Model name: model_name=EAM_Mendelev_2019_CuZr__MO_945018740343_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.640646010637284 cohesive_energy=3.276684801703484 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.014134068995046399 Energy: 0.3457617518388692 Energy: 0.3457617518388692 Energy: 0.16354596040468525 Energy: 0.3457617518417196 Energy: 0.34576175184457003 Energy: 0.014134068993621181 Energy: 0.3457617518502709 Energy: 0.3457617518474204 Energy: 0.16354596040326003 Energy: 0.34204640243291595 Energy: 0.1660999597019147 Energy: 0.34379965662880624 Energy: 0.3420464024514438 Energy: 0.16609995969478863 Energy: 0.34379965663593237 Energy: 0.3420464024414672 Energy: 0.1660999596919382 Energy: 0.3437996566373576 Energy: 0.3420464024514438 Energy: 0.507053848674333 Energy: 0.16390457046126283 Energy: 0.4560206098997589 Energy: 0.5953932721921926 Energy: 0.3182269125639703 Energy: 0.3216997596714996 Energy: 0.7947622174418386 Energy: 0.3182269125796477 Energy: 0.45602060990970306 Energy: 0.06059393648550474 Energy: 0.3420464024457429 Energy: 0.34379965662880624 Energy: 0.16609995970904082 Energy: 0.3420464024371916 Energy: 0.34379965664163326 Energy: 0.017016804185167985 Energy: 0.3420464024485933 Energy: 0.3437996566345071 Energy: 0.16609995969763908 Energy: 0.34204640244004203 Energy: 0.014134069006448138 Energy: 0.34576175184884567 Energy: 0.3457617518459952 Energy: 0.16354596039898436 Energy: 0.3457617518360187 Energy: 0.34576175183744395 Energy: 0.014134069000747268 Energy: 0.34576175184314484 Energy: 0.3457617518331683 Energy: 0.16354596039755914 Energy: 0.3420464024386168 Energy: 0.1660999597076156 Energy: 0.3437996566302315 Energy: 0.3420464024371916 Energy: 0.16609995970333993 Energy: 0.343799656640208 Energy: 0.34204640245571943 Energy: 0.1660999597076156 Energy: 0.34379965662310535 Energy: 0.34204640244004203 Energy: 0.060455424417009365 Energy: 0.16390457046838888 Energy: 0.18715590253280337 Energy: 0.0605635637002403 Energy: 0.16390457046696372 Energy: 0.18715590254702313 Energy: 0.060579186016383915 Energy: 0.16390457046411328 Energy: 0.18715590252995293 Energy: 0.06056213702182302 minimum gb energy = 0.014134068993621181 eV minimum distance = 2.55056010845427 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.9367115669449078 Energy: 1.0955574960597723 Energy: 1.0957557001487082 Energy: 0.9138632029400147 Energy: 1.0955574960764978 Energy: 1.0957557001267144 Energy: 0.9367115669302456 Energy: 1.0955574960691667 Energy: 1.0957557001201133 Energy: 0.9138632029414111 Energy: 0.951004806287689 Energy: 0.888928140664183 Energy: 1.0598085041889833 Energy: 0.9510048062000952 Energy: 0.8889281406610411 Energy: 1.059808504193871 Energy: 0.9510048062925766 Energy: 0.8889281406561536 Energy: 1.0598085042053915 Energy: 0.9510048063571294 Energy: 0.9126142958789757 Energy: 1.0748673229210526 Energy: 1.0963540458119938 Energy: 0.9128177444522131 Energy: 1.0748673229395553 Energy: 1.0963540458329082 Energy: 0.9126142958702481 Energy: 1.0748673229241945 Energy: 1.096354045835003 Energy: 0.9128177444609407 Energy: 1.0019273012716412 Energy: 1.0985532359082004 Energy: 0.7657805529120704 Energy: 1.0019273012751324 Energy: 1.0985532359120405 Energy: 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1.0955574960629142 Energy: 1.0957557001312528 Energy: 0.9142624112590353 Energy: 0.9510048064433266 Energy: 0.8889281406537098 Energy: 1.0598085041917762 Energy: 0.9510048062172014 Energy: 0.8889281406509171 Energy: 1.059808504193871 Energy: 0.9510048065075302 Energy: 0.8889281406526625 Energy: 1.0598085042039949 Energy: 0.9510048063229488 Energy: 0.9122750644508777 Energy: 1.0748673229207035 Energy: 1.0963540458241807 Energy: 0.912033295437828 Energy: 1.074867322919307 Energy: 1.0963540458419851 Energy: 0.9122750644459902 Energy: 1.0748673229252421 Energy: 1.0963540458301155 