64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=94.69601849202026 stress="-0.002113138311906738 -0.00031929751513429103 -0.0003504355381742462 -0.00031929751513429103 -0.0018000635123029322 0.00030791475011483473 -0.0003504355381742462 0.00030791475011483473 -0.0012688577963013024" free_energy=94.69601849202026 pbc="F F F" Fe 35.17095038 34.82507085 34.71607199 0.42248095 0.36468608 0.51528768 Fe 36.56627246 36.30966510 36.28356451 -7.67754052 -4.14793285 3.64534936 Fe 37.96522721 37.25439459 35.30820902 -14.68938868 -53.69907804 -29.70009990 Fe 38.46963622 38.55539633 35.85320685 15.58755012 46.25328184 30.70087442 Fe 37.51094894 34.98371394 37.67184408 -0.21391524 -2.21413812 0.37171079 Fe 38.82550802 36.17010011 38.95988817 -44.54753406 28.17533503 -25.18738558 Fe 34.94795148 37.29824748 37.57998349 -0.81187894 -0.29494418 0.46959839 Fe 36.21002132 38.97669842 38.57530652 -5.92687462 -9.82304409 8.97493300 Fe 39.60112862 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34.82485841 40.09471289 40.01098961 -0.10858035 0.79003047 0.38388407 Fe 36.74566835 40.89269776 41.37884593 -54.39345769 45.89070825 -38.84565482 Fe 37.63629877 42.17536678 39.63986266 -43.19765798 35.84740223 25.53638449 Fe 38.15935832 43.36439687 41.69259477 -0.08646128 -0.56436522 0.11956088 Fe 37.71099147 40.07186071 42.07750744 49.51637083 -50.09980245 33.09354418 Fe 38.87062642 40.95210908 43.43428908 5.21778964 3.24472218 5.51406471 Fe 34.74215944 42.42694649 42.77302912 -0.82241930 -1.80603537 -0.95465922 Fe 36.16838450 43.92294058 43.25547105 1.44211565 1.17864273 0.27001220 Fe 39.94242952 39.73512663 40.17100236 5.48919074 8.02331122 -1.52628859 Fe 41.56578688 41.01412584 41.46975669 -22.78731117 41.27896216 -82.64027764 Fe 42.33058303 42.13115564 39.45401622 -12.52148212 -10.67281064 17.76080006 Fe 43.58417313 44.03637947 40.91981085 -0.78213304 -0.82002115 -0.19366028 Fe 42.00053342 40.28144579 42.58017368 22.41687125 -56.76693997 71.65417833 Fe 43.31780687 41.33206887 43.54392794 6.97313577 6.02172663 4.96568989 Fe 40.52211687 42.38822512 42.26388251 -12.32563337 2.17376726 -0.49623278 Fe 41.48441525 43.77178059 43.23550225 5.62702820 7.10559726 4.95187410