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=-5.902502534913156 stress="-23.486294509158114 2.0478395584584055 -4.905890367609801 2.0478395584584055 -35.685184161721324 -15.348810440959582 -4.905890367609801 -15.348810440959582 -33.17637221392733" pbc="F F F" Mo -0.14459490 0.11115480 0.11044915 -9.33119205 -19.15098389 -20.80989360 Mo 1.70960170 1.31143450 -0.16166483 6.06671569 4.15942142 -3.43331093 Mo 1.28829595 -0.16490224 1.64041416 8.27039085 -5.69586738 8.70457563 Mo -0.22187219 1.51878885 1.32834452 -5.00591450 20.68742985 15.53862890