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=-2.70205186425 stress="-7.632394206209667 -1.1571916007029404 1.0915674773095732 -1.1571916007029404 -6.250060571792145 0.5683405303251002 1.0915674773095732 0.5683405303251002 -6.6385918964836526" pbc="F F F" U -0.17769156 -0.08950840 -0.27713580 -13.59542424 -12.54332656 -8.65663782 U 1.43858073 1.25205420 0.15488783 23.13747583 17.78443164 -16.69485592 U 1.55988540 -0.29754255 1.66431082 5.02375769 -12.47432174 11.78600895 U -0.18574270 1.48844065 1.53277713 -14.56580928 7.23321667 13.56548479