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=-22.3457826437 stress="-3.621419375905373 0.4180304455082868 -0.5758069491265507 0.4180304455082868 -3.904889115596836 -2.1183089530291705 -0.5758069491265507 -2.1183089530291705 -4.844221107374841" pbc="F F F" N -0.05142115 0.18843096 0.17061300 -4.66832404 -9.33755294 -12.64508305 U 1.79169807 1.46863002 -0.05369362 1.82705612 2.74987834 -2.35664380 N 1.53851086 0.14982991 1.24795387 6.17991761 -3.42346257 4.85256310 U -0.17070544 1.28747849 1.39476746 -3.33864969 10.01113717 10.14916375