16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.604899327234705 stress="8.562159835197365 1.8763540937312673 -1.338375242734433 1.8763540937312673 9.471428433592965 1.0337891444742588 -1.338375242734433 1.0337891444742588 9.192326354227749" pbc="F F F" Fe 0.28278197 -0.08277149 0.18643573 0.03926870 -0.17259639 -0.10530302 Fe 1.32702941 1.48368313 1.39507964 2.01268073 0.57933761 1.40195331 Fe 3.05473499 -0.08438932 0.13661615 -0.94481245 0.11205140 0.49514492 Fe 4.40480033 1.37719504 1.29869006 -0.14079283 0.46576043 1.88095482 Fe 0.11041876 2.63976846 -0.16466555 0.46212076 0.13506733 0.57611793 Fe 1.24148635 4.58611608 1.53369179 1.12265818 -1.37659654 -0.28656952 Fe 3.02598936 2.54560494 -0.03624564 -1.17470862 0.90989724 0.30945075 Fe 4.40583543 4.25559716 1.20178472 -1.04015844 -0.77897704 0.41966575 Fe 0.29874826 -0.22709028 2.88090187 0.40520094 0.67433197 -0.38822098 Fe 1.36136659 1.55835534 4.24645637 1.63477494 -1.05421179 0.87931683 Fe 2.98193431 -0.07998135 3.20070203 -0.67307882 0.59809377 -1.34491062 Fe 4.20342959 1.40085166 4.49793547 -0.36548780 1.14118981 -0.56810955 Fe 0.28187239 2.92050352 2.98453339 -1.50913996 0.40343095 -1.77865209 Fe 1.60170120 4.37793365 4.21904386 -0.75015215 1.39623084 1.30718657 Fe 3.00082602 3.24624097 3.14302402 1.65059603 -2.13755044 -2.30924079 Fe 4.35498893 4.61042859 4.70947124 -0.72896921 -0.89545916 -0.48878432