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=74.10614502674993 stress="-0.6237536726404264 0.5225176415637981 0.7762512092306465 0.5225176415637981 -26.889517950942558 1.1582156251200855 0.7762512092306465 1.1582156251200855 -0.24513783638709394" free_energy=74.10614502674993 pbc="F T F"
Mo       0.31112079      -0.23264389       0.08611608       3.64033857      45.39771333      14.95805596
Mo       1.53369179       1.22941894       0.29874826      13.79051323     -28.50840314     -24.15435764
Mo       1.27290972      -0.11909813       1.36136659      -3.64285831      13.56591102       8.97130842
Mo       0.05835534       1.24645637       1.48193431     -13.78799350     -30.45522121       0.22499326