864 Lattice="23.73065757751465 0.0 0.0 0.0 23.73065757751465 0.0 0.0 0.0 23.73065757751465" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1632.1487266173626 stress="-0.005866959701280734 0.0010942916766481553 -0.0014646228135148413 0.0010942916766481553 -0.001980972410316945 0.00023291015995489454 -0.0014646228135148413 0.00023291015995489454 -0.004914561368295199" pbc="F F F" Fe 0.00160701 0.01117606 0.00807549 1.20407681 1.28417095 1.23949358 P 1.99255421 1.96355866 0.01178002 1.87627163 -3.09370134 -3.39610509 P 1.95352859 0.02243908 2.00186043 0.07082322 -3.72728198 -1.67651444 P 0.01451641 1.97139026 1.96725963 -5.23241395 -1.57720183 1.97893655 Fe 3.91803986 0.03102079 0.01764552 -0.03954196 1.38991274 1.42815984 Fe 5.92390356 1.94576307 0.02322006 -0.06332040 0.19327357 1.47055982 P 5.94008784 0.00152507 1.96068065 -1.85143205 -1.82691217 -4.97537769 Fe 3.93115083 1.97150115 1.97069522 0.05132796 0.19433364 0.08189464 Fe 7.88524724 0.03330611 0.00396873 0.04970061 1.27443122 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