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=30.285196910757563 stress="-1.5141279447667289 0.07442003553478305 0.0036958411473429756 0.07442003553478305 -1.6704236204266438 0.02237774218004997 0.0036958411473429756 0.02237774218004997 -1.7566934923802395" free_energy=30.285196910757563 pbc="T F F" Mo -0.14801295 0.06329927 0.09073906 7.25027699 -19.69718339 -16.28574052 Mo 1.77219963 1.43381326 0.13132919 -8.81471652 17.56186643 -16.01997741 Mo 1.75978669 0.18365717 1.70288723 -7.32163002 -16.54451620 16.60422091 Mo 0.08343331 1.29585403 1.44809454 8.88606954 18.67983316 15.70149701