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=14.140741556179936 stress="-3.7074495503019245 -0.06146504334168967 -0.11215615761354858 -0.06146504334168967 -3.265536463146652 -0.21033510816478124 -0.11215615761354858 -0.21033510816478124 -2.8527474945847326" pbc="T F T" Mo -0.02432459 0.06329927 -0.06254558 -14.62866460 -27.16211028 22.07818042 Mo 1.27846858 1.49451428 -0.15873180 18.04420355 33.55678942 32.79336072 Mo 1.34140700 0.09073906 1.77219963 12.20954958 -32.56515206 -29.06997482 Mo -0.06618674 1.63132919 1.75978669 -15.62508852 26.17047292 -25.80156632