Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_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=3.614960163831712 cohesive_energy=3.540273359443754 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: 0.01548979382202244 Energy: 0.27205817526253634 Energy: 0.27205817526253634 Energy: 0.01548979382202244 Energy: 0.2720581752639819 Energy: 0.27205817526253634 Energy: 0.01548979382202244 Energy: 0.27205817526253634 Energy: 0.27205817526253634 Energy: 0.01548979382202244 Energy: 0.2695050657405599 Energy: 0.01841701569208622 Energy: 0.27150230208865006 Energy: 0.2695050657391144 Energy: 0.01841701569208622 Energy: 0.27150230208865006 Energy: 0.2695050657420055 Energy: 0.01841701569208622 Energy: 0.2715023020900956 Energy: 0.2695050657391144 Energy: 1.04236015689502 Energy: 0.01631495976520146 Energy: 0.01631495976375592 Energy: 1.0423601568964656 Energy: 0.01631495976520146 Energy: 0.01631495976231038 Energy: 1.044360478789201 Energy: 0.01631495976520146 Energy: 0.2007155097472161 Energy: 1.067179671130163 Energy: 0.2695050657420055 Energy: 0.27150230208865006 Energy: 0.01841701569208622 Energy: 0.2695050657376689 Energy: 0.2715023020915412 Energy: 0.01841701569208622 Energy: 0.2695050657405599 Energy: 0.2715023020900956 Energy: 0.01841701569208622 Energy: 0.2695050657405599 Energy: 0.015489793824913525 Energy: 0.27205817526253634 Energy: 0.27205817526253634 Energy: 0.015489793824913525 Energy: 0.27205817526253634 Energy: 0.27205817526253634 Energy: 0.015489793824913525 Energy: 0.27205817526253634 Energy: 0.27205817526253634 Energy: 0.015489793824913525 Energy: 0.2695050657420055 Energy: 0.01841701569208622 Energy: 0.27150230208865006 Energy: 0.2695050657376689 Energy: 0.01841701569208622 Energy: 0.27150230208865006 Energy: 0.2695050657405599 Energy: 0.01841701569208622 Energy: 0.27150230208865006 Energy: 0.2695050657376689 Energy: 1.1325643159850936 Energy: 0.01631495976375592 Energy: 0.4012727343889941 Energy: 1.1325643159879846 Energy: 0.01631495976520146 Energy: 0.4012727343889941 Energy: 1.0356435448167949 Energy: 0.01631495976375592 Energy: 0.40805259239192665 Energy: 1.2850127895755121 minimum gb energy = 0.01548979382202244 eV minimum distance = 2.34493869784166 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.7297767881999132 Energy: 0.7287982561024594 Energy: 0.7286423910223022 Energy: 0.6252450732019781 Energy: 0.7287982561038757 Energy: 0.7286423910184395 Energy: 0.7297767882059004 Energy: 0.728798256100013 Energy: 0.7286423910191476 Energy: 0.6252450732030724 Energy: 0.6309029009163334 Energy: 0.674309807167319 Energy: 0.71423801547073 Energy: 0.6309029009177497 Energy: 0.6743098071644863 Energy: 0.7142380154731764 Energy: 0.6309029009127926 Energy: 0.6743098071619755 Energy: 0.7142380154799362 Energy: 0.6309029009103461 Energy: 0.6589840504893084 Energy: 0.765181484205455 Energy: 0.7222262255542086 Energy: 0.6861628278137718 Energy: 0.7651814842068714 Energy: 0.7222257587280949 Energy: 0.6589840505045018 Energy: 0.7651814842004979 Energy: 0.7222258265386898 Energy: 0.6861628278137718 Energy: 0.7279686641990715 Energy: 0.8155197296127239 Energy: 0.5566831178267765 Energy: 0.7279686641980415 Energy: 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0.6298766749272973 Energy: 0.7287982561070946 Energy: 0.7286423910194695 Energy: 0.6991639862995604 Energy: 0.6309029009167196 Energy: 0.6743098071666107 Energy: 0.7142380154721463 Energy: 0.6309029009135008 Energy: 0.6743098071666107 Energy: 0.7142380154763953 Energy: 0.6309029009188442 Energy: 0.67430980716307 Energy: 0.7142380154792279 Energy: 0.6309029009160114 