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=-3.7090246073437694 stress="-34.81205550949913 0.6996763031573829 2.7315149208360197 0.6996763031573829 -27.820582089963494 -0.3402909779761032 2.7315149208360197 -0.3402909779761032 -43.36843539629942" pbc="F F F"
Mo       0.23171545       0.18190327      -0.17816502      -9.65199282      -9.39809004     -15.13473376 
Mo       1.71219253       1.42485375       0.12990665      13.54093426      11.25931292     -11.82295101 
Mo       1.28220450       0.28278197       1.56210000      12.52294996     -15.28100346      15.16337545 
Mo       0.13362859       1.32702941       1.57034430     -16.41189140      13.41978057      11.79430931