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=-37.2688439379 stress="0.3109748879382779 0.061480725541429616 -0.03647467875123158 0.061480725541429616 0.14866735759139632 -0.05571962499114548 -0.03647467875123158 -0.05571962499114548 0.13407683830881234" pbc="F F F" Fe 0.13451529 -0.16524122 0.16063835 2.41342884 0.97686377 0.84507313 Fe 1.22592512 1.28298281 1.68365717 4.66539296 0.21952659 -1.99649479 Fe 3.20288723 0.08343331 -0.20414597 -3.13706656 1.96315278 3.87524512 Fe 4.44809454 1.72094491 1.73171545 3.48789785 -4.17369425 -3.69055140 Fe 0.18190327 3.10370736 0.22220445 1.36238999 -2.14571132 0.12286347 Fe 1.42485375 4.62990665 1.28220450 2.35779938 -0.97448382 2.59616097 Fe 3.28278197 3.06210000 0.13362859 -4.11722756 -2.59827984 0.37722773 Fe 4.31156281 4.44827795 1.54852473 0.15251571 0.58141093 0.96037956 Fe 0.05473499 -0.08356330 3.13661615 1.42466861 -0.21038359 -1.21595486 Fe 1.40480033 1.37719504 4.44171408 1.76892967 0.42566962 -0.66286014 Fe 3.11041876 -0.23264389 2.83533445 -2.27567316 2.91527720 -1.67281471 Fe 4.09647529 1.69654467 4.38882030 1.39456846 -2.12936877 2.63235104 Fe 0.07879649 2.63663533 2.96375436 -0.81874297 1.11842187 -0.52775789 Fe 1.40583543 4.10215206 4.20178472 2.18582662 -0.11366347 -1.01626451 Fe 3.29874826 2.77290972 2.88090187 -9.44005201 5.05072595 -0.45246938 Fe 4.36136659 4.55835534 4.11886872 -1.42465584 -0.90546366 -0.17413335