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=120.79927524227271 stress="-12.530221333802777 -0.4002417070054773 0.37748184786764755 -0.4002417070054773 -10.946622406945213 -0.8561190119614894 0.37748184786764755 -0.8561190119614894 -14.892599840580088" free_energy=120.79927524227271 pbc="T F T"
Mo       0.03848316       0.19178619       0.17895518      55.34459772    -108.43032566     -59.66019689
Mo       1.79140871       1.61455359       0.03253581     -79.64744296      97.19289231     -14.51539698
Mo       1.64904689       0.10609294       1.46603997     -79.53151307    -118.94858552      32.93800121
Mo      -0.19401975       1.32157598       1.51361598     103.83435831     130.18601887      41.23759267