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=27.494988979008475 stress="-3.6263464636316316 0.39067835894617636 0.28107354793633177 0.39067835894617636 -3.55377913542229 -0.09279858156991673 0.28107354793633177 -0.09279858156991673 -3.0593424480995735" pbc="F F T" S 0.27410067 0.26988087 0.17980802 -35.80697469 -36.78027197 -9.59737173 S 1.43886369 1.43626581 0.24706405 39.34435515 36.31444568 -14.11433961 Mo 1.44011901 0.27405519 1.65064923 42.21004313 -42.98649766 8.41289892 Mo 0.21143441 1.50744077 1.47140412 -45.74742359 43.45232395 15.29881242