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=-36.1165214208 stress="-0.6663400555496137 -0.0007076380558645239 -0.12523599144322764 -0.0007076380558645239 -0.6680828393667108 0.05746310211877308 -0.12523599144322764 0.05746310211877308 -0.6248324030219485" pbc="F F F" U 0.05134784 0.46048872 0.00779751 -1.13375810 -1.13017923 -2.89824261 U 1.28504734 1.68365717 1.70288723 -2.09306779 -6.33774693 -11.43682712 U 3.09344523 -0.10244477 -0.17397181 0.11176481 0.12040084 0.10936800 U 4.72094491 1.45075931 1.68272929 1.46662993 -0.86074739 -0.28280846 U 0.06807595 3.35521655 -0.22015732 -0.63920339 0.23218888 -1.05418374 U 1.62990665 4.28220450 1.78278197 -10.96140825 20.12080018 -12.26396642 U 3.17252859 3.34309983 -0.17297059 -1.53550130 -2.43154413 -5.81999228 U 4.42547280 4.46186356 1.40128990 4.96914507 3.61717035 1.99698134 U -0.08438932 0.13661615 2.77721269 -5.30286412 -6.09506216 2.25099192 U 1.19950348 1.20918166 4.61041876 0.45865663 -1.58815638 5.39502520 U 2.76735611 -0.16466555 2.46435056 2.64725265 -3.61449065 0.03287444 U 4.52469681 1.28574600 4.68087718 -0.29075498 0.33290220 0.10797755 U -0.27670350 2.96375436 2.90583543 -9.56316995 3.38370403 2.36062720 U 1.31548256 3.90424218 4.61300556 -0.38510145 1.56253033 4.60218093 U 2.77290972 2.88090187 2.86136659 21.69544114 -7.26211486 16.55708779 U 4.54679599 4.27923350 4.38165405 0.55593911 -0.04965506 0.34290626