Energy: 0.7566165209065105 Energy: 0.7651814842015279 Energy: 0.7222249291816351 Energy: 0.6812529129756772 Energy: 0.765181484205455 Energy: 0.7222272300873909 Energy: 0.7566165209086351 Energy: 0.7651814841997896 Energy: 0.7222256013332397 Energy: 0.6812529129756772 Energy: 0.7279686641990715 Energy: 0.8155197296109856 Energy: 0.5566831178263902 Energy: 0.7279686641994578 Energy: 0.8155197296081529 Energy: 0.5566831178330856 Energy: 0.7279686642075694 Energy: 0.8155197296053202 Energy: 0.5566831178345021 Energy: 0.7279686642026124 minimum gb energy = 0.5405941322395168 eV minimum distance = 2.42265947817148 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.8221792978051143 Energy: 0.6260822845896536 Energy: 0.6259255829771119 Energy: 0.7400039843479314 Energy: 0.6260822845879259 Energy: 0.6259255829771119 Energy: 0.8221792978033866 Energy: 0.6260822845913815 Energy: 0.6259255829805674 Energy: 0.7400039843479314 Energy: 0.7245466248762991 Energy: 0.7543510897610535 Energy: 0.7230474919441153 Energy: 0.7245466248762991 Energy: 0.7543510897627813 Energy: 0.7230474919510262 Energy: 0.7245466248711159 Energy: 0.7543510897593259 Energy: 0.7230474919544818 Energy: 0.7245466248745713 Energy: 0.8126757267992536 Energy: 0.7363618225804628 Energy: 0.6281713575747999 Energy: 0.7859220356229272 Energy: 0.736361822578735 Energy: 0.6281713575730722 Energy: 0.8126757267957981 Energy: 0.7363618225839181 Energy: 0.6281713575765278 Energy: 0.7859220356298381 Energy: 0.7123335148411533 Energy: 0.712386028187387 Energy: 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0.8506651229657365 Energy: 0.8717296581357526 Energy: 0.8970863434351457 Energy: 0.843704643635525 Energy: 0.903723926695696 Energy: 0.9046491389404863 Energy: 0.8437046436345134 Energy: 0.9037239266977194 Energy: 0.9046491389394746 Energy: 0.8437046436362837 Energy: 0.9037239266954431 Energy: 0.9046491389402334 Energy: 0.8437046436340075 Energy: 0.8429657111666434 Energy: 0.8434328672982594 Energy: 0.8962494374937235 Energy: 0.842965711167908 Energy: 0.8434328672975007 Energy: 0.8962494374937235 Energy: 0.8429657111681609 Energy: 0.8434328672972478 Energy: 0.8962494374937235 Energy: 0.8429657111676551 Energy: 0.9346939983462103 Energy: 0.8917719446886997 Energy: 0.8917551475164637 Energy: 0.9346939983454513 Energy: 0.8917719446884468 Energy: 0.891755147517958 Energy: 0.9346939983462103 Energy: 0.8917719446884468 Energy: 0.8917551475187168 Energy: 0.9346939983444396 Energy: 0.8429692495565311 Energy: 0.8964216356657327 Energy: 0.8434536668657289 Energy: 0.8429692495550136 Energy: 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minimum distance = 2.32042407246825 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.882904237382798 Energy: 0.8867263881243975 Energy: 0.8842648348694596 Energy: 0.8829042373814266 Energy: 0.8867263881253117 Energy: 0.8842648348708311 Energy: 0.8829042373823409 Energy: 0.8867263881239404 Energy: 0.8842648348703739 Energy: 0.8829042373823409 Energy: 0.8818399070330354 Energy: 0.8838214787495441 Energy: 0.8833151032039228 Energy: 0.881839907031664 Energy: 0.8838214787490869 Energy: 0.8833151032057512 Energy: 0.8818399070357782 Energy: 0.8838214787495441 Energy: 0.8833151032048371 Energy: 0.8818399070344067 Energy: 0.8832776240121909 Energy: 0.8840034462914684 Energy: 1.0077708342684832 Energy: 0.8832776240099054 Energy: 0.8840034462887258 Energy: 1.007770834267112 Energy: 0.8832776240108196 Energy: 0.884003446293297 Energy: 1.0077708342693974 Energy: 0.8832776240112767 Energy: 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0.835210205940657 Energy: 