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=-31.752773636386465 stress="-2.6267754602079085 -0.39754249387061225 -0.3223414033280971 -0.39754249387061225 -4.1914798394796 0.46459382068545624 -0.3223414033280971 0.46459382068545624 -3.9708980807483125" free_energy=-31.752773636386465 pbc="T T F"
Mo      -0.29134056      -0.13449789       0.22277084      39.10563752      37.48815530     -39.99986926
Mo       1.68584377       1.68362810       0.19581920     -49.84584837     -26.04437779     -38.69496183
Mo       1.64685009       0.26959405       1.67626233     -34.05574924       6.94724564      34.11659307
Mo      -0.14597521       1.70996341       1.49207130      44.79596008     -18.39102316      44.57823803