16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-36.11652142075847 stress="-0.0010199532995590248 -1.0831673166870368e-06 -0.0001916962092136408 -1.0831673166870368e-06 -0.0010226209436393389 8.795761281467002e-05 -0.0001916962092136408 8.795761281467002e-05 -0.0009564183720097259" free_energy=-36.11652142075847 pbc="F F F" U 21.05134784 21.46048872 21.00779751 -1.13375810 -1.13017923 -2.89824261 U 22.28504734 22.68365717 22.70288723 -2.09306779 -6.33774693 -11.43682712 U 24.09344523 20.89755523 20.82602819 0.11176481 0.12040084 0.10936800 U 25.72094491 22.45075931 22.68272929 1.46662993 -0.86074739 -0.28280846 U 21.06807595 24.35521655 20.77984268 -0.63920339 0.23218888 -1.05418374 U 22.62990665 25.28220450 22.78278197 -10.96140825 20.12080018 -12.26396642 U 24.17252859 24.34309983 20.82702941 -1.53550130 -2.43154413 -5.81999228 U 25.42547280 25.46186356 22.40128990 4.96914507 3.61717035 1.99698134 U 20.91561068 21.13661615 23.77721269 -5.30286412 -6.09506216 2.25099192 U 22.19950348 22.20918166 25.61041876 0.45865663 -1.58815638 5.39502520 U 23.76735611 20.83533445 23.46435056 2.64725265 -3.61449065 0.03287444 U 25.52469681 22.28574600 25.68087718 -0.29075498 0.33290220 0.10797755 U 20.72329650 23.96375436 23.90583543 -9.56316995 3.38370403 2.36062720 U 22.31548256 24.90424218 25.61300556 -0.38510145 1.56253033 4.60218093 U 23.77290972 23.88090187 23.86136659 21.69544114 -7.26211486 16.55708779 U 25.54679599 25.27923350 25.38165405 0.55593911 -0.04965506 0.34290626