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=459.39146410340976 stress="-0.0038654740700837663 4.6995350673916784e-05 -0.0010113156412948658 4.6995350673916784e-05 -0.0034578176455066106 0.0001220784894845329 -0.0010113156412948658 0.0001220784894845329 -0.0024071442911053837" pbc="F F F" Ni 35.01234588 35.34510794 35.31136907 -16.00153687 -2.69768950 -22.76741713 Cr 36.03316947 35.54406992 36.73913490 -91.73565102 50.56560137 -11.88171103 Cr 38.02218752 37.27573466 35.52298888 3.80944718 -54.25460423 -13.82195256 Ni 37.91751923 38.75918987 35.92229968 1.00525852 40.74728546 6.41159450 Cr 37.60752815 34.86999827 37.25452261 108.98512047 -45.78677654 35.59521198 Fe 38.57900654 36.23198745 39.20011556 -57.37691641 48.57528555 -53.69280549 Cr 35.02334659 37.97459326 37.72051569 -74.47157374 -41.82532504 -106.80789933 Cr 35.97666350 38.50289939 39.06725880 53.71877154 52.39909277 70.31361853 Ni 40.46023381 35.10712499 34.89053663 -0.08993135 0.69722674 0.42483362 Cr 41.19298748 36.56595713 36.69556872 -9.30873711 1.30215428 -5.78715019 Fe 42.68744469 37.03622203 35.03547340 3.32400390 1.02244893 -3.98598737 Cr 43.47509756 38.91783916 37.17030168 14.10104792 -17.41118292 -7.40724565 Fe 42.63742611 35.57667005 37.92157289 -19.74025978 -8.96465651 -18.40109099 Ni 43.84867023 35.76037067 39.04802678 27.00304556 4.47485582 25.32589515 Ni 40.12077654 37.88408640 37.99716111 -96.20022247 -56.26820321 -28.11658924 Fe 41.21557392 38.59442878 38.37864027 85.99514019 51.96357593 33.34223829 Cr 34.81155335 39.59160726 34.90666930 0.99252139 0.25684941 1.28498227 Cr 36.25645072 41.47853071 36.43111706 -77.76040712 111.03985588 -76.19730513 Ni 37.37815139 42.51662809 34.64797247 0.69063788 -0.10266209 0.51746667 Cr 39.65027425 43.93315642 36.58399501 -14.66985719 82.41081857 -25.16717477 Cr 37.24087712 40.35119258 37.00602832 95.91987612 -103.59160487 68.57351583 Cr 39.06405810 40.47303962 38.85905276 -33.06556543 -3.07477797 -33.30521022 Fe 34.93678049 41.75376465 37.38879225 -23.77952992 4.49531898 17.97133452 Fe 36.33043960 43.78878591 37.96557151 0.73263040 -1.32577284 -0.45893762 Ni 39.93413269 39.63707443 34.89813158 0.59296089 0.30597914 1.04594703 Ni 41.18905271 41.23970533 36.61636343 -16.02863138 -16.85699147 28.72535677 Fe 41.77180030 41.74709159 35.24168659 17.92160539 15.86057523 -41.55031932 Fe 43.48831023 43.46764156 37.04854777 -0.93982308 0.27582422 -0.55885076 Fe 42.35991604 40.14120336 37.73992088 -14.28844465 -8.43234638 8.43982973 Ni 43.41004333 41.51829065 38.21661631 17.20945534 20.99487317 7.78133604 Fe 39.70653321 42.52895662 36.84556178 -17.79121812 -72.20363536 13.10835308 Fe 41.15299327 43.57820270 37.95037987 16.65634114 0.32869348 13.96307518 Cr 35.27111783 35.39584739 40.23376922 -124.89660460 -154.61629532 -90.70141150 Cr 36.03236424 36.33782439 40.78216122 12.47625038 68.11327777 155.70466349 Cr 37.21118567 37.25447954 40.09794727 134.64022078 62.58725318 -27.04726083 Cr 39.12575770 38.69296658 41.07667935 -0.36599686 -0.93890258 0.68078403 Cr 37.04467690 35.22989397 42.74728032 -1.33763264 0.07678365 -1.41795192 Fe 38.79415116 36.09142795 44.12080839 -9.56296808 -6.71961677 16.59884945 Ni 34.70638130 38.00273655 42.53449813 -0.68634550 -1.04816708 -1.78716742 Fe 36.55453737 38.92564496 43.32165220 -41.37303013 -55.32348974 25.66895101 Fe 39.54357601 35.44069347 39.80680002 71.49801903 -57.39911541 44.62475739 Ni 41.64396263 36.53655688 41.59496446 -23.56761528 26.88184027 6.72300287 Cr 42.02940342 37.24454018 40.13947470 8.52298628 14.57371175 -29.81359945 Fe 43.53705348 38.88629124 42.13682555 73.73501947 -76.99738412 -32.89016975 Fe 42.18655507 35.23888898 42.27825825 14.77291324 -45.72005545 19.57493192 Fe 43.25199773 36.84283316 43.29572461 2.20534494 3.44089533 3.01113105 Fe 39.77547950 36.78838030 42.69026695 7.79903844 8.23387035 -14.54117771 Ni 41.22440150 39.35144332 43.76588884 -17.79318958 -6.19583415 15.09306321 Ni 35.18061798 40.03295618 39.46921039 -28.95351890 -7.46178216 -26.46593303 Cr 35.70999058 41.08445896 40.51888014 17.31480939 32.25125362 32.50937985 Ni 38.20669885 42.12783950 39.78491959 -6.06342413 7.56084001 1.46617077 Ni 38.70869521 43.14589927 41.60019261 -21.06855888 14.31006329 -11.41050221 Ni 37.40353578 40.00523009 42.82038128 33.59773259 52.84160228 -32.47801994 Fe 39.14310811 40.53321755 43.83748235 9.86130701 3.01563260 5.49809115 Ni 35.41499433 42.84170412 42.33653425 -35.02957195 -28.22200052 -17.60985712 Fe 36.55986831 43.76065722 42.91085601 35.83461195 27.66400520 17.14369885 Ni 40.33941668 40.22643250 39.76672435 39.06944782 -5.34325256 27.79731287 Ni 41.74832312 42.14114319 41.42751622 5.90149833 -7.48435926 2.58858698 Ni 42.52485138 42.96724837 39.84385420 -9.87032251 -4.10350860 -31.07891954 Cr 43.46643955 43.59690453 41.31594255 14.48468868 9.52872137 22.43958902 Cr 42.64273042 39.82587077 42.53130675 -56.69668351 83.69254562 16.18862386 Ni 43.63523921 41.33916211 44.18636509 -0.58285457 0.49182728 -0.62064287 Fe 40.02807106 42.37592115 42.53909181 10.50922332 -11.60500544 22.55928905 Cr 41.90045264 43.84354748 43.92719937 0.21564728 -1.00544039 -0.92520594