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=-3.649860587303324 stress="-2.786054987401762e-05 0.00011948444141762432 1.7275067052675464e-05 0.00011948444141762432 -9.723033694584754e-06 1.503862781558191e-05 1.7275067052675464e-05 1.503862781558191e-05 -6.467236496764329e-05" free_energy=-3.649860587303324 pbc="F F F" N 21.15281120 21.01980137 20.96240232 -0.26179879 -0.29401965 -0.40130486 N 22.41661558 22.46512192 22.68047504 -0.14584878 -2.17398209 0.21036947 N 24.36719131 20.72614529 21.22092868 0.44191160 0.71915450 0.43980289 N 25.40722555 22.68220204 22.26788700 -0.85262767 -0.18365809 -0.10936073 N 21.23573857 24.18444578 21.07306604 0.45599029 1.40059135 0.52116678 N 22.20296332 25.34887301 22.72083292 -2.69056076 -2.34348831 -0.85934354 N 23.77258656 23.84801097 20.92299150 0.91968714 0.22289921 -0.93268222 N 25.57787977 25.65118234 22.03045640 0.01287757 0.04029989 -0.00424566 N 21.13102478 21.09995250 23.97876641 0.66775426 0.63064970 -0.67944704 N 22.51193751 22.75226748 25.46431997 0.02675263 -0.18601440 0.93816941 N 24.04396501 21.07236142 24.20379337 1.67004017 -0.14670879 1.29991564 N 25.73854596 22.26922180 25.28229695 -1.09556885 -1.00751201 -0.68443732 N 21.28266374 24.18745344 24.02015752 -0.85548161 3.74265212 0.01427365 N 22.22808874 25.77711528 25.37871118 -0.14694644 0.03741870 1.03143397 N 23.96218432 23.73125112 23.71824351 1.84667474 -0.47035119 -0.79062127 N 25.58584772 25.56023933 25.62011072 0.00714452 0.01206907 0.00631083