447852052037954 0.057243282959292555 0.7472991502128248" free_energy=-11.307438798836872 pbc="F T F" C 0.13362859 -0.17297059 0.07034430 5.89544378 -2.43070186 8.89682748 C 1.54852473 1.55473499 0.13661615 -5.70570073 3.78283364 7.71982223 C 1.40480033 -0.03668887 1.29869006 -6.20095881 2.34226311 -9.03855292 C 0.11041876 1.26735611 1.33533445 6.01121576 -3.69439489 -7.57809679