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=43.15389954139606 stress="-2.157676102813578 0.10290013163978118 0.22444545553450618 0.10290013163978118 -2.2792324224163747 0.18466456379780533 0.22444545553450618 0.18466456379780533 -2.6160063983246293" free_energy=43.15389954139606 pbc="F F T" Mo 0.29874826 0.05835534 -0.25354363 -20.55875720 -22.66861459 0.80910351 Mo 1.48193431 1.42001865 0.20070203 22.66830315 23.53421799 -7.14075977 Mo 1.20342959 0.28187239 1.36500085 28.15644535 -27.95083344 3.30068130 Mo 0.10170120 1.37793365 1.32947245 -30.26599130 27.08523004 3.03097496