Model name: model_name=EAM_Dynamo_NormanStarikovStegailov_2012_Au__MO_592431957881_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Au Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.068500626087188 cohesive_energy=4.299700974521185 mass=196.9665 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.58971609044262e-20, 9.76613175961236e-20, 1.4088371730453179e-19, 1.8959357198438997e-19, 2.4160663423056595e-19, 3.0183405607925996e-19, 3.6785975516639994e-19, 4.3243228004650197e-19, 4.87060094559366e-19, 5.2923899662605e-19, 5.60298792852774e-19, 5.832291448385819e-19, 6.0181759814625e-19, 6.17937097260924e-19, 6.319817776345679e-19, 6.44196772292184e-19, 6.547855576662899e-19, 6.638634904745339e-19, 6.71478636015936e-19, 6.7769668353249e-19, 6.8254326785034e-19, 6.860263998526559e-19, 6.88130057773098e-19, 6.88833413315424e-19, 6.880419380582279e-19, 6.854175727317359e-19, 6.8052292311486595e-19, 6.728324752716659e-19, 6.6195209375017185e-19, 6.47304994962144e-19, 6.2819743642506e-19, 6.039324713031299e-19, 5.738003353474919e-19, 5.366602787947379e-19, 4.90943770720182e-19, 4.34787479698482e-19, 3.6551416857422396e-19, 2.7989064489999596e-19] 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: 0.014812815810021154 Energy: 0.017647275987338593 Energy: 0.017647275987338593 Energy: 0.017647275987338593 Energy: 0.01712056819287439 Energy: 0.016071661528740656 Energy: 0.016071661528740656 Energy: 0.016071661528740656 Energy: 0.016071661528740656 Energy: 0.016705072367667072 Energy: 0.018621883002735092 Energy: 0.018621883002735092 Energy: 0.018621883002735092 Energy: 0.018621883002735092 Energy: 0.018621883002735092 Energy: 0.018621883002735092 Energy: 0.018621883002735092 Energy: 0.018621883002735092 Energy: 0.09143598136260714 Energy: 0.09143598136260714 Energy: 0.09143598136260714 Energy: 0.017126881879206725 Energy: 0.015358945472750627 Energy: 0.015358945472750627 Energy: 0.015358945472750627 Energy: 0.015358945472750627 Energy: 0.016639476820126942 Energy: 0.015275722509822195 Energy: 0.015275722509822195 Energy: 0.015275722509822195 Energy: 0.015275722509822195 Energy: 0.01594408996984651 Energy: 0.015653351403293814 Energy: 0.015653351403293814 Energy: 0.015653351403293814 Energy: 0.015653351403293814 Energy: 0.01612177971731657 Energy: 0.015434543208071643 Energy: 0.015434543208071643 Energy: 0.015434543208071643 Energy: 0.015434543208071643 Energy: 0.015434543208071643 Energy: 0.015434543208071643 Energy: 0.015914090110545304 Energy: 0.015534199928641149 Energy: 0.015534199928641149 Energy: 0.015534199928641149 Energy: 0.015534199928641149 Energy: 0.016538765852859717 Energy: 11.013336046429485 Energy: 11.013336046429485 Energy: 11.013336046429485 Energy: 11.013336046429485 Energy: 0.01595895652962213 Energy: 0.01765687449739429 Energy: 0.01765687449739429 Energy: 0.01765687449739429 Energy: 0.01765687449739429 Energy: 0.01570027883362151 Energy: 0.01801945918561191 Energy: 0.01854735173457434 Energy: 0.01854735173457434 Energy: 0.01854735173457434 Energy: 0.01854735173457434 Energy: 0.01854735173457434 Energy: 0.01844438963577903 Energy: 0.01844438963577903 Energy: 0.01844438963577903 Energy: 0.01844438963577903 Energy: 0.01844438963577903 minimum gb energy = 0.014812815810021154 eV minimum distance = 2.86706311813047 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.7181291529878591 Energy: 7.613591685263089 Energy: 5.72471614994697 Energy: 5.724887904878442 Energy: 7.627696894629526 Energy: 0.6744674419307989 Energy: 7.626649428394024 Energy: 5.728065341508688 Energy: 5.728065341508688 Energy: 7.611631944015721 Energy: 7.6136828536294106 Energy: 7.6136828536294106 