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=32.96256546132407 stress="-6.676865679281605 -0.25077151036358936 0.08625325149160058 -0.25077151036358936 -6.360854806304102 0.6712872237534246 0.08625325149160058 0.6712872237534246 -4.588821110079281" pbc="T T F" Mo 0.20996341 -0.00792870 0.15300231 -8.49167484 -5.70820244 -43.88306812 Mo 1.53848316 1.45774659 0.19178619 9.85057887 14.38217046 -54.05308860 Mo 1.64499516 0.29140871 1.61455359 -3.53121729 -26.67264406 46.55116559 Mo 0.04615180 1.50103395 1.28091226 2.17231327 17.99867604 51.38499113