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=147959.84877731648 stress="-21546.01983130942 -1272.9785879486049 6347.136026557047 -1272.9785879486049 -23109.87134369082 -685.7910797070282 6347.136026557047 -685.7910797070282 -21713.24439952551" pbc="F T T" Lu 0.28752373 -0.12162168 -0.04792295 -186976.74058078 164234.11065225 -79214.69414501 Lu 1.33650641 1.69444560 0.26145442 402023.68426607 -246333.36416160 -433193.88164771 Lu 1.77536081 -0.13629101 1.26027917 108800.73637719 197217.74434000 188993.51742694 Lu 0.29323974 1.21862697 1.29345498 -323847.68006248 -115118.49083065 323415.05836579