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=-37.447917360724254 stress="0.00019322052123992194 1.1684690835114998e-05 6.24297418036805e-05 1.1684690835114998e-05 0.0003009972903515181 7.542884524001053e-05 6.24297418036805e-05 7.542884524001053e-05 9.423065949945557e-05" pbc="F F F" Fe 20.70220318 20.71755886 20.87362813 0.82105523 1.68962394 -0.07143362 Fe 22.39917148 22.76235339 22.34838096 0.59284357 0.13162928 1.96506888 C 24.21005355 21.21211731 20.94968690 0.16951069 2.05892751 -0.28423903 Fe 25.79594673 22.65710459 22.19618279 -1.52835916 -1.36172415 0.35207101 C 20.85687199 23.97664413 21.24122900 -0.47755058 -0.59246334 -1.09105398 Fe 22.52201293 25.31634348 22.42534241 0.94783910 -1.69389928 0.45702397 Fe 23.98566276 23.81443107 21.04376171 0.97573291 -0.10841822 2.49005490 C 25.22051529 25.66237214 22.30722932 -0.97268252 0.28029890 -1.91853262 C 20.76172667 21.05332204 23.88436473 0.22894953 -0.36350060 1.04140467 C 22.88696901 22.49816022 25.51283276 1.42009873 -1.38668424 -1.20696360 Fe 24.10466887 20.82858036 23.97947407 -0.58472369 2.95735617 1.25365665 Fe 25.58942344 22.45706424 25.77559981 -1.86309926 1.45598436 -1.91822550 C 20.71321713 24.21736445 23.78604778 1.22759291 -0.35949654 -0.99063880 C 22.70384132 25.29224623 25.23214964 -1.18554678 0.85547930 1.24992697 C 24.00041025 24.25551247 23.58494224 -0.38849902 -1.58102855 -1.72951211 Fe 25.61224912 25.56482696 25.34620060 0.61683835 -1.98208453 0.40139220