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=50.10428941753579 stress="-4.16246446070943 -0.11668837644928498 0.28131022978436954 -0.11668837644928498 -4.303883751506701 0.37847795170620596 0.28131022978436954 0.37847795170620596 -6.090241322616816" pbc="T F T" W -0.25204613 0.28095696 -0.17535412 36.84321037 -46.43576239 13.10391705 W 1.76008946 1.37675974 -0.17769535 -38.58478399 45.86094992 19.02039241 W 1.78460712 0.11893942 1.32523627 -30.44397816 -45.92388270 -6.59064012 W -0.16114480 1.53926819 1.73010044 32.18555178 46.49869517 -25.53366934