Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.658364850282671 cohesive_energy=4.002359338939786 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 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: 0.018474402321999886 Energy: 0.28165244901968606 Energy: 0.27626317593011074 Energy: 0.2816736519768544 Energy: 0.018474402322972205 Energy: 0.28165244901990827 Energy: -0.08769630881752195 Energy: 0.13565415179438678 Energy: -0.45177308638049934 Energy: 0.04286056649879939 Energy: -0.45522733242043606 Energy: 0.1356541517914698 Energy: -0.4517730863609696 Energy: 0.04286056649829934 Energy: 0.01847440232224991 Energy: 0.28165244901968606 Energy: 0.2762631759293606 Energy: 0.2816736519768544 Energy: 0.018474402322972205 Energy: 0.28165244901990827 Energy: -0.08769630875470999 Energy: 0.13565415179416454 Energy: -0.45177308630768637 Energy: 0.04286056649879939 Energy: -0.4552273297739992 Energy: 0.1356541517919421 Energy: -0.45177308637805463 Energy: 0.04286056649829934 Energy: 0.01847440232224991 Energy: 0.28165244901968606 Energy: 0.2762631759298606 Energy: 0.2816736519771044 Energy: 0.018474402323222235 Energy: 0.28165244901990827 Energy: -0.08769630909927294 Energy: 0.13565415179316442 Energy: -0.4517730863528854 Energy: 0.04286056649902164 Energy: -0.455227324668339 Energy: 0.1356541517921921 Energy: -0.45177308635949714 Energy: 0.04286056649804931 minimum gb energy = -0.45522733242043606 eV minimum distance = 2.56485439513367 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: -3.3985830168186903 Energy: -3.3921882725169423 Energy: -3.702013529560642 Energy: -3.333025257666145 Energy: -3.39627706218409 Energy: -3.4265550741913122 Energy: -3.349471333616957 Energy: -3.431768645028359 Energy: -3.4611922980671057 Energy: -3.926494084361407 Energy: -3.744205469485357 Energy: -3.431768451816987 Energy: -3.436267053525227 Energy: -3.927329312772413 Energy: -3.6053125740336247 Energy: -3.412279770120703 Energy: -3.1216385386029857 Energy: -3.4268496378725453 Energy: -3.6068851612269826 Energy: -3.412798619320208 Energy: -3.118967812210727 Energy: -3.308135755358987 Energy: -3.9204124010879084 Energy: -3.173883481852504 Energy: -3.5299144886217424 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38.21321070173819 ======================================== Energy: 0.38535963383745514 Energy: -2.5674967728515474 Energy: -2.0222257385474354 Energy: -1.2182264280938568 Energy: 0.38535963383468314 Energy: -1.2235785403433523 Energy: -2.3010071018956686 Energy: -0.16025347648647842 Energy: -2.2883702111060207 Energy: -2.543174710493275 Energy: -0.9519998571511675 Energy: -0.16010473944230472 Energy: -0.07171598516868226 Energy: -2.2102088750196773 Energy: -0.6647701816798677 Energy: -1.3782974614920445 Energy: -2.2080229372770517 Energy: -2.2366721447088422 Energy: -0.45392797700152315 Energy: -1.4106201899768025 Energy: -2.1270360094214107 Energy: -3.305905363344438 Energy: -2.461404446126752 Energy: -1.8625981276712167 Energy: -1.2252851763940482 Energy: -0.489799387655915 Energy: -2.438130194226003 Energy: -2.1712174751579143 Energy: -1.4616378375069707 Energy: -0.6073535333297849 Energy: -2.2515108855517902 Energy: -0.8513764230296713 Energy: -1.4627545667225874 Energy: 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Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: -0.9779490948254747 Energy: -0.7962270134233463 Energy: -1.5692262322467005 Energy: -0.8174849727540751 Energy: -0.9779490948198661 Energy: -0.7962270170868777 Energy: -1.6315373610072033 Energy: -0.8797590927321389 Energy: -1.7219428604258515 Energy: -1.356395736223947 Energy: -1.4725774239300984 Energy: -0.8797590923896118 Energy: -1.7463133055105182 Energy: -1.3563957362245076 Energy: -1.014924029167649 Energy: -0.9982431369312869 Energy: -1.2449269175294027 Energy: -0.9697510790459867 Energy: -1.0149240291682098 Energy: -0.9982429857065865 Energy: -1.244926917528281 Energy: -1.3883169675202045 Energy: -1.62191350470305 Energy: -1.2120881797869123 Energy: -1.1626562105377978 Energy: -1.3883169675151568 Energy: -1.6223837624778612 Energy: -1.212088179781304 Energy: -1.5792982426895605 Energy: -1.1515329759385498 Energy: -1.4715363871049627 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Energy: -1.0411134498906252 Energy: -0.7239093148312052 Energy: -1.0793382569632917 Energy: -1.5090517424739698 Energy: -1.2694292232820445 Energy: -1.5508142377309373 Energy: -1.0793382565501226 Energy: -1.5090517418589708 Energy: -1.2694362900548988 Energy: -1.5763289515823842 Energy: -1.3261606226844942 Energy: -1.3458248007933105 Energy: -1.5001253315381506 Energy: -1.5763289515913326 Energy: -1.326160587994415 Energy: -1.3458248007916278 Energy: -1.3363173874673762 Energy: -1.0465633706473398 Energy: -1.1049635073541422 Energy: -1.4418848788264982 Energy: -1.336317387465694 Energy: -1.0465633706479007 Energy: -1.1049635072795745 Energy: -1.1568528028947809 Energy: -1.369552369265685 Energy: -1.3749051727945212 Energy: -1.5905451129578 Energy: -1.156852802656521 Energy: -1.3695522679452252 Energy: -1.3749051726952761 Energy: -0.6504641191173869 Energy: -1.1462328724166213 Energy: -1.214295767017325 Energy: -1.3326792766395053 Energy: -0.650464119113461 Energy: -1.146232872413817 Energy: -1.2142379663600384 minimum gb energy = -1.7667950373719 eV minimum distance = 2.21549860051301 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: -4.743266110044276 Energy: -4.113845448672071 Energy: -4.02861580664059 Energy: -4.1057152210508345 Energy: -4.743266110156904 Energy: -4.10675537731861 Energy: -4.313982569044565 Energy: -4.016293636701742 Energy: -3.651811877630269 Energy: -3.8884045176800095 Energy: -4.827964268966526 Energy: -4.029146169346936 Energy: -3.6516115080232474 Energy: -3.888508888118381 Energy: -4.406274751684075 Energy: -5.021966030354317 Energy: -4.969334725591829 Energy: -5.353063601817203 Energy: -4.406274806198867 Energy: -5.015172867878253 Energy: -4.969501095696004 Energy: -4.407883795158528 Energy: -4.267652135711548 Energy: -4.333281159168613 Energy: -5.3675543740531335 Energy: -4.4078837951522685 Energy: -4.2676764689048685 Energy: -4.306776873441181 Energy: -4.853277837579101 Energy: -4.268202877493941 Energy: -4.6026940160605925 Energy: -4.7722879432324365 Energy: -4.851866934535452 Energy: -4.337732509823277 Energy: -4.591757274720151 Energy: -4.437570058255519 Energy: -5.361088443921796 Energy: -3.823736152127107 Energy: -3.792684289421152 Energy: -4.453615585839616 Energy: -5.32371598303406 Energy: -4.429485416970353 Energy: -4.290963951818463 Energy: -5.2334639408575185 Energy: -5.246578580492469 Energy: -4.416085450946695 Energy: -4.2955328228358765 Energy: -5.158934715864154 Energy: -5.248901375776225 Energy: -4.95344139311237 Energy: -3.4745026677366573 Energy: -5.125847759516192 Energy: -4.667570018715179 Energy: -5.251669719360882 Energy: -5.496753299026273 Energy: -5.106904973798636 Energy: -4.231288055811588 Energy: -4.504682981489503 Energy: -4.505567382603119 Energy: -5.225659714729405 Energy: -4.246858122572879 Energy: -4.490210048133384 Energy: -4.470502286873485 Energy: -5.087358762605303 Energy: 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Energy: -4.62356284192877 Energy: -4.279869259942189 Energy: -4.425142857390437 Energy: -3.369010791386676 Energy: -4.619230130878868 Energy: -4.283658853367302 Energy: -4.436702061036628 Energy: -4.678612695327136 Energy: -4.564023898988391 Energy: -4.855136521397182 Energy: -4.006633039479351 Energy: -4.64040726437784 Energy: -4.510369819900161 Energy: -4.85488749484911 Energy: -5.247141284088205 Energy: -3.799544015717667 Energy: -3.9938404600134634 Energy: -4.619866068742415 Energy: -5.252148836244778 Energy: -3.802876619092326 Energy: -4.151957890031253 Energy: -4.676203396446887 Energy: -5.010042582882816 Energy: -4.366540371421817 Energy: -5.335758220312634 Energy: -4.773007532470317 Energy: -4.973426755518176 Energy: -4.365510846135742 Energy: -4.289857131225137 Energy: -4.088777323237251 Energy: -4.653039436471611 Energy: -4.585943507394204 Energy: -4.300379899759548 Energy: -4.084484139287909 Energy: -4.663372929891083 Energy: -3.3988118228483843 Energy: -4.639744940900584 Energy: -4.222850912410986 Energy: -4.741690908664277 Energy: -3.400646059866714 Energy: -4.638829740361093 Energy: -4.223303964037685 Energy: -3.7219144705566802 Energy: -3.4392735617901247 Energy: -4.129133016722597 Energy: -4.3648086516220115 Energy: -3.746150256589903 Energy: -3.439273558317239 Energy: -4.10462193783384 Energy: -4.648162949895838 Energy: -3.8169726909373662 Energy: -4.232766185530142 Energy: -3.4064378672530955 Energy: -4.782570562917468 Energy: -5.118223495794504 Energy: -4.400196370479467 Energy: -4.527285725579805 Energy: -3.539892175308863 Energy: -3.431030452639578 Energy: -3.9268925117458955 Energy: -4.52102288522309 Energy: -3.56051347542928 Energy: -4.3075910579314165 Energy: -4.776181917747857 Energy: -5.059683418317855 Energy: -4.0022907237194065 Energy: -3.708166897879974 Energy: -4.754210559695443 Energy: -5.057920396739175 Energy: -4.02243268034086 Energy: -4.735860947957728 Energy: -4.6963651811590985 Energy: -4.6018156911562755 Energy: 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Energy: -4.79468620343288 Energy: -4.266041311828157 Energy: -3.8030507446201622 Energy: -5.394962756403554 Energy: -3.755817029367926 Energy: -4.0487835710599 Energy: -3.803118500987413 Energy: -5.336292648050789 Energy: -3.756191350738087 Energy: -5.56856314496158 Energy: -4.236049364526917 Energy: -5.350904806797847 Energy: -5.508579344756898 Energy: -5.600572753493357 Energy: -4.236049022614136 Energy: -5.282756255989777 Energy: -4.085611203659418 Energy: -4.082179545286786 Energy: -5.43389437182923 Energy: -4.258587885809254 Energy: -4.085154577685655 Energy: -4.054855815424866 Energy: -5.503037894161544 Energy: -4.585410170056432 Energy: -5.0025619832637425 Energy: -4.389486935291832 Energy: -3.861277338500359 Energy: -4.5854105502209785 Energy: -5.006759116626972 Energy: -4.401438145605963 minimum gb energy = -5.663611202696782 eV minimum distance = 2.23857334077671 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: -0.8063625023230825 Energy: -1.4287123451855712 Energy: -2.189931232231534 Energy: -1.4287123377399757 Energy: -0.8063625023209653 Energy: -1.4287122559421326 Energy: -1.7304373574172034 Energy: -0.806362502321671 Energy: -1.4287122827328618 Energy: -1.946560016491737 Energy: -1.428712260662036 Energy: -0.8063625023230825 Energy: -1.4287123089014326 Energy: -1.4921143371854 Energy: -0.806362502321671 Energy: -1.4287123513698805 Energy: -2.2847700101705857 Energy: -1.4287122677309363 Energy: -0.8063625023237881 Energy: -1.4287123241763444 Energy: -1.847800824601489 Energy: -0.8063625023237881 Energy: -1.428712287301099 Energy: -2.2864609686038553 Energy: -1.4287122828464511 Energy: -0.8063625023209653 Energy: -1.4287122717263834 Energy: -1.9111621136436807 Energy: -0.8063625023209653 Energy: -1.4287122663490357 Energy: -2.281540824365295 Energy: -1.4287122028368442 Energy: -0.8063625023237881 Energy: -1.4287122839419566 Energy: 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Energy: -1.4287122619444617 Energy: -1.492114332794235 Energy: -1.4287122151377458 Energy: -0.8063625023209653 Energy: -1.428712310184564 Energy: -1.4921143347037593 Energy: -0.8063625023209653 Energy: -1.4287123414779306 Energy: -1.4921143308091984 Energy: -1.4287122128458805 Energy: -0.8063625023251997 Energy: -1.4287122800262242 Energy: -1.4921143309813305 Energy: -0.8063625023223767 Energy: -1.4287122821671292 Energy: -1.4921143348081742 Energy: -1.4287121554749496 Energy: -0.8063625023244939 Energy: -1.428712313990942 Energy: -1.4921143381130078 Energy: -0.8063625023237881 Energy: -1.428712170874742 Energy: -1.4921143334079248 Energy: -1.4287123117710283 Energy: -0.8063625023202595 Energy: -1.428712115047258 Energy: -1.492114327916314 Energy: -0.8063625023209653 Energy: -1.4287122154079412 Energy: -1.4921143328358406 Energy: -1.4287122557044325 Energy: -0.8063625023259053 Energy: -1.428712243415496 Energy: -1.492114331144288 minimum gb energy = -2.3303600112371954 eV minimum distance = 2.34397073641249 Angstroms sigma value = 23