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=48.402548673610646 stress="-5.589197334819668 -0.4131862810169762 0.07482354895176757 -0.4131862810169762 -7.53987617569913 -0.32268789115032587 0.07482354895176757 -0.32268789115032587 -7.176432895686077" pbc="F T T" Mo 0.28278197 0.06210000 0.13362859 -67.11063417 -55.42804222 -40.30998382 Mo 1.32702941 1.31183065 0.04852473 67.71599893 45.65773510 -33.44296527 Mo 1.55473499 0.00172677 1.35991264 55.45304102 -24.12068861 31.58227348 Mo 0.11041876 1.26735611 1.33533445 -56.05840577 33.89099573 42.17067561