108 Lattice="11.210759168390574 0.0 0.0 0.0 11.210759168390574 0.0 0.0 0.0 11.210759168390574" Properties=species:S:1:pos:R:3:forces:R:3 energy=-270.5465231694639 stress="-0.00564002065206024 0.00016700484460443725 -0.001125595745453159 0.00016700484460443725 -0.005915635233839794 -0.00010036548529449951 -0.001125595745453159 -0.00010036548529449951 -0.005903615320623974" free_energy=-270.5465231694639 pbc="F F F" Fe 0.00246386 0.01399484 0.01522587 -0.25759950 -0.23171944 -0.34322835 Fe 1.88117304 1.88532991 0.01160056 0.53181925 0.11349221 -0.82425980 Fe 1.84811707 0.00542553 1.86333830 0.79688054 -0.48490510 0.51942358 Fe 0.00072949 1.86685021 1.86000528 -0.50339379 0.51114020 0.78738549 Fe 3.79835356 0.00987549 0.00110881 -0.26772336 -0.38015900 -0.20956794 Fe 5.61075721 1.85537240 0.03631378 0.16112051 0.63773542 -0.50396863 Fe 5.63796148 0.00329672 1.90183612 -0.33350291 -0.43297267 0.43549466 Fe 3.71875982 1.88395007 1.86472136 0.52151170 0.20544463 1.07237606 Fe 7.50743003 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Fe 3.76601783 1.90339868 9.35928988 -0.41167444 0.14435188 0.23884842 Fe 7.50284824 0.00718983 7.48014734 -0.54696799 -0.45063411 -0.70288455 Fe 9.35340182 1.89710896 7.44120465 0.52349434 0.28737299 -0.46977409 Fe 9.33254465 0.00468352 9.34193853 0.26236849 -0.09682428 0.20431844 Fe 7.48825665 1.89695063 9.30917694 -0.68898970 0.16775595 0.68260431 Fe 0.00562541 3.76295515 7.45151632 -0.42462638 0.19161684 -0.40542782 Fe 1.87533140 5.62813089 7.47871192 0.71226400 -0.11422407 -0.53109636 Fe 1.85163087 3.71490849 9.36579478 0.73947548 0.31068552 0.29629092 Fe 0.03406565 5.62210598 9.34719675 -0.47193360 -0.20804943 0.37292982 Fe 3.70253434 3.76048835 7.46362959 0.38339847 -0.17279266 -0.94071922 Fe 5.63398457 5.61180414 7.48959406 -0.36456462 -0.06090329 -1.22828100 Fe 5.58400827 3.70060610 9.31339925 0.19874463 0.37810058 0.43733197 Fe 3.76024194 5.57793784 9.31871208 -0.25264003 0.22300077 0.46432842 Fe 7.44250268 3.71976767 7.49772403 -0.52444910 0.30372441 -1.15436707 Fe 9.36609102 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