108 Lattice="11.21076314414439 0.0 0.0 0.0 11.21076314414439 0.0 0.0 0.0 11.21076314414439" Properties=species:S:1:pos:R:3:forces:R:3 energy=-270.62185999668134 stress="-0.006366766687797637 0.0003166300651660344 -0.0004884615957162987 0.0003166300651660344 -0.006119534488726684 0.00036492697800755803 -0.0004884615957162987 0.00036492697800755803 -0.005702575604597125" free_energy=-270.62185999668134 pbc="F F F" Fe 0.01520054 0.00543133 0.00377022 -0.28064694 -0.30697261 -0.19366536 Fe 1.84153367 1.86153043 0.02732905 0.80908093 0.59495236 -0.78700999 Fe 1.87774248 0.03106300 1.88624694 0.61966292 -0.87777362 0.36176663 Fe 0.02251225 1.83483480 1.90114699 -0.95684649 0.81834390 0.13195854 Fe 3.78310821 0.03120340 0.02596310 -0.20038548 -0.39002622 -0.52002234 Fe 5.63652366 1.89925944 0.01447524 -0.33320077 0.66468850 -0.48907322 Fe 5.61907469 0.00162054 1.85459481 -0.14336196 -0.64672373 0.72233967 Fe 3.72969527 1.85656420 1.87287954 0.39269365 1.08829000 0.72571002 Fe 7.50917023 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