16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=55.49771455337989 stress="-0.00316863662811902 1.3358429033739308e-05 -0.000209095835483502 1.3358429033739308e-05 -0.0031285317497588834 3.651820168437596e-05 -0.000209095835483502 3.651820168437596e-05 -0.003087957595769406" pbc="F F F" Hg 20.80076581 20.80232081 20.83719543 -0.53533203 -1.06120457 -1.06954236 Hg 22.77219963 22.43381326 22.63132919 -18.24331663 -10.36532571 -17.86067676 Hg 24.24172100 20.72592512 20.78504734 0.18120561 -5.70172383 -4.79450357 Hg 25.68365717 22.70288723 22.58343331 31.48316408 -11.82857595 0.36684412 Hg 20.79585403 23.86811319 21.22094491 -3.71034822 0.96706070 -4.55909994 Hg 22.73171545 25.68190327 22.32183498 -9.83192564 11.63132757 -5.94068118 Hg 24.41289456 23.62828333 21.12990665 -3.85988218 7.76008748 -29.83453853 Hg 25.28220450 25.78278197 22.56210000 11.73932324 12.38129427 -4.46228890 Hg 21.13362859 20.82702941 23.97119596 -8.56290197 -10.02614585 0.45570240 Hg 22.54852473 22.55473499 25.41561068 -4.10764475 -5.30484401 22.86176084 Hg 24.13661615 20.90480033 23.87513051 6.43965533 -23.02229945 4.13195765 Hg 25.29869006 22.89229115 25.26735611 15.24638893 -4.42831188 17.97013994 Hg 20.83533445 23.74148635 24.09612800 -16.46347452 5.81400579 -0.10557535 Hg 22.53369179 25.52598936 25.22329650 -5.75487735 9.49219824 7.83305586 Hg 23.96375436 23.90583543 23.75559716 -0.69924150 16.75601703 7.84914901 Hg 25.20178472 25.79874826 25.27290972 6.67920761 6.93644015 7.15829677