Energy: 5.02873367061393 Energy: 0.6840838910975888 Energy: 0.6370831441213233 Energy: 7.620846387424374 Energy: 5.155202700407853 Energy: 4.985096627732828 Energy: 0.6823486498681838 Energy: 0.6823486498681838 Energy: 1.5176354032314558 Energy: 7.600752340696562 Energy: 7.608412715948614 Energy: 5.9085346133372845 Energy: 1.5138423956968314 Energy: 1.5047137077869057 Energy: 7.606759622098747 Energy: 7.607001907384454 Energy: 5.908764779520453 Energy: 1.5191378473514991 Energy: 1.4830263807195219 Energy: 4.990966393726823 Energy: 0.7409250141407212 Energy: 1.5078424834318769 Energy: 1.5025246739993223 Energy: 1.5083230527496538 Energy: 5.0000613636733044 Energy: 0.7756807743236108 Energy: 1.521551194191096 Energy: 1.5543012859374818 Energy: 1.6462917642840862 Energy: 0.6907988139473977 Energy: 1.6135077235277144 Energy: 5.057215904812553 Energy: 5.062660688815741 Energy: 1.5669788521069838 Energy: 0.6954338018550276 Energy: 0.788064911070814 Energy: 5.056339106410971 Energy: 5.061009030587836 Energy: 0.7400997010563564 Energy: 7.5088645018781515 Energy: 1.6123888802137079 Energy: 5.054979761535522 Energy: 5.057642451588342 Energy: 0.7527823274542574 Energy: 7.510132002733219 Energy: 1.609964403547832 Energy: 5.07177908792601 Energy: 5.0554771846225055 Energy: 1.6767874054125698 Energy: 1.5596002604044144 Energy: 7.659131994303876 Energy: 7.61705389099269 Energy: 0.713954124626324 Energy: 1.5977738227954386 Energy: 1.5571407746003074 Energy: 7.653028919885229 Energy: 7.6166284996819815 Energy: 0.7277802646473377 Energy: 5.730168742241731 Energy: 0.706268673331772 Energy: 7.622207549643766 Energy: 7.625576591623439 Energy: 0.7070641800860992 Energy: 5.726605265514091 Energy: 0.705490894799865 Energy: 0.7520738511747814 Energy: 7.6171120735756155 Energy: 0.7176950617337601 Energy: 1.5497783490342683 Energy: 0.6443016418641353 Energy: 7.620359884576183 Energy: 7.671866857772878 Energy: 4.986506196559637 Energy: 1.5557659024375756 Energy: 0.6452145810571587 Energy: 7.616684829530118 Energy: 7.672726279175693 Energy: 5.04993690833153 Energy: 0.7448601874483531 Energy: 1.5324859882134958 Energy: 1.5307591821966129 Energy: 5.067765989841048 Energy: 7.602757096646535 Energy: 4.988135065587908 Energy: 1.531714246967685 Energy: 1.5301907647590463 Energy: 5.1313017361666935 Energy: 7.60263997198439 Energy: 5.08709337028059 Energy: 1.5320517778446912 Energy: 1.528829053436179 Energy: 5.043655053502909 Energy: 7.609224937559924 Energy: 5.10254094594529 Energy: 1.5305799460501033 Energy: 1.5303602362269395 Energy: 4.976768456041272 Energy: 7.608922306490564 Energy: 5.016538950662273 Energy: 5.064994721278732 Energy: 0.7659443168968902 Energy: 1.5600802569995755 Energy: 1.5796260297272817 Energy: 5.031274795449786 Energy: 5.033140900715057 Energy: 1.5954153441739216 Energy: 1.568575844176726 Energy: 1.5735130264504842 Energy: 5.042445281011426 Energy: 5.056433341093027 Energy: 5.9120915059832395 Energy: 7.509625542514868 Energy: 0.7373036279421059 Energy: 5.033557718571867 Energy: 5.046664551166513 Energy: 1.599032020877935 Energy: 7.508453753806361 Energy: 0.7368669852842302 Energy: 8.494149549132779 Energy: 8.494149549132779 Energy: 0.70998867933082 Energy: 1.601351100855177 Energy: 1.6659908641404035 Energy: 7.620850769497993 Energy: 0.6376412794038098 Energy: 0.679835568601706 Energy: 1.5595478641860674 Energy: 1.5595478641860674 Energy: 0.7524846896058591 Energy: 8.491385984172332 Energy: 5.725077249693171 Energy: 5.724012354314227 Energy: 7.633763030086976 Energy: 0.6785041996031208 Energy: 7.625867884714804 Energy: 5.7275078651850855 Energy: 5.7275078651850855 Energy: 7.61350689479145 