864 Lattice="21.681284017604227 0.0 0.0 0.0 21.681284017604227 0.0 0.0 0.0 21.681284017604227" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-3174.96140065665 pbc="F F F" Fe -0.02144069 0.01984718 0.01976526 26 0.38748835 0.36595301 0.40970551 Fe 1.78744052 1.76419478 0.02417958 26 -0.19254130 0.07057767 -0.24791972 Fe 1.80973037 0.03245722 1.80633673 26 -0.12182554 -0.24249031 -0.01448797 Fe -0.00598550 1.78399278 1.83274112 26 -0.14980027 0.03328229 -0.21753322 Fe 3.58185497 0.01580767 -0.00528790 26 0.09819140 0.14007886 0.20598832 Fe 5.40578748 1.80108869 -0.03347844 26 0.02536152 -0.07611593 0.05262925 Fe 5.40747491 0.00174376 1.81746870 26 0.01006052 0.08333924 -0.21415185 Fe 3.59871433 1.82639721 1.75819949 26 0.17179457 -0.16245582 0.17392363 Fe 7.22188584 0.01432844 0.00495825 26 0.00967250 0.22560987 0.24757056 Fe 9.01855880 1.84068006 0.00586262 26 0.10077980 -0.17497455 -0.05805262 Fe 9.02550563 0.01562530 1.83017539 26 0.06955211 0.00424503 -0.19603382 Fe 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