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=118.78632851928934 stress="-10.58171780855029 -1.9844800310417967 -0.907377831855416 -1.9844800310417967 -13.439894840072098 1.1230263770427458 -0.907377831855416 1.1230263770427458 -9.583081198390254" free_energy=118.78632851928934 pbc="F T F"
Mo       0.04852473       0.01848935       0.13661615    -136.39066806     -12.10715162    -114.65160492
Mo       1.40480033       1.28303047       0.11041876      88.72832196      31.28303517     -95.00488071
Mo       1.26735611      -0.16466555       1.24148635     138.47704723      10.05163269     123.15086672
Mo       0.08611608       1.53369179       1.52598936     -90.81470113     -29.22751625      86.50561891