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=-69.42798234429634 stress="0.0006372508144489863 8.685222032065219e-05 8.674666529986325e-05 8.685222032065219e-05 0.0008149252512054162 -0.00011351322794639526 8.674666529986325e-05 -0.00011351322794639526 0.0009118396453135653" free_energy=-69.42798234429634 pbc="F F F" U 20.91062519 20.87728820 21.28055862 1.62166934 3.70041217 7.51723131 N 22.22950407 22.29998375 22.73232047 0.62225470 -5.09094774 -3.34637977 U 24.14379487 21.49240758 20.96119360 -1.92649076 0.96881154 0.46292279 U 25.74741067 22.60895215 22.25381041 -1.80166444 3.59028817 1.60496794 U 21.25912702 23.74222034 20.85844045 4.44871349 0.57263010 9.10585260 N 22.44971348 25.22817044 22.28613550 -2.48907643 -6.06901195 -2.91596811 N 24.19673490 23.84323236 21.17171396 1.75799685 -1.14770515 0.02555986 U 25.65809073 25.31702931 22.43585131 -4.31609685 -4.03870081 3.23951796 N 20.73253452 21.02826565 23.73116772 2.53589649 0.63344559 -6.46595815 U 22.56799256 22.76554664 25.65599623 2.84469485 6.75699839 -7.84197082 U 23.92244881 20.93792997 23.72201657 -1.40548696 3.48504648 0.26023231 U 25.52728466 22.35646128 25.42360581 -4.91883595 2.63864229 -3.17852085 N 21.25902706 23.73427539 23.49985960 -0.84226204 3.57918793 0.85237931 N 22.51446938 25.36276734 25.04425723 2.03975549 -6.16822733 0.03051852 N 23.90018788 23.95698669 23.81212427 2.89188421 -1.66931728 1.77568362 N 25.65326585 25.60455813 25.62049616 -1.06295199 -1.74155241 -1.12606854