32 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=-42.03342703841835 stress="-1.742597303242432 0.021535494259868122 0.4002369349765367 0.021535494259868122 -1.7824475893726968 -0.46871181765639347 0.4002369349765367 -0.46871181765639347 -2.052541534640728" free_energy=-42.03342703841835 pbc="F F F" C 0.28095696 0.26008946 0.28460712 -33.36291715 -29.43892272 8.41502129 Fe 1.25346517 1.26772449 0.11893942 42.45981534 34.45561861 -40.25013922 Fe 1.22956938 0.03926819 1.73010044 54.63337765 -35.13557012 -55.62091915 Fe 0.09566688 1.62528982 1.53011122 -34.15007284 9.14563422 4.78088831 Fe 3.32237804 0.21182891 0.07255377 -12.28577022 -22.71923983 -52.99927985 C 4.48666757 1.72161728 0.33176747 3.29720197 -25.67121034 -20.21728068 C 4.26328888 0.16418492 1.19005825 24.12868471 -4.98825687 27.97253560 Fe 2.89468506 1.34681875 1.36894099 -5.65898420 22.64320442 33.97353986 C 0.22905938 3.17348228 0.28244665 -19.06424986 -49.30101246 -22.50359141 C 1.32186747 4.35277982 0.21071224 42.69703772 23.11992004 -23.12710781 Fe 1.29640878 3.21456242 1.77913633 9.59882135 -32.31060643 -19.66103602 C 0.18492541 4.33178173 1.35105157 -29.56835304 33.19399906 41.95867163 Fe 2.89635968 3.03208747 0.12263099 -28.00416609 5.86441355 -27.22409579 C 4.48655521 4.67681086 0.40137430 -1.40757095 -2.28246293 2.32537358 Fe 4.34000708 2.89901191 1.16975278 27.97603958 34.24630712 34.46332069 Fe 2.70122014 4.73212867 1.53443619 24.88879157 10.17224668 -23.84999190 Fe 0.17871475 0.19104769 2.96850990 -63.74958955 -6.48597807 56.40143835 C 1.45283623 1.28353165 2.75282959 11.74163558 12.07929714 -5.68802333 C 1.48093891 0.50486794 4.21893112 23.50945989 -14.26455159 19.87435206 C 0.15599506 1.38398735 4.26416454 -13.97658438 10.77016825 6.87943969 Fe 3.32385046 0.03806039 3.07797747 5.94592012 -28.57452566 -15.97892242 Fe 4.76599513 1.76270494 2.90334026 6.00349697 -1.24200714 2.96604402 C 4.43013169 0.29210480 4.66972808 -0.41403629 -0.16254512 -4.03497633 Fe 3.07166715 1.42588762 4.21223271 -8.43411013 27.21054710 22.64619659 C 0.17379638 2.62558166 2.95742157 -8.07756271 5.67433788 2.83309588 Fe 1.56988698 4.53320948 2.94057204 -25.46607755 37.53529652 40.87808305 Fe 1.52169289 3.19502847 4.53467588 16.71366028 -19.32038178 3.62846339 C 0.44800857 4.25286362 4.65399672 -14.77670998 16.10370546 0.14103263 C 2.86054561 3.17273490 3.14618898 1.99989461 -8.97478990 -4.39032270 Fe 4.61143391 4.65200191 3.30990996 -0.74172072 -1.70375164 -0.07064195 C 4.41272548 2.84112500 4.52295010 -0.54447030 -0.87498736 -1.60830471 C 2.84843872 4.72015150 3.99543515 4.08910863 1.23610390 7.08713665