500 Lattice="17.560698117992615 0.0 0.0 0.0 17.560698117992615 0.0 0.0 0.0 17.560698117992615" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1407.9742061397205 stress="-0.0044583546185039055 -0.0008163463517243235 0.0011284879092251494 -0.0008163463517243235 -0.004363051805093265 -0.0002419045361962463 0.0011284879092251494 -0.0002419045361962463 -0.005353364330270011" free_energy=-1407.9742061397205 pbc="F F F" Al 0.00449295 0.01839693 0.02719662 0.46410487 0.17252375 0.43164756 Al 1.72624799 1.75483746 0.00090459 -0.99376612 -0.09693178 -0.63124397 H 1.79432463 0.04566799 1.74671262 0.02866427 -0.15063439 -0.20885123 H 0.00614865 1.80836022 1.71322605 -0.02076739 0.03651065 -0.01961727 Ni 3.51859329 0.02145620 0.04924681 -0.67769343 0.07344356 -0.11704232 Al 5.26493842 1.78384383 0.02798134 0.20247975 -1.87341560 -3.39720826 Al 5.25085778 0.00180472 1.78190802 0.31172131 -3.18216744 -0.17205390 Al 3.48644783 1.74721383 1.75562881 -1.27163920 -1.09466434 0.77166321 H 6.98489592 0.05163095 0.02061576 0.20200211 0.01102124 0.00709589 Ni 8.76783161 1.74171976 0.00987134 0.36063285 -0.01932232 0.93456972 Ni 8.73442285 0.02226222 1.78015944 0.21920609 0.62134427 0.12069291 Al 7.03407030 1.78203685 1.74353616 3.40536237 -0.91756851 1.09929290 H 10.57665945 0.00495431 0.00835316 -0.05489371 0.15954666 0.11803415 Al 12.28598513 1.75295609 0.01950097 0.35154189 0.91906557 0.43741522 Al 12.32292275 0.01070490 1.78451857 0.54376555 -0.49723784 -0.82728488 H 10.56966313 1.72086117 1.78128398 -0.06647276 -0.16650252 -0.10594531 H 14.02567483 0.03451996 0.02406594 0.06520789 0.15004127 0.12540527 Ni 15.83522518 1.75029256 0.01517142 -0.96884868 0.31222785 0.96730522 Al 15.77125158 0.00287797 1.76252755 -0.84569889 1.21990510 -0.16829739 Ni 14.05314972 1.74310573 1.79785005 0.47999998 0.31416987 -0.33667007 H 0.02042151 3.45285860 0.02212126 0.32915547 0.01824361 0.07651100 Al 1.72107716 5.28533880 0.00318027 -0.48602554 0.55133326 0.45865334 Ni 1.78428299 3.52292603 1.77494593 -0.86386878 0.36395450 -0.89190106 H 0.02789772 5.23304235 1.72314788 0.02082661 0.06453488 0.06860664 Al 3.53718136 3.52515634 0.02599916 -1.50273644 0.45607114 -2.26207159 Al 5.28920941 5.23734070 0.02914885 -0.83672711 3.02372062 -1.80847070 Al 5.28385257 3.51570729 1.76553855 -0.96440849 0.72642757 2.22202423 Ni 3.52886572 5.26922693 1.72351304 -0.15394273 1.26839304 0.55117859 Al 7.00359547 3.49421061 0.00773719 2.28410295 -0.50445636 -2.41834797 Al 8.76437560 5.27800305 0.01413810 1.39123306 0.45228178 -0.02629477 H 8.73903414 3.50890256 1.76905052 -0.04724994 0.13171692 0.05503561 Al 6.99014716 5.24048474 1.76305806 1.70475559 1.66741273 0.98634781 H 10.55429926 3.48108518 0.02618760 -0.01566974 0.05498629 -0.16547489 Ni 12.25420354 5.28866283 0.01109488 0.37024749 -0.78040949 0.53544742 H 12.27117443 3.51378415 1.70394336 0.06479536 0.11757800 -0.12090067 Ni 10.55287066 5.29221084 1.77996174 -0.37642700 -0.45157604 -0.49146546 Ni 14.08413014 3.48813237 0.01487788 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1.22908263 0.35046666 Ni 5.28565261 12.29565585 0.03777656 -0.90740033 -0.26393594 0.22142645 Ni 5.21760103 10.50136912 1.75157905 0.05049029 0.42115938 0.66475625 H 3.48919168 12.26469559 1.79000207 0.06250819 0.03093395 -0.26473063 H 7.08132270 10.48936373 0.05994567 -0.13805425 -0.01656871 -0.12261430 H 8.79841359 12.29301071 0.02403194 0.12303608 -0.05198544 -0.17630310 Al 8.76802410 10.56902441 1.75504275 1.67612936 0.50134047 0.46321363 Al 7.05276961 12.30136835 1.72931380 -0.71003019 -0.76427552 0.64246396 Ni 10.54796918 10.51278376 0.02139407 0.19872522 -0.29191431 1.02168202 H 12.27106838 12.29903997 0.04425547 0.02811470 -0.05330418 -0.17201958 H 12.23140293 