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=98.2279869591155 stress="-0.0015431695265758266 -0.00011601997230451514 -0.00027023089830516375 -0.00011601997230451514 -0.0018631754399607776 -0.00043842748179783765 -0.00027023089830516375 -0.00043842748179783765 -0.0017725098059284583" free_energy=98.2279869591155 pbc="F F F" Ni 35.66422407 34.82399768 35.07047651 1.78128240 -45.18859649 -26.16667074 Fe 35.61991416 36.16209719 35.84565172 15.59432462 14.02234443 6.83149591 Ni 37.44511951 37.24988555 35.57702930 -4.23720686 -2.81303704 -1.45100026 Ni 38.96052942 38.33640186 35.96436298 3.61531068 1.89197835 3.67141096 Fe 38.03944915 35.42359264 37.73272904 -9.41153440 -5.02754110 -11.99138043 Ni 39.09857074 35.99087712 39.10119258 -40.08285323 26.78638286 -31.50280233 Cr 34.90645550 37.33774006 36.62109468 -19.14228686 29.40788115 19.88053042 Cr 36.06609952 38.72366394 38.02604213 -15.97001865 -17.70568110 10.63701381 Ni 40.30537406 34.63714658 35.47374065 -12.81247286 -42.86162919 -5.72015194 Ni 40.73381082 36.12402378 35.68818406 12.22542330 42.77317743 6.49937102 Cr 42.55303511 37.53303930 35.03483140 -1.00158496 -0.39371816 -1.22277289 Fe 44.00881230 38.43950626 36.34164949 0.87283453 0.91521173 1.90954188 Fe 42.82545524 35.42461247 37.86053549 -8.70808235 -0.71781406 -8.78775370 Cr 44.06688376 35.62057321 39.19590379 7.45207453 2.09296957 8.87528204 Fe 40.05009929 36.99515840 37.81642817 5.23585443 4.96194568 -7.53185404 Cr 41.09326806 38.84997162 38.41216870 -33.87004193 -24.01763387 10.55150696 Fe 35.04395061 39.20643034 35.02810809 0.86089112 0.21747128 0.57931741 Fe 35.83698312 41.52111783 36.64584739 61.25575400 -113.31276091 -107.64948629 Fe 37.40637040 42.21987830 35.08782439 -4.53927599 -6.34305158 -4.30418378 Cr 38.50351262 43.46118567 36.00447954 5.25513319 5.57189619 4.86684160 Cr 37.10119576 39.87414928 37.43714789 18.17488119 17.23779456 -9.25582416 Fe 38.41074052 41.25229338 38.99751742 37.36392553 -52.53881390 -36.70141755 Cr 35.37301062 42.36913215 37.44897907 -64.11643890 111.48926972 105.78218731 Cr 36.74769709 43.47272109 38.54792160 -3.06303512 9.01361205 -5.55926068 Ni 39.95596926 39.85820217 35.11527449 0.59172058 -0.62540504 -6.68023178 Fe 40.37208909 41.06283857 36.66268808 1.81460719 -3.86514970 -1.99240341 Cr 42.24631971 43.01700051 35.23442428 -1.55067672 -0.48660075 -0.38210830 Cr 43.82981730 42.92043399 36.74435728 0.72355260 -0.25274037 1.30768536 Ni 42.33477427 39.76830143 38.03218066 32.17353525 23.98253962 -10.90066784 Ni 44.02349468 40.93090812 38.49435514 1.37127301 1.12384429 0.46810247 Cr 40.27528748 42.45001592 37.89292777 -67.00684824 -58.93098394 -42.70284216 Fe 41.12312343 43.30412809 38.53513181 65.56670759 67.17266825 49.57740081 Fe 34.99872381 35.14545147 40.69993073 -3.68815708 -2.95748619 -0.81334086 Ni 36.57172885 36.43061798 40.92921781 -29.43397145 -22.26388661 44.97863200 Cr 37.41554559 37.02036106 39.83445896 33.46089909 26.47273990 -44.84961725 Ni 38.92810688 39.13162231 40.95381544 -18.18648592 -20.38373591 11.80291526 Ni 37.48518526 34.78590592 42.31741703 0.64004334 0.15763328 0.05143397 Cr 39.40306371 36.49527917 44.21986652 -4.36804357 -5.69943613 9.15016500 Cr 35.26274813 37.74327778 41.88019991 -1.41976875 1.82608948 0.60554549 Fe 36.50970875 38.94628518 43.69437349 0.42173209 0.07468258 0.23683564 Cr 40.00130041 35.41518154 40.09975546 44.94600360 -30.02299690 49.40753369 Fe 40.81062908 37.02232876 41.40968795 25.14573136 -9.45574498 -40.07736645 Ni 42.64490932 38.09320420 40.23046636 -1.01403339 -1.14492523 -0.95138483 Cr 44.06406713 39.08349241 41.46864815 1.80744060 0.55361470 1.03832702 Ni 42.16649963 34.99345479 42.47707920 -0.22317640 0.74102789 -0.35243334 Ni 43.71835098 36.75176690 43.67880224 -0.75014785 0.28634481 -0.59486826 Fe 40.01808138 37.37294386 42.73335776 -21.57213774 16.51310312 29.56079100 Ni 41.33961379 38.36742735 44.22425969 0.76161484 0.78820715 0.39456018 Fe 34.95840724 40.73953054 40.52414665 -6.92155592 -1.80285928 -3.19647956 Fe 36.73507234 41.12588866 41.34852692 -73.79972913 54.95341217 -74.90363619 Ni 37.66119723 42.29309079 39.70613034 -32.04419800 46.11205818 42.22547096 Ni 39.61736372 43.35881186 40.81915013 -1.40629546 1.44222035 -3.98297836 Cr 37.58540540 40.55230801 42.18985130 80.35231673 -53.74819941 78.73316778 Ni 38.70442791 41.12165533 44.19552472 0.56490208 0.20026156 0.03721516 Fe 35.06379771 42.84382655 43.21892475 -21.59861301 -6.04239903 -9.64452138 Cr 36.57843329 43.23137907 43.85714266 22.55485556 4.91045599 8.59551604 Cr 39.99207817 40.22609824 40.25053763 19.44547531 19.01303457 -11.44220354 Fe 41.70515594 41.23417308 41.56379172 -17.67705560 43.44048741 -37.39342181 Ni 42.59946924 42.82951364 40.12360217 -66.11171939 -55.67345154 -76.71106282 Fe 43.38443635 43.47692919 41.02623865 66.67456055 54.87306777 77.16919332 Fe 42.22110292 40.09144272 42.41807604 18.84098897 -47.47696392 34.45931784 Ni 43.51544048 40.85219551 44.03342935 0.44110817 0.25161145 0.31868381 Cr 40.44907342 42.48989553 42.46490066 -3.76712658 -3.10876148 -3.52351409 Cr 40.75852479 43.24018944 44.13644832 1.50781429 3.59096426 8.73664889