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=1236.0383761234277 stress="-375.36157146523806 -16.15991637896768 -3.04038507928391 -16.15991637896768 -363.99351394775607 7.860780232608154 -3.04038507928391 7.860780232608154 -369.33466235379103" free_energy=1236.0383761234277 pbc="T T T"
Mo      -0.14459490       0.11115480       0.11044915    -342.35602513     633.85096899     244.07900725
Mo       1.70960170       1.31143450      -0.16166483     900.24356215    -486.68050360    -262.58264186
Mo       1.16509000      -0.16490224       1.64041416    -253.98249565     -57.06661652     328.16722515
Mo      -0.22187219       1.47773705       1.32834452    -303.90504137     -90.10384887    -309.66359054