10.52587094 1.74213835 -0.00249782 0.01035832 -0.05856291 H 10.51151119 12.33739587 1.73787398 -0.09152859 -0.10500798 0.02390875 Al 14.06252171 10.53791202 0.01658572 -0.49934246 -1.02659563 0.05543580 Al 15.78289405 12.27672586 0.02912385 0.30944354 0.55262338 -0.18225700 H 15.81735044 10.56119588 1.74796425 0.06870152 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15.81013396 12.27787973 3.53012037 -0.02164376 0.12598857 0.32861706 Ni 15.83068968 10.55340158 5.24820306 -1.00018510 0.25238140 0.18842451 Ni 14.04429241 12.29292602 5.26459765 0.42670125 -0.70950794 -0.15671506 Al 0.02416076 14.07354166 3.50853625 -2.19053590 -0.87344398 -1.39016974 Al 1.76713595 15.77103580 3.50252706 0.53485164 2.93767171 -0.72275082 Al 1.72036115 14.02687967 5.26875781 0.23278467 0.60710331 0.61461963 Ni 0.05055233 15.77874574 5.28314211 -0.07359298 0.11484422 0.55727200 Al 3.48770392 14.05791681 3.51740194 0.96362187 -1.50612783 -1.77419215 Ni 5.24358364 15.77228476 3.50516249 -0.19835720 0.35918589 -0.66611462 Al 5.29368363 14.02609033 5.28365921 -0.46119397 -0.37322389 0.79861374 H 3.55751013 15.79133576 5.21554749 0.04006861 0.16047197 -0.10152824 Al 7.01024626 14.06160069 3.51575828 -0.59723477 -1.59367032 -1.66671199 Al 8.78729896 15.77999455 3.50192287 0.95824341 1.98261544 -1.54819840 Al 8.79477560 14.05957223 5.25861290 0.39385543 -0.78408077 2.81455930 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5.30222351 8.81829805 10.54837732 0.08927019 0.20486916 0.07749743 Al 5.23471525 7.04485560 12.29110929 0.00618636 1.99690988 -0.83742340 Ni 3.51176972 8.75542766 12.24087322 0.31159185 0.14318569 0.19541126 Al 7.05185204 7.04017773 10.53999660 0.63033678 1.99615954 -0.57506107 Ni 8.76768484 8.77217223 10.51581705 0.83303842 0.26564428 0.29711404 H 8.77526525 7.00863817 12.25063946 -0.03768988 0.03856476 0.00400404 Ni 6.99451451 8.79317243 12.28249424 0.58889452 0.01790631 -0.26276397 H 10.53466481 7.00845213 10.54211100 -0.20962510 0.04048453 -0.18295681 Al 12.30700156 8.78304928 10.53560171 -1.77052957 -0.82386025 -1.85707732 H 12.25448958 7.04458293 12.28477554 -0.03491610 0.10114826 0.01179701 Ni 10.53773745 8.81356117 12.35833063 -1.21363804 -0.61312047 0.08697203 Al 14.04200713 7.02304590 10.53375716 0.26749218 -0.40884999 -2.06039960 H 15.81063562 8.76985038 10.52464260 0.10355293 0.07907298 0.23112202 Ni 15.82885323 7.04765212 12.25586484 0.23049941 0.42904330 0.02324119 Al 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14.08005001 6.99501052 14.02926987 0.43261402 0.19734330 0.56043407 H 15.82999863 8.74985483 14.07694954 0.14282832 -0.09780437 0.01653307 Ni 15.81308570 7.01544494 15.74843346 -0.44527583 -0.05606446 -0.19604889 Al 14.02031312 8.77117527 15.78729905 1.65303024 -1.46796910 2.66515238 Ni 0.03288166 10.56267083 14.02300160 -0.05793670 -0.35519202 0.66841207 Ni 1.78497219 12.24051700 14.02490537 -0.09651004 0.52929287 1.29078802 H 1.73807781 10.56993467 15.82727378 -0.02701415 0.03091107 -0.04122233 Al 0.01681977 12.30532570 15.78210599 0.87391079 0.11634235 -0.99149738 Ni 3.52400141 10.54003417 14.04836628 -0.10748355 0.23414511 0.31313080 H 5.24826009 12.31321449 14.08953450 -0.07082802 -0.03871620 -0.22515399 Al 5.24701618 10.54137178 15.78343482 -1.20104923 1.07618284 0.72650242 H 3.46951355 12.31366300 15.76939540 -0.16847098 0.02679852 0.00700533 Al 6.99701778 10.53167939 14.07757147 0.58930786 0.85603381 -1.87624252 Al 8.79350417 12.30352783 14.06036818 0.70297230 0.37304191 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14.02108385 -0.55111463 -0.50679844 0.46955908 Ni 15.79592911 14.07382493 15.77556462 -0.61110398 -0.05182716 -0.69786358 Ni 14.02991769 15.80135554 15.81926634 -0.02930017 -0.46579357 -0.69848843