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=-40.604899327234705 stress="0.00011556743109811863 2.532601897380547e-05 -1.8064669619026496e-05 2.532601897380547e-05 0.00012784024988652664 1.3953530186727857e-05 -1.8064669619026496e-05 1.3953530186727857e-05 0.00012407308004302656" pbc="F F F" Fe 21.28278197 20.91722851 21.18643573 0.03926870 -0.17259639 -0.10530302 Fe 22.32702941 22.48368313 22.39507964 2.01268073 0.57933761 1.40195331 Fe 24.05473499 20.91561068 21.13661615 -0.94481245 0.11205140 0.49514492 Fe 25.40480033 22.37719504 22.29869006 -0.14079283 0.46576043 1.88095482 Fe 21.11041876 23.63976846 20.83533445 0.46212076 0.13506733 0.57611793 Fe 22.24148635 25.58611608 22.53369179 1.12265818 -1.37659654 -0.28656952 Fe 24.02598936 23.54560494 20.96375436 -1.17470862 0.90989724 0.30945075 Fe 25.40583543 25.25559716 22.20178472 -1.04015844 -0.77897704 0.41966575 Fe 21.29874826 20.77290972 23.88090187 0.40520094 0.67433197 -0.38822098 Fe 22.36136659 22.55835534 25.24645637 1.63477494 -1.05421179 0.87931683 Fe 23.98193431 20.92001865 24.20070203 -0.67307882 0.59809377 -1.34491062 Fe 25.20342959 22.40085166 25.49793547 -0.36548780 1.14118981 -0.56810955 Fe 21.28187239 23.92050352 23.98453339 -1.50913996 0.40343095 -1.77865209 Fe 22.60170120 25.37793365 25.21904386 -0.75015215 1.39623084 1.30718657 Fe 24.00082602 24.24624097 24.14302402 1.65059603 -2.13755044 -2.30924079 Fe 25.35498893 25.61042859 25.70947124 -0.72896921 -0.89545916 -0.48878432