0.8940356543789175 Energy: 0.825612190777796 Energy: 0.8656262445937385 Energy: 0.8266864657960822 Energy: 0.8256121907798681 Energy: 0.8656262445916664 Energy: 0.8266864658002264 Energy: 0.8256121907819404 Energy: 0.8656262445833779 Energy: 0.8266864657960822 Energy: 0.8256121907757239 Energy: 0.8443503066985995 Energy: 0.9526365922659928 Energy: 0.8336869060251184 Energy: 0.8443503067089602 Energy: 0.9526365922639206 Energy: 0.833686906033407 Energy: 0.8443503067048159 Energy: 0.9526365922701371 Energy: 0.8336869060230464 Energy: 0.8443503066985995 minimum gb energy = 0.820483670112051 eV minimum distance = 2.28349793007075 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.7656526754330859 Energy: 0.7663746930155266 Energy: 0.7661617401790398 Energy: 0.7656526754353162 Energy: 0.7663746930147719 Energy: 0.7661617401790398 Energy: 0.7656526754330859 Energy: 0.766374693014017 Energy: 0.7661617401790398 Energy: 0.7656526754360712 Energy: 0.7888565813486603 Energy: 0.7596370996002311 Energy: 0.7683588618946767 Energy: 0.7888565813501701 Energy: 0.7596370996009859 Energy: 0.7683588618976964 Energy: 0.788856581352435 Energy: 0.7596370995994761 Energy: 0.7683588618946767 Energy: 0.78885658135168 Energy: 0.7594138787083766 Energy: 0.7528507016884481 Energy: 0.7749213604484867 Energy: 0.7594138787083766 Energy: 0.7528507016884481 Energy: 0.7749213604507514 Energy: 0.7594138787076216 Energy: 0.7528507016884481 Energy: 0.7749213604492416 Energy: 0.7594138787083766 Energy: 0.8619826388632658 Energy: 0.8697083095672173 Energy: 0.7929590681732266 Energy: 0.8619826388625108 Energy: 0.8697083095694821 Energy: 0.7929590681732266 Energy: 0.8619826388640206 Energy: 0.8697083095672173 Energy: 0.7929590681732266 Energy: 0.861982638861756 Energy: 0.8516532059882141 Energy: 0.7641018628141972 Energy: 0.8628587163502921 Energy: 0.8516532059874593 Energy: 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0.7639627768314305 Energy: 0.7642419277604234 Energy: 0.8567527850679599 Energy: 0.7639627768292002 Energy: 0.7642419277604234 Energy: 0.8567527850672051 Energy: 0.7639627768314305 Energy: 0.7642419277604234 Energy: 0.8567527850936268 Energy: 0.8665650713699966 Energy: 0.7828460607740197 Energy: 0.988955733485826 Energy: 0.8665650713684867 Energy: 0.7828460607740197 Energy: 0.988955733485826 Energy: 0.8665650713692417 Energy: 0.7828460607740197 Energy: 0.988955733485826 Energy: 0.8665650713684867 Energy: 0.8515199872995382 Energy: 0.7564663713432812 Energy: 0.7875750230441587 Energy: 0.8515199872987833 Energy: 0.7564663713432812 Energy: 0.7875750230441587 Energy: 0.8515199872995382 Energy: 0.7564663713440362 Energy: 0.7875750230441587 Energy: 0.8515199872995382 Energy: 0.7835305755048075 Energy: 0.76018366350873 Energy: 0.8515178866790531 Energy: 0.7835305755025428 Energy: 0.7601836635064997 Energy: 0.8515178866790531 Energy: 0.7835305755048075 Energy: 0.760183663509485 Energy: 0.8515178866798081 Energy: 0.7835305755025428 Energy: 0.7638555589038496 Energy: 0.8580264889312539 Energy: 0.7638352333081364 Energy: 0.7638555589053593 Energy: 0.8580264889312539 Energy: 0.7638352333066266 Energy: 0.7638555589038496 Energy: 0.8580264889320087 Energy: 0.7638352333073816 Energy: 0.7638555589053593 Energy: 0.773431131901583 Energy: 0.7592808197007312 Energy: 0.760812754528742 Energy: 0.773431131900828 Energy: 0.7592808197037509 Energy: 0.7608127545317616 Energy: 0.773431131901583 Energy: 0.7592808197007312 Energy: 0.7608127545294969 Energy: 0.773431131900828 minimum gb energy = 0.7528507016884481 eV minimum distance = 2.30125123080448 Angstroms sigma value = 33