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=-38.26392731371088 stress="-0.0002005849885175135 -1.389877195746133e-07 -0.0001941845318835463 -1.389877195746133e-07 -0.00016488097163493658 -4.538829220289202e-05 -0.0001941845318835463 -4.538829220289202e-05 -0.0003552207424733546" pbc="F F F" Fe 20.96375436 20.90583543 20.97373608 1.14262294 1.04380986 0.84564018 Fe 22.20178472 22.79874826 22.27290972 9.90816794 -8.39306113 12.35709139 Fe 23.64806256 21.05546895 20.88932032 -1.57741559 0.34321639 0.47485394 Fe 25.12846834 22.41494024 22.14004347 -0.34070335 0.80433651 1.49607010 Fe 21.20070203 23.70342959 20.90085166 -7.93966353 7.62318339 -11.52485431 Fe 22.27489974 25.78187239 22.42662750 0.35761209 -1.87292874 0.47970189 Fe 23.94965531 24.32756682 21.17184559 -5.24630237 -5.57308299 -5.86634555 Fe 24.94518915 25.52185746 22.52385453 3.86625029 5.00197397 6.69851555 Fe 21.32522606 20.85498893 24.00405700 -1.09050127 0.69879019 -0.56607612 Fe 22.94520981 22.38237022 25.32818863 -4.15222993 -0.16939151 4.62253015 Fe 23.61630215 21.06738782 23.66226201 2.42343462 -1.64693622 -3.72556967 Fe 25.30966274 22.33348310 25.12984786 0.76523220 0.37609006 -0.48059929 Fe 20.93858073 23.93312530 23.98314104 1.56195685 0.19721548 0.34343653 Fe 22.69091019 25.30240995 25.62863080 -2.33689924 1.62443547 1.93341437 Fe 23.85822230 24.06080207 24.23657050 -1.29369110 -2.87168683 -10.69829423 Fe 25.16894154 25.15595831 25.48128709 3.95212944 2.81403609 3.61048508