Energy: 0.9120332954462065 Energy: 1.0019273012911596 Energy: 1.098553235897029 Energy: 0.7657805529019462 Energy: 1.0019273012737357 Energy: 1.0985532359019163 Energy: 0.7657805529127686 Energy: 1.001927301263961 Energy: 1.098553235912739 Energy: 0.7657805528981061 Energy: 1.0019273012726886 minimum gb energy = 0.725250689478958 eV minimum distance = 2.34594862147143 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.0805271485039798 Energy: 0.8253062949419276 Energy: 0.8249579360469029 Energy: 1.0702834173806033 Energy: 0.8253062949385207 Energy: 0.8249579360417926 Energy: 1.0805271485005727 Energy: 0.8253062949453346 Energy: 0.8249579360349787 Energy: 1.0702834173669757 Energy: 0.8231958409056573 Energy: 1.0511932112505793 Energy: 1.0902203870733989 Energy: 0.8231958409413991 Energy: 1.0511932112454687 Energy: 1.0902203870836196 Energy: 0.823195840989065 Energy: 1.0511932112369513 Energy: 1.0902203870904332 Energy: 0.8231958410129134 Energy: 0.947660493920521 Energy: 0.9734963642494319 Energy: 0.8240124181922248 Energy: 0.9475555633776556 Energy: 0.9734963642477285 Energy: 0.8240124181871146 Energy: 0.9476604939154105 Energy: 0.9734963642477285 Energy: 0.8240124181820041 Energy: 0.9475555633759521 Energy: 1.065680541316193 Energy: 1.0218958049043192 Energy: 0.8295386158590926 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1.1171940017885267 Energy: 1.1084456567354584 Energy: 1.1503289422224874 Energy: 1.1171940017832902 Energy: 1.1084456567309697 Energy: 1.1503289422227367 Energy: 1.1171940017713438 Energy: 1.1084456567267307 Energy: 1.1503289422217393 Energy: 1.1171940017835398 Energy: 1.170536515172328 Energy: 1.0661768298861143 Energy: 1.0475507680536138 Energy: 1.1705365151713305 Energy: 1.0661768298925975 Energy: 1.0475802185607728 Energy: 1.1705365151728269 Energy: 1.0661768298933458 Energy: 1.0475507680481506 Energy: 1.1705365151738243 Energy: 1.1080604434464683 Energy: 1.1159142919162761 Energy: 1.0374500246952283 Energy: 1.1080604434469667 Energy: 1.1159142919240064 Energy: 1.0374500246932337 Energy: 1.1080604434469667 Energy: 1.1159142919187697 Energy: 1.0374500247024598 Energy: 1.1080604434384886 minimum gb energy = 1.0366110688283914 eV minimum distance = 2.29931448120251 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.0550503218192098 Energy: 1.0511086005474723 Energy: 1.0510302575962454 Energy: 1.0550503218223646 Energy: 1.051108600549726 Energy: 1.0510302575944426 Energy: 1.0550503218151535 Energy: 1.0511086005501766 Energy: 1.0510302576016537 Energy: 1.0550503218196605 Energy: 1.048192607648925 Energy: 1.055265769893529 Energy: 1.0511018298617416 Energy: 1.0481926076579184 Energy: 1.0552657698867687 Energy: 1.0511018298599388 Energy: 1.048192607649376 Energy: 1.0552657698867687 Energy: 1.051101829859488 Energy: 1.0481926076498265 Energy: 1.0494509728420596 Energy: 1.049391534907544 Energy: 1.1171287623894144 Energy: 1.0494509728461159 Energy: 1.0493915349161071 Energy: 1.1171287623817525 Energy: 1.049450972842961 Energy: 1.0493915349097973 Energy: 1.1171287623858088 Energy: 1.0494509728375527 Energy: 1.1170990089220425 Energy: 1.0494924840655695 Energy: 1.0495046186105474 Energy: 1.117099008925648 Energy: 1.0494924840601816 Energy: 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1.0543573505253097 Energy: 1.1654475301510387 Energy: 0.9855671736023109 Energy: 1.0543573505191808 Energy: 1.1654475301469527 Energy: 0.9855671736002678 Energy: 1.01212556060114 Energy: 1.1049169871564741 Energy: 1.1308629157425103 Energy: 1.0271898553684422 Energy: 1.1049169871483022 Energy: 1.1308629157384242 Energy: 1.01212556060114 Energy: 1.104916987154431 Energy: 1.1308629157384242 Energy: 1.0271898553643564 minimum gb energy = 0.9846988991298985 eV minimum distance = 2.15210549859419 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.9595750915639354 