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=23.880913342438905 stress="-1.630063026690163 0.014613059956657605 -0.1535567760673954 0.014613059956657605 -1.9657644308480664 0.30522595163705235 -0.1535567760673954 0.30522595163705235 -1.8443400812052417" free_energy=23.880913342438905 pbc="F T F" Mo 0.08611608 0.23439382 0.02598936 -19.25104372 -0.43096678 -21.67129627 Mo 1.22329650 1.46375436 0.29874826 18.22911639 8.34302807 -17.53208919 Mo 1.27290972 2.88090187 1.36136659 19.19245522 -8.31722783 20.72488248 Mo 0.05835534 0.94988596 1.48193431 -18.17052789 0.40516654 18.47850299