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=172.62101423286245 stress="-13.500652819682061 0.815504746488262 4.364816281897145 0.815504746488262 -11.410341550818641 2.5792380178891308 4.364816281897145 2.5792380178891308 -17.693322600139474" free_energy=172.62101423286245 pbc="F F T"
Mo       0.29874826       0.05835534      -0.25354363    -138.22772775    -113.76709696      77.57949262
Mo       1.48193431       1.42001865       0.20070203     130.94722901     111.89186117     -70.46207590
Mo       1.20342959       0.28187239       1.51001192     191.53295526    -139.81486711     -32.56951645
Mo       0.10170120       1.37793365       1.21904386    -184.25245652     141.69010290      25.45209973