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=-39.51083220884202 stress="21.877639848025574 -0.6716720768326865 0.06328605190830405 -0.6716720768326865 19.43878536299162 0.9307838071925278 0.06328605190830405 0.9307838071925278 18.115131266118542" pbc="F F F" Fe -0.11798803 -0.06699407 -0.27997518 0.97536756 1.21190002 1.07105205 Fe 1.40664645 1.63642086 1.46512192 -0.62464372 -0.91413208 -0.63942653 Fe 3.22586561 0.29391194 -0.27385471 -0.68980512 0.80172477 0.89579599 Fe 4.52103145 1.27761356 1.68220204 -0.71803773 0.68761232 -0.23052718 Fe -0.10637159 3.23573857 0.02724172 0.42689459 -1.08585875 0.67398728 Fe 1.27538150 4.50273987 1.34887301 1.06128272 -0.83986724 0.76179470 Fe 3.22083292 2.97528771 -0.01264569 -0.59218564 -0.42467556 0.88769886 Fe 4.42299150 4.40698366 1.68107110 -0.84949169 -0.81248352 0.35441127 Fe -0.17174679 0.13102478 3.09995250 1.43160980 1.20936155 -0.42747160 Fe 1.71581698 1.51193751 4.75226748 0.06799369 0.66536007 -1.43318392 Fe 2.96431997 0.04396501 3.14564079 -0.74511522 0.78514846 -0.19919161 Fe 4.70379337 1.73854596 4.26922180 -1.21711060 0.45761973 -0.55554953 Fe -0.21770305 3.02031036 3.18745344 1.74169027 -0.59074671 -0.66344095 Fe 1.52015752 4.37970777 4.77711528 0.60789489 -1.13343219 -1.11888222 Fe 2.87871118 2.75213077 2.73125112 -0.11854310 1.06228267 1.26421463 Fe 4.21824351 4.63616082 4.26429260 -0.75780070 -1.07981355 -0.64128122