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=-3.6290865109474817 stress="0.000102143741683908 1.7635881120364984e-05 6.339777654506533e-05 1.7635881120364984e-05 0.00012657521959708834 1.849713348303831e-05 6.339777654506533e-05 1.849713348303831e-05 0.00011184552345866647" free_energy=-3.6290865109474817 pbc="F F F" O 21.02598936 20.72329650 20.96375436 0.40252944 0.44792922 0.36146660 O 22.40583543 22.25559716 22.20178472 -0.54184268 -0.21756693 -0.35633303 O 24.17240962 20.77290972 20.88090187 0.03872379 0.38693105 0.30972071 O 25.36136659 22.55835534 22.24645637 -0.92205133 0.54621867 -0.82065620 O 20.98193431 23.88099539 21.20070203 0.66314583 0.02300475 0.70555015 O 21.98562266 25.40085166 22.71607440 -0.02741640 -1.03336820 0.26782551 O 24.28187239 24.01001192 20.98453339 1.23595935 -0.20383661 1.38855154 O 25.60170120 25.37793365 22.21904386 -0.70869431 -0.71299366 -0.54475237 O 21.00082602 21.24624097 24.14302402 0.59020742 0.82880000 0.39369689 O 22.35498893 22.37758928 25.70947124 -0.54584567 -0.21884710 -0.86032478 O 23.85512851 21.05280714 23.91333883 0.18783462 0.64338098 0.22921089 O 25.34655491 22.37241235 25.32230844 -0.45805389 -0.30345083 -0.43176229 O 20.91049160 23.72286420 24.13268308 0.50490263 -0.22114250 0.01936037 O 22.08301917 25.65488783 25.55988540 -0.01834750 -0.20025890 -0.35095624 O 23.70245745 24.16431082 23.81425730 -0.20250800 0.42340186 -0.12985854 O 25.37045262 25.53277713 25.33272567 -0.19854329 -0.18820181 -0.18073921