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=-3.280108738877096 stress="-40.4793014193926 -8.323378664882569 8.073626878252872 -8.323378664882569 -33.89965024714632 3.761346933478144 8.073626878252872 3.761346933478144 -35.28165543717485" pbc="F F F" U -0.17769156 -0.08950840 -0.27713580 -11.90566431 -11.62494346 -6.71104377 U 1.43858073 1.25205420 0.15488783 21.78202550 16.95394151 -15.82337160 U 1.55988540 -0.29754255 1.66431082 2.97549128 -10.95405811 10.12969366 U -0.18574270 1.48844065 1.53277713 -12.85185247 5.62506006 12.40472172