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=18.228090618768803 stress="-3.7447069704833473 -0.203079539337249 0.05463487381224471 -0.203079539337249 -3.5738525191189097 0.532167690052373 0.05463487381224471 0.532167690052373 -3.4153992039702" pbc="T T F" Mo 0.20996341 -0.00792870 0.15300231 -5.91590292 -2.83471128 -32.62890357 Mo 1.53848316 1.45774659 0.19178619 6.63812399 10.32367302 -40.18476679 Mo 1.64499516 0.29140871 1.61455359 -2.75143798 -18.94862718 34.90885362 Mo 0.04615180 1.50103395 1.28091226 2.02921691 11.45966544 37.90481675