500 Lattice="18.266363821855634 0.0 0.0 0.0 18.266363821855634 0.0 0.0 0.0 18.266363821855634" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1835.657653334295 stress="-0.004661352622256553 -0.0022954840778032413 -9.808593751043545e-05 -0.0022954840778032413 -0.006801154977021102 -0.0020381229904686024 -9.808593751043545e-05 -0.0020381229904686024 -0.008279431755700704" free_energy=-1835.657653334295 pbc="F F F" Al 0.00185385 0.01036639 0.01507838 1.08182230 1.12304152 1.09617376 Ni 1.79758166 1.85500982 0.01771971 0.21188013 -0.33893531 1.76790047 Ni 1.79550512 0.03388630 1.81379848 0.43016322 1.60039120 -0.26264349 Ni 0.03455058 1.79964583 1.85126797 1.58081031 0.35569931 -0.09358176 Ni 3.63962807 0.01953127 0.00261326 -0.34190964 1.67999618 1.52885284 Ni 5.47939209 1.86792644 0.00588971 0.27492640 -0.24387072 1.43479867 Al 5.48934686 0.02331013 1.84435292 -1.37813911 1.11746152 -1.44940029 Ni 3.63049095 1.84909241 1.80066645 -0.23354419 -0.57991147 -0.37186589 Ni 7.36407439 0.01560154 0.02781511 -0.10597348 1.56157863 1.13904719 Ni 9.12839396 1.81283620 0.00818497 -0.12205923 0.04234023 1.27643693 Al 9.10347976 0.00298240 1.79872019 0.65654387 -1.12445290 -2.41750520 Ni 7.28840240 1.82259316 1.83434527 -0.01376020 0.19356371 -0.67085988 Ni 10.95451349 0.01541161 0.00963183 0.01454745 1.40235271 1.14329275 Ni 12.77632718 1.78988394 0.02306773 -0.05245904 0.35849815 1.26078025 Al 12.80647317 0.00833294 1.77674248 -2.02510105 -0.70154224 0.28440775 Al 10.92943253 1.86240397 1.83476649 0.76853045 1.73366229 -2.55144536 Al 14.58695041 0.00568617 0.04280581 1.95568108 1.28474282 -0.58924568 Ni 16.46150104 1.81513437 0.00104178 -1.64617789 0.20391511 1.85726543 Ni 16.46158106 0.03121161 1.86607132 -1.36964965 1.43345990 -0.22705959 Ni 14.63015855 1.84289907 1.83142477 0.41045338 0.07416252 -0.51520571 Al 0.00904285 3.63884887 0.00365155 -0.08637564 -2.72840237 -0.11970108 Al 1.80234947 5.50324563 0.01510018 2.47487640 -0.62640765 -0.37937208 Ni 1.83473810 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3.69712720 0.01988207 0.24455238 -0.34157116 1.65164798 Ni 16.46548925 5.47198061 0.01166355 -1.69015001 -0.10404717 1.46146593 Ni 16.43792953 3.63960204 1.81865396 -1.65605575 0.07015461 -0.19333874 Ni 14.67079492 5.46704518 1.83190529 0.28559975 -0.21482636 -0.38064340 Al 0.02621428 7.28547065 0.01004553 -1.72666182 1.08336931 -1.44675451 Al 1.85795133 9.14627842 0.00333310 0.97091778 1.11223461 -1.04785640 Ni 1.77212687 7.31632089 1.84940884 0.44662145 0.02482950 -0.37295148 Al 0.01527554 9.13413259 1.85579984 -2.63946542 -0.03549139 -1.99610114 Al 3.67807936 7.30425301 0.02017513 -0.76732019 0.03373896 1.07691206 Al 5.50055629 9.10042042 0.00321096 -0.01624808 2.79213840 0.88091163 Ni 5.51977952 7.32869077 1.81210282 -0.25331190 -0.11040088 0.19798005 Ni 3.68682971 9.13791223 1.83350952 -0.25841357 0.10829618 -0.21799992 Al 7.33713911 7.28619719 0.04793856 2.34970782 1.20285450 -0.56060643 Ni 9.14653517 9.14846257 0.01528361 -0.10666772 0.10882654 1.23501775 Ni 9.09042183 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16.44171249 10.97991561 1.80491801 -1.36612854 0.07371972 -0.03086254 Al 14.59180968 12.76430453 1.83703476 5.06544177 0.76163236 -0.55863018 Al 0.00339004 14.60014398 0.01586380 -0.82468065 -1.32547501 0.01119570 Al 1.86233828 16.47019244 0.01597551 1.08722756 -0.21979729 -1.89033545 Ni 1.88350049 14.63241240 1.86582270 -0.56078908 -0.16174794 -0.29288553 Al 0.06435611 16.43468909 1.80980915 -0.28846594 0.07998101 3.02056782 Ni 3.60026403 14.62125510 0.02973483 -0.07203847 -0.07982185 1.32955891 Al 5.45747206 16.42799080 0.03618886 1.41181760 -1.22481243 -0.13053994 Ni 5.46247133 14.58708105 1.78272625 0.05623930 0.55024732 -0.09125579 Al 3.62302122 16.43452971 1.83034437 0.28037511 -0.01527276 1.94816722 Ni 7.29666055 14.58177834 0.03175992 0.09697424 0.17150775 1.38238939 Al 9.14933655 16.43463372 0.02512816 -1.47307472 0.19528716 -1.68090428 Al 9.12523728 14.59698713 1.79885521 -1.28944730 -1.12073152 0.29820049 Ni 7.33307804 16.45082545 1.83826271 -0.25120549 -1.27295664 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