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=577.1332082453247 stress="-0.0056624429317677916 -0.0005381521686945767 0.0015898516554633665 -0.0005381521686945767 -0.004531134824096858 -0.0047968553769631925 0.0015898516554633665 -0.0047968553769631925 -0.010687434754384982" pbc="F F F" Mn 35.38887320 35.25902753 34.94218474 -2.29931135 -3.37989830 -8.56362854 Mn 35.80168103 35.71407722 36.21006209 -4.69169040 5.28991154 3.75176857 Pd 36.77448368 37.53641195 35.20724261 -1.17061397 0.54154401 -0.73366407 Pd 38.94491671 38.74023527 35.50764443 -7.70071081 -10.52532071 -0.50420578 Pd 37.15136356 35.08284462 37.33469891 6.23282555 -3.80345010 3.91951304 Mn 38.29501071 35.99535596 39.19231648 -0.17716450 -1.62174795 -6.94641448 Pd 35.26401656 38.05775018 37.56898985 -10.19956835 -0.94448463 -4.04238138 Al 37.05675249 38.42359956 38.15038440 7.07839929 -9.00973205 8.09698970 Al 40.57693457 35.22896274 35.14280539 -26.72774504 -18.74168522 -12.71573885 Pd 41.87856227 36.14070649 35.80925382 14.68258437 24.89137330 9.54337750 Al 43.33271004 36.83741101 34.73813528 7.80559382 3.73719631 -5.57010166 Al 43.99485409 38.82965662 36.30248795 -0.62719460 0.59650535 0.30563013 Mn 42.32990739 35.03812393 37.03252937 3.48875884 -9.15699638 9.81047210 Al 44.07639872 36.92404811 38.95235038 0.19889732 -0.47424233 -1.33698984 Pd 40.07409295 37.88947281 37.45250803 0.60299659 -0.42903807 2.86038649 Al 41.49088281 37.99758795 39.40340684 -24.75369390 7.86078122 -25.35736299 Mn 34.98109064 39.78299156 35.37621727 2.32979911 2.86493804 3.61643924 Mn 35.77691289 41.20886556 36.68660981 -2.51469204 -1.56021649 -2.12611254 Pd 36.96998706 42.78659167 35.03179502 -0.78575545 -0.69876386 -0.50588385 Mn 38.88827846 43.59229395 35.84444708 3.66693974 1.23215774 1.09007511 Al 37.73889902 40.09792017 37.40387336 4.50866381 10.07791583 -4.78733415 Mn 38.46895060 41.40492925 39.56188233 9.22865501 -9.00703306 1.45199865 Mn 35.41292233 42.75996803 38.10866199 -0.64084592 -3.41862729 -1.64932235 Mn 36.35537420 43.57716227 39.31830999 -15.70220136 10.33054826 -4.22754894 Pd 40.15627730 40.48860521 35.32217982 -5.66528988 11.58958134 -14.25320848 Mn 41.23472617 40.53886893 36.27485935 -23.71834159 -12.13430599 -37.24015497 Pd 42.59873547 42.13147094 35.73687245 0.30059481 -0.81481352 -2.61761948 Pd 43.92559625 44.04766302 36.10684823 2.50900364 3.21114439 -0.08425844 Al 42.10788530 40.75522111 37.51657418 35.62453168 8.30587385 52.41730274 Mn 43.61638875 41.35646630 39.45798400 -0.12602520 -1.57121562 1.55577965 Mn 40.16825079 42.44807682 38.04939063 -5.02251429 -9.24985630 -3.00355398 Mn 40.74485345 43.73790771 38.18304511 2.37205465 10.71140973 0.26673514 Pd 34.95203378 35.09935651 40.47427548 0.41394200 0.80453108 1.03378671 Al 36.91760592 35.99971936 41.57688746 -50.64549856 27.82409615 -91.30114531 Al 37.66142343 37.04824324 40.60527832 28.85266196 51.29635609 -34.81717820 Al 38.74319891 39.69068750 41.35434324 6.59925591 -6.01414563 5.43922261 Mn 37.08195462 35.33142790 42.77965784 16.25895029 -75.06070026 130.71614190 Al 38.32201077 36.64068715 43.82123363 0.68370613 1.89310181 2.29451637 Al 35.27471426 37.87421171 43.15708886 1.08856301 0.08585947 -0.03787792 Mn 37.14775266 39.28367535 43.66409212 7.51153405 -22.08280612 46.27255937 Al 40.12053163 35.31027344 39.55970474 5.16873402 -1.13726966 1.12607479 Mn 41.83426833 36.51902482 41.48078015 -11.57934756 11.43172476 0.33363975 Pd 42.64810378 37.63714033 40.62129257 20.27142828 -17.49977851 4.89146765 Pd 43.54689968 39.21364915 41.53138899 1379.04400011 -660.06796138 -1571.22681589 Al 42.02208626 34.93312426 42.07075729 2.46846905 -22.63501785 8.28607432 Pd 43.26310480 36.58341155 43.53656451 -0.63960330 0.85248477 -0.96242898 Al 40.04950205 37.64102376 42.41707517 -22.88940998 -22.59933066 -18.05798274 Pd 41.14544245 38.69273131 43.20721418 19.72769700 20.39075858 19.09155267 Mn 34.89783445 40.42200774 40.13754728 -10.37828102 -14.80085706 -7.06725336 Pd 35.74021554 41.57738975 40.78952240 7.90670151 11.26741541 9.12766693 Mn 37.55525005 43.05002569 39.67932090 17.23017541 -4.22631786 4.74438326 Al 39.24329252 43.26677793 41.69181448 -18.84518709 7.56639711 -15.87635247 Al 36.99967487 39.98807141 42.27382784 -14.01943252 25.31324959 -41.81884462 Mn 38.94731772 41.29872420 43.84798595 -2.67493438 -2.53514028 -1.53271720 Pd 35.04394988 43.10123228 43.02729204 -608.29450155 -398.03565749 -211.24102992 Al 36.06666938 43.77166185 43.38418598 608.00480180 398.29542337 212.19192487 Pd 39.25412205 40.58806586 39.71480307 -5.08826120 10.52670448 -10.68233217 Pd 41.46835372 40.81990556 41.31496215 -2.91736844 -0.69307675 0.47402319 Al 41.72665056 42.53764020 40.09095090 0.60008870 3.51920060 -2.67814755 Pd 43.35164756 43.98014418 41.83754079 -0.89265672 -1.83086070 0.57513782 Al 42.83432598 39.56960414 42.35789795 -1359.18638120 681.72637091 1583.91623405 Mn 43.53629691 41.65037532 43.01785993 -0.94423817 0.74589863 -0.95893932 Al 40.52432611 42.63637645 42.79856435 -219.34348011 -1169.02663551 -1815.64326379 Pd 40.64986962 43.24746165 43.76321862 238.40093298 1160.00652987 1830.96691987