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=2.432198038741911 stress="-1.2372554054426625 1.4969485297724627 -0.04088927100914499 1.4969485297724627 -3.010560752011871 0.6178464981610093 -0.04088927100914499 0.6178464981610093 -2.103234744471346" free_energy=2.432198038741911 pbc="F T F" Si 0.26935328 2.65103594 0.29811016 -0.21363890 0.31861044 -9.30968347 C 1.28391740 1.26010779 0.05926218 -2.80550031 13.83488445 -30.48655698 C 1.22754451 0.23715536 1.52704010 35.63344367 -54.13245164 33.83459724 Si 0.20470050 1.27493780 1.62749873 -32.61430446 39.97895675 5.96164321