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=99.3398388924434 stress="-11.107409030003948 0.5893054510998585 0.07796024338453622 0.5893054510998585 -9.310237382552897 -0.09076763061974 0.07796024338453622 -0.09076763061974 -8.702198755261813" pbc="T F F" Mo -0.14801295 0.06329927 0.09073906 55.77649126 -113.09982143 -83.20713091 Mo 1.77219963 1.43381326 0.13132919 -66.69039607 97.58603850 -77.09880856 Mo 1.75978669 0.18365717 1.70288723 -55.77869369 -88.57405959 80.44450633 Mo 0.08343331 1.29585403 1.44809454 66.69259849 104.08784252 79.86143314