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=128.6826790704644 stress="-13.97084371554897 1.7498425227442669 -1.1414832579749894 1.7498425227442669 -14.493736547055788 -2.22444876873569 -1.1414832579749894 -2.22444876873569 -16.756438741603073" free_energy=128.6826790704644 pbc="T T T"
Mo      -0.14459490       0.11115480       0.11044915      62.92737345    -133.09641854     -41.54383849
Mo       1.70960170       1.31143450      -0.16166483    -100.48489738     105.97488871      19.16660883
Mo       1.28829595       0.03769167       1.64041416     -16.74947898     -80.59368645     -31.21715589
Mo      -0.22187219       1.22744829       1.32834452      54.30700291     107.71521628      53.59438555