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=-10.7968487708 stress="-3.625141653325008 -0.1046681247622222 -0.018734632854617156 -0.1046681247622222 -2.65150992005398 -0.59082450562895 -0.018734632854617156 -0.59082450562895 -3.6886187606788243" pbc="F F F" U -0.10082852 0.26235339 -0.15161904 -5.78202397 -6.28337686 -7.91343994 Mo 1.71005355 1.71211731 -0.05031310 5.23697600 5.41689899 -3.96445659 Mo 1.79594673 0.15710459 1.49042854 5.80219761 -4.73149229 4.01667254 U -0.14312801 1.47664413 1.74122900 -5.25714964 5.59797016 7.86122400