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=30.858018288859213 stress="-148.16997021916788 16.471076658211395 -19.879573771015956 16.471076658211395 -114.69003925472654 6.748256250525316 -19.879573771015956 6.748256250525316 -145.6642463328859" pbc="F F F" U 0.04852473 0.05473499 -0.08438932 -54.29566638 -30.51675861 -63.19298394 U 1.63661615 1.40480033 -0.12280496 27.36286847 45.49565862 -35.97654354 U 1.29869006 0.11041876 1.26735611 75.48202470 -62.81159316 67.07569411 U -0.16466555 1.24148635 1.58611608 -48.54922678 47.83269315 32.09383337