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=2.439333045945273 stress="-53.593474083581896 -3.0009736614792475 -0.6182286114929489 -3.0009736614792475 -55.883678579128286 -4.87808874253118 -0.6182286114929489 -4.87808874253118 -57.00498264603806" pbc="F F F" Mo 0.26959405 0.17626233 -0.14597521 -16.11647180 -22.80262913 -28.39270137 Mo 1.70996341 1.49207130 0.15300231 21.61504631 22.13392170 -12.40852376 Mo 1.53848316 -0.04225341 1.41852158 13.12542591 -18.13981870 19.74506985 Mo -0.04210664 1.38825682 1.27041603 -18.62400041 18.80852613 21.05615528