16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-33.72960157735349 stress="-0.0006676638348318961 -1.563172407019292e-05 0.00033095490914422724 -1.563172407019292e-05 -0.0004300992211863555 0.00017678004486647807 0.00033095490914422724 0.00017678004486647807 -0.0006482410788825692" pbc="F F F" Fe 20.91870436 21.04860922 21.20118821 0.61441585 0.75406666 0.34541320 Fe 22.70960170 22.31143450 22.61053479 16.31325809 17.65138576 -15.71205136 Fe 23.72210921 20.96642696 21.40020085 0.20911802 -2.73944751 -2.49810391 Fe 25.00405294 22.30383619 22.51200168 2.64464847 2.44931606 -0.71616808 Fe 21.07968128 24.04238151 21.15068845 -0.18805705 -1.06386660 0.19264219 Fe 22.56504129 25.20865944 22.36550211 -17.77170834 17.13558359 -0.13487210 Fe 23.78802619 24.22277084 21.18584377 10.81804288 -8.69652056 -10.10996460 Fe 25.68362810 25.69581920 22.86779500 -1.30423423 -0.87503756 0.31943620 Fe 21.50130950 21.35816560 23.67585976 -19.45919516 -15.45744070 16.91169181 Fe 22.92215594 22.41692504 25.43520681 -0.73487826 0.82019527 0.32467783 Fe 24.32126513 21.01984659 24.05215016 -1.29242706 -2.49005178 0.42131795 Fe 25.28492278 22.45860112 25.31894076 0.97500318 1.51080133 0.58071010 Fe 21.24652118 24.17895518 24.20701940 -0.71650963 -0.82137770 -0.49593510 Fe 22.75116974 25.43733615 25.52624194 -0.06363080 0.00994628 0.15804139 Fe 23.57960232 24.21651170 23.73339608 9.87191496 -7.91758947 11.10613210 Fe 25.14131469 25.06306233 25.59973206 0.08423906 -0.26996308 -0.69296762