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=-37.268843937894744 stress="0.00041691032582195486 8.242449892717451e-05 -4.889999415466056e-05 8.242449892717451e-05 0.00019931177370443478 -7.470084534396929e-05 -4.889999415466056e-05 -7.470084534396929e-05 0.00017975090758968058" free_energy=-37.268843937894744 pbc="F F F" Fe 21.13451529 20.83475878 21.16063835 2.41342884 0.97686377 0.84507313 Fe 22.22592512 22.28298281 22.68365717 4.66539296 0.21952659 -1.99649479 Fe 24.20288723 21.08343331 20.79585403 -3.13706656 1.96315278 3.87524512 Fe 25.44809454 22.72094491 22.73171545 3.48789785 -4.17369425 -3.69055140 Fe 21.18190327 24.10370736 21.22220445 1.36238999 -2.14571132 0.12286347 Fe 22.42485375 25.62990665 22.28220450 2.35779938 -0.97448382 2.59616097 Fe 24.28278197 24.06210000 21.13362859 -4.11722756 -2.59827984 0.37722773 Fe 25.31156281 25.44827795 22.54852473 0.15251571 0.58141093 0.96037956 Fe 21.05473499 20.91643670 24.13661615 1.42466861 -0.21038359 -1.21595486 Fe 22.40480033 22.37719504 25.44171408 1.76892967 0.42566962 -0.66286014 Fe 24.11041876 20.76735611 23.83533445 -2.27567316 2.91527720 -1.67281471 Fe 25.09647529 22.69654467 25.38882030 1.39456846 -2.12936877 2.63235104 Fe 21.07879649 23.63663533 23.96375436 -0.81874297 1.11842187 -0.52775789 Fe 22.40583543 25.10215206 25.20178472 2.18582662 -0.11366347 -1.01626451 Fe 24.29874826 23.77290972 23.88090187 -9.44005201 5.05072595 -0.45246938 Fe 25.36136659 25.55835534 25.11886872 -1.42465584 -0.90546366 -0.17413335