16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-37.547190570571495 stress="-67.08642092263807 -8.558855728315288 5.333670674798563 -8.558855728315288 -62.34261613783728 6.261139931870218 5.333670674798563 6.261139931870218 -56.40632417261021" pbc="F F F" U 0.09344523 -0.10244477 -0.05190546 1.02635254 1.05910654 1.03930040 U 1.72094491 1.73171545 1.68190327 -11.39731969 -8.80839301 -8.41597746 U 2.69976863 -0.06876361 -0.07432024 -0.92671416 -0.36221072 -0.61687362 U 4.48489559 1.39263309 1.99225321 5.30431140 -0.64206043 -1.58185592 U -0.08277149 3.18643573 -0.01808276 -0.02312898 -1.02002613 -0.29484560 U 1.57034430 4.54852473 1.55473499 -5.62204092 9.85032854 -6.14082777 U 2.97549609 2.83907360 -0.09519967 1.11256920 0.27354555 -5.16627170 U 4.37719504 4.29869006 1.61041876 11.41834182 8.65216050 -6.62408850 U -0.06833307 -0.17622490 2.77426349 -0.34909168 0.13116001 -0.88132541 U 1.48583582 1.40735315 4.52598936 -2.15445114 0.50571570 3.43634139 U 2.68427323 -0.03624564 2.90583543 0.78340025 -8.65845052 1.29330584 U 4.03779023 1.41992365 4.56590896 1.96053780 0.94151743 2.28613754 U -0.22709028 3.07500422 2.69233156 -4.83926070 -1.23701941 -0.19926649 U 1.44036732 4.17946230 4.20195913 -1.84091458 3.66958277 6.08514344 U 2.92001865 3.20070203 2.70342959 6.05187264 -3.62732251 16.54539721 U 4.17781593 4.41455105 4.74699431 -0.50446381 -0.72763431 -0.76429335