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=47909.49113489868 stress="-8468.859381731816 -469.8348666754883 -6240.333702635264 -469.8348666754883 -3370.3117390783154 8.720565540092744 -6240.333702635264 8.720565540092744 -9772.858009576099" pbc="F F T" Lu 0.03760582 0.02343295 0.31096674 -33381.38691109 -44947.46708996 -11450.22118749 Lu 1.22533153 1.42336434 -0.16424124 154757.80828080 45024.62512741 125617.07540297 Lu 1.78858938 0.24431200 1.25851188 29861.28912427 -23967.20288224 14634.22605402 Lu 0.08678173 1.41568165 1.65464484 -151237.71049399 23890.04484479 -128801.08026950