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=-38.01745959527965 stress="-3.1369922149941205 -0.16686085919070592 -0.4317528140603204 -0.16686085919070592 -3.1003077394622243 0.1471975327133116 -0.4317528140603204 0.1471975327133116 -3.5753111145487186" free_energy=-38.01745959527965 pbc="F T T"
Mo       0.18365717       0.20288723       0.08343331     -35.58255184     -40.40199947     -15.66005534
Mo       1.29585403       1.44809454       0.22094491      31.02617711      41.40007055     -22.51592454
Mo       1.73171545       0.18190327       1.32183498      32.94557411     -27.31864356      23.43505359
Mo       0.21219253       1.42485375       1.62990665     -28.38919938      26.32057247      14.74092628