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=97.4650430515512 stress="-9.633882197437506 -1.669130218996665 1.9514173787937532 -1.669130218996665 -15.896475963695458 0.7253629656467071 1.9514173787937532 0.7253629656467071 -14.969601852852314" pbc="F T T" Mo 0.22094491 0.30205975 0.18190327 -90.76862319 -19.45740902 -25.30145066 Mo 1.32183498 1.71219253 -0.07514625 98.14177486 -48.25033904 29.52049267 Mo 1.62990665 -0.21779550 1.78278197 96.24932177 69.48552343 -54.76265806 Mo 0.06210000 1.68215332 1.32702941 -103.62247344 -1.77777538 50.54361605