32 Lattice="6.855641031334831 0.0 0.0 0.0 6.855641031334831 0.0 0.0 0.0 6.855641031334831" Properties=species:S:1:pos:R:3:forces:R:3 energy=-102.32930301441968 stress="-0.014357166116026818 -0.0015298114162052468 -0.004520474044849701 -0.0015298114162052468 -0.02018514440424708 -0.011603003836104046 -0.004520474044849701 -0.011603003836104046 -0.01717735819217102" free_energy=-102.32930301441968 pbc="F F F" Ni 0.02720264 0.01253873 0.02698439 0.25890529 0.23738254 0.27533027 Ni 1.68508615 1.74662179 0.02239928 0.79439723 -0.51235370 -0.83435932 Ni 1.69112215 0.02189634 1.74350755 0.61361680 -0.98509231 -0.45320757 Ni 0.02258728 1.70584081 1.71947433 -0.99757227 0.22755977 0.19458728 Fe 3.42054239 0.02125115 0.01436539 -0.79324943 -0.37069783 -0.32363301 Fe 5.11129400 1.70575122 0.02191127 0.74119446 0.19712679 -0.69803808 Fe 5.16326275 0.01970324 1.68850452 0.26224472 -0.60203028 0.50912404 Fe 3.44915500 1.70893275 1.70314413 -0.85335288 -0.12652044 0.31246866 Fe 0.00906828 3.42956760 0.02941306 -0.21007019 0.37272169 -0.26524865 Ni 1.76180543 5.16045461 0.00477284 -0.22982106 -0.67518387 0.40447351 Fe 1.73863075 3.40477462 1.72614534 0.09630446 0.70922093 -0.36555246 Ni 0.00861235 5.11138540 1.72402049 0.34373328 0.11845606 -0.01308243 Ni 3.46016764 3.43118963 0.00407210 -0.47531410 0.18691958 -0.32494145 Ni 5.11082066 5.15899067 0.00812817 -0.42711378 -0.49817141 0.64321942 Fe 5.16485480 3.40632378 1.70951884 0.37822963 0.89962368 -0.17082052 Ni 3.40219334 5.16412541 1.73276496 0.57015951 0.07185814 -0.44563558 Ni 0.02227023 0.01865510 3.45199250 -0.40009684 -0.68008624 -0.42190973 Fe 1.70767187 1.66094755 3.43463792 0.83761292 0.69756406 0.28085355 Ni 1.71222331 0.01786308 5.16056247 0.54582320 -0.25591211 -0.02496801 Fe 0.02180991 1.68288830 5.13005342 -0.67860668 0.33698679 0.65174260 Ni 3.45241705 0.00942560 3.45720294 -0.16013127 -0.52647391 -0.36767866 Fe 5.15401907 1.69800520 3.39911297 0.53204538 -0.11653129 0.77292797 Ni 5.14485818 0.00041318 5.13628711 -0.36272117 0.55348264 -0.42663586 Ni 3.44215336 1.72253045 5.16909449 -0.11173565 0.30500707 -0.01852318 Fe 0.02327572 3.42912316 3.40680336 -0.95654790 0.11516161 0.18160153 Fe 1.73284033 5.17355570 3.39708081 -0.73624643 0.94823407 0.57916029 Fe 1.67819844 3.41307135 5.11088562 0.26199919 0.17800801 0.99823662 Ni 0.00301280 5.14607428 5.13032005 0.74551335 -0.55576060 -0.84711555 Fe 3.39663091 3.43741059 3.44003342 0.18101009 -0.42051168 -0.15025110 Fe 5.10082040 5.17043636 3.42396879 0.08746764 0.32196520 0.03060365 Fe 5.15179490 3.44131961 5.12910518 -0.00853582 -0.05177952 0.25433096 Ni 3.37687972 5.11695341 5.13381129 0.15085833 -0.10017345 0.06294082