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=12.272203776739723 stress="-39.061989519083234 7.54064727920966 -2.1703108227730787 7.54064727920966 -42.70169892190001 0.9274026858268201 -2.1703108227730787 0.9274026858268201 -37.096403734130675" pbc="F F F" Mo -0.12320595 -0.04105180 0.20259391 -14.07429618 -10.02408391 -9.16039805 Mo 1.56504129 1.20865944 -0.13449789 10.59125312 8.21251561 -13.05325457 Mo 1.28802619 0.22277084 1.68584377 18.21138562 -19.88527063 15.74751616 Mo 0.18362810 1.69581920 1.64685009 -14.72834256 21.69683892 6.46613647