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=-1.0940946659158812 stress="-5.951998333095161 -0.03125876844537759 -0.1106511287836035 -0.03125876844537759 -5.818102631426507 -0.22279439250927643 -0.1106511287836035 -0.22279439250927643 -7.708341621149981" free_energy=-1.0940946659158812 pbc="F F T"
Mo       0.08611608       0.03369179       0.02598936     -56.68851322     -67.84140664     -19.18043195
Mo       1.22329650       1.46375436      -0.09416457      53.13963797      67.55261460     -12.69004680
Mo       1.25559716       0.29874826       1.27290972      83.83696417     -63.45209932      15.28780648
Mo       0.05835534       1.24645637       1.48193431     -80.28808892      63.74089136      16.58267226