32 Lattice="7.812575090829416 0.0 0.0 0.0 7.812575090829416 0.0 0.0 0.0 7.812575090829416" Properties=species:S:1:pos:R:3:forces:R:3 energy=-51.3386270552653 stress="-2.070291697343225 -2.8465199890677173 7.379301126885018 -2.8465199890677173 4.289023112815503 -0.10259519444021237 7.379301126885018 -0.10259519444021237 1.0759110934761962" pbc="F F F" Fe -0.03573198 -0.01232108 -0.03415701 1.24911310 1.23113379 1.17945026 P 1.96231324 1.98346910 0.00478347 -0.28649723 -2.13077394 -3.89111596 P 1.95326782 0.02193267 1.93219991 -0.02043629 -2.12759895 3.56575264 P -0.02747376 1.94964123 1.98777655 -3.68629831 -3.86448197 1.32717128 P 3.94006859 0.05339997 -0.02244766 3.45493191 -0.35336036 -0.27017819 Fe 5.87108546 1.94485587 0.03029830 -1.30756552 0.06083729 1.07327321 Fe 5.82215005 0.02364903 1.94943798 -1.08504794 1.11632680 -0.05415402 Fe 3.91057935 1.93458925 1.94640628 -0.24010561 0.20593896 -0.12020555 P -0.01927894 3.89597414 0.00359111 -2.14593589 3.56950482 -2.03603235 Fe 1.93093082 5.87990213 0.00654164 -0.03985731 -1.48042214 1.34847281 P 1.95483208 3.88732043 1.92366616 3.59689936 2.07700112 2.51180022 Fe 0.02128878 5.82192120 2.00898502 1.25188264 -1.35556514 -0.10895003 P 3.92802629 3.88353160 -0.02354814 1.86826778 1.85983565 -1.99714324 Fe 5.88109411 5.86479597 0.03819854 -1.05832970 -1.07110162 0.97343090 P 5.87252440 3.89645710 1.94328583 0.17442051 0.09909437 -1.91394703 Fe 3.96091888 5.88595508 1.96055700 -0.07458128 -1.48885839 0.02508255 Fe 0.00298151 -0.03690449 3.93492897 1.35258986 1.38814374 -0.07658386 Fe 1.89612584 1.94337609 3.88709168 0.12807395 0.05941186 0.04134550 P 1.98925668 -0.02130410 5.84005901 -1.94455670 -0.42593179 -1.49823135 Fe 0.02045726 1.96144388 5.88327153 1.27039635 0.02821498 -1.32917189 Fe 3.94766078 -0.02906372 3.92189557 -0.18981242 1.43027155 0.02178732 P 5.85795554 1.97818442 3.89477490 0.32470000 -1.81102456 0.15986773 Fe 5.85609932 0.00370324 5.83910012 -0.96607292 1.01242063 -0.96572576 P 3.91743975 1.92337594 5.84643315 1.75684077 0.21042973 0.37927484 P -0.03329832 3.84788856 3.90894289 -3.44067578 0.38602096 1.92066224 P 1.88497008 5.88237296 3.91853566 0.15527130 3.39755389 -1.43629822 P 1.93929307 3.89363690 5.88141716 -1.58948224 -1.62793025 1.72932360 Fe 0.00304451 5.82047732 5.89624300 1.16644577 -1.10278197 -1.17662714 Fe 3.86869087 3.89314580 3.92620357 0.09342110 0.19562304 0.11588308 P 5.88584674 5.85277480 3.87858514 0.14815657 0.34980260 0.17680111 Fe 5.84576170 3.86348293 5.89607687 -1.36819910 0.16276447 -1.38929879 P 3.94239778 5.87204759 5.88537844 1.45204326 -0.00049918 1.71428408