Energy: 0.9536242245740498 Energy: 0.9536244237966717 Energy: 0.9595750915609581 Energy: 0.9536242245703284 Energy: 0.9536244237818194 Energy: 0.9595750915527709 Energy: 0.9536242245852142 Energy: 0.9536244237922058 Energy: 0.9595750915542595 Energy: 1.060684587921922 Energy: 0.9394031636297916 Energy: 0.9376661600909497 Energy: 1.0606845879055473 Energy: 0.9394031636320244 Energy: 0.9376661600924384 Energy: 1.0606845879115019 Energy: 0.9394031636201157 Energy: 0.9376661600827625 Energy: 1.0606845879211777 Energy: 1.0588951113045377 Energy: 0.9266270211669801 Energy: 1.115814384650875 Energy: 1.043821364368347 Energy: 0.9266270211640029 Energy: 1.1673965737670084 Energy: 1.0438213643690912 Energy: 0.9266270211729345 Energy: 1.1673965737610876 Energy: 1.0438213643646257 Energy: 1.0375049424322593 Energy: 1.1141781186601358 Energy: 1.023166899852401 Energy: 1.0375049424218392 Energy: 1.1141781186579032 Energy: 1.0231668998576111 Energy: 1.0375049424322593 Energy: 1.1141781186720447 Energy: 1.0231668998501684 Energy: 1.0375049424307707 Energy: 1.0320005730401582 Energy: 0.9512989070192552 Energy: 1.1438811428185156 Energy: 1.0320005729835917 Energy: 0.9512989070163116 Energy: 1.1438811428200042 Energy: 1.0320005729999662 Energy: 0.9512989070133346 Energy: 1.1438811428214928 Energy: 1.0320005730282495 Energy: 0.9976927044110859 Energy: 1.076825126306734 Energy: 0.9395520677620294 Energy: 0.9976927044081086 Energy: 1.0768251262948254 Energy: 0.9395520677620294 Energy: 0.9976927044148073 Energy: 1.0768251262955695 Energy: 0.9395520677449446 Energy: 0.9976927044043873 Energy: 1.0833438874560612 Energy: 0.9731021157924179 Energy: 0.9266266322265913 Energy: 1.0833438874553167 Energy: 0.9731021157857531 Energy: 0.9266266322213812 Energy: 1.0833438874582941 Energy: 0.9731021157924179 Energy: 0.9266266322213812 Energy: 1.0833438874597827 Energy: 1.0179964254717813 Energy: 1.0957079418109146 Energy: 1.0174456350580343 Energy: 1.01799642547848 Energy: 1.0957079418079374 Energy: 1.0174456350662213 Energy: 1.0179964254755027 Energy: 1.0957079418116589 Energy: 1.0174456350699428 Energy: 1.0179964254792242 Energy: 1.135543172169384 Energy: 1.0682628812924826 Energy: 0.9516989246023345 Energy: 1.135543216620562 Energy: 1.0682628813043913 Energy: 0.9516989246253736 Energy: 1.13554317127217 Energy: 1.0682628812947155 Energy: 0.9516989246104879 Energy: 1.1355431699010425 Energy: 1.0240527919658593 Energy: 1.0586352072365686 Energy: 1.0640108619758444 Energy: 1.024052791977768 Energy: 1.0586352072388014 Energy: 1.0640108619959405 Energy: 1.0240527919666038 Energy: 1.0586352072536873 Energy: 1.0640108619803101 Energy: 1.0240527919710694 Energy: 1.0084317373650913 Energy: 0.9352489208550611 Energy: 0.9840757591438791 Energy: 1.008431737368779 Energy: 0.9352489208595267 Energy: 0.9840757591535549 Energy: 1.0084317373784548 Energy: 0.9352489208520839 Energy: 0.9840757591662078 Energy: 1.0084317373777105 Energy: 1.0586850357628224 Energy: 0.9359242572341836 Energy: 1.0548028186122298 Energy: 1.0586850357680324 Energy: 0.9359242572446037 Energy: 1.0548028186278602 Energy: 1.058685035771754 Energy: 0.9359242572319506 Energy: 1.054802818624883 Energy: 1.058685035774731 Energy: 0.9347475570511677 Energy: 1.0083295751441432 Energy: 0.9348900742642591 Energy: 0.9347475570489348 Energy: 1.0083295751515862 Energy: 0.9348900742776224 Energy: 0.9347475570593551 Energy: 1.0083295751493533 Energy: 0.9348900742761677 Energy: 0.9347475570496792 Energy: 1.0480564924954896 Energy: 0.9620989740350787 Energy: 1.0189463388321838 Energy: 1.0480564925163298 Energy: 0.9620989740239143 Energy: 1.018946338848558 Energy: 1.0480564925230285 Energy: 0.9620989740328458 Energy: 1.018946338855257 Energy: 1.0480564925103755 minimum gb energy = 0.9266266322213812 eV minimum distance = 2.22835530165339 Angstroms sigma value = 33