Energy: 7.612956072990387 Energy: 7.612956072990387 Energy: 7.612956072990387 Energy: 0.6819220069955122 Energy: 7.624827609011893 Energy: 7.621257277311186 Energy: 0.6759082013922207 Energy: 5.864084081858828 Energy: 0.680858018990557 Energy: 8.490874232607938 Energy: 1.5195981567665433 Energy: 0.7426959305756005 Energy: 7.607303790466206 Energy: 5.04279762400098 Energy: 1.5137405174727439 Energy: 1.5056591691891843 Energy: 7.6086769732649975 Energy: 7.609839175489568 Energy: 1.5071022265812712 Energy: 1.5192815051354842 Energy: 1.485040659202286 Energy: 0.6225634089208806 Energy: 7.608832087589564 Energy: 5.975769194976336 Energy: 0.6570797797193916 Energy: 1.508090142932045 Energy: 0.6207933016870881 Energy: 0.6194933329916175 Energy: 1.516430996666667 Energy: 0.666913043336805 Energy: 1.6496645597817807 Energy: 1.5571345081173131 Energy: 0.7336016702577205 Energy: 5.059693316414405 Energy: 5.062291167224188 Energy: 1.63217003677343 Energy: 1.5597766097966175 Energy: 0.7847228369966831 Energy: 5.059403394371855 Energy: 5.056521085957259 Energy: 0.740953737504206 Energy: 7.507543583252728 Energy: 1.6125253318820387 Energy: 5.053341010292061 Energy: 5.055020275473228 Energy: 7.508459235193505 Energy: 7.509718800429749 Energy: 5.919892038424589 Energy: 0.7288817480625286 Energy: 5.055794342363249 Energy: 1.6937969361956675 Energy: 1.6387233123775777 Energy: 1.6387233123775777 Energy: 0.6632589699914386 Energy: 0.7303930936967356 Energy: 1.7060842688757707 Energy: 1.5625035704660934 Energy: 7.655342905123372 Energy: 0.6622371275120866 Energy: 0.7126687603364087 Energy: 5.729779350131024 Energy: 0.7112010915082279 Energy: 7.6229793170401345 Energy: 7.616009682218816 Energy: 0.7067242021695836 Energy: 5.726533589135975 Energy: 0.7112166233975107 Energy: 7.760905427304093 Energy: 7.615656380959483 Energy: 0.706220354435936 Energy: 1.5518851962373659 Energy: 0.7350243793173794 Energy: 7.6165849758120645 Energy: 7.67015620786998 Energy: 5.04439870693936 Energy: 1.5555831732897136 Energy: 0.7052648223465585 Energy: 7.616245223661215 Energy: 7.670922578972663 Energy: 5.054411614288049 Energy: 4.984997075924176 Energy: 1.53314850144636 Energy: 1.5324242305115465 Energy: 5.127506486223184 Energy: 7.607058214191642 Energy: 4.989789141776451 Energy: 1.5329315423771772 Energy: 1.5314134380738482 Energy: 5.11531134342507 Energy: 7.60726490089566 Energy: 5.040192818692759 Energy: 1.5314703393844316 Energy: 1.5295892976439152 Energy: 5.037029699722571 Energy: 7.610435222256346 Energy: 5.099549735691725 Energy: 1.5308578463049292 Energy: 1.5278922316172252 Energy: 5.054240836987077 Energy: 7.608084984839928 Energy: 5.018593291565391 Energy: 5.066066242313745 Energy: 0.7764317019223334 Energy: 1.57193136293586 Energy: 1.579675018641336 Energy: 5.029573983924381 Energy: 5.0344398151165475 Energy: 5.0344398151165475 Energy: 1.5717078260271833 Energy: 1.573475360648968 Energy: 5.04267602441578 Energy: 0.7417931954826761 Energy: 5.911377927833841 Energy: 7.50917839743232 Energy: 0.7378628104773537 Energy: 5.033637435688139 Energy: 5.041737572568156 Energy: 1.5991401024844372 Energy: 7.507717966017303 Energy: 0.7373951369142676 Energy: 1.575749917239041 Energy: 1.575749917239041 Energy: 0.712213502663879 Energy: 1.6000936013444382 Energy: 1.5948314950681424 Energy: 0.6142658279924997 Energy: 0.6353009857778856 Energy: 0.6801844835682874 Energy: 1.564921203519937 Energy: 1.564921203519937 Energy: 0.704594078825618 Energy: 8.491410091109506 Energy: 5.726755686175554 Energy: 4.889506206064851 Energy: 7.634894809830291 Energy: 0.677318745738848 Energy: 7.625718390058908 Energy: 5.727097146753789 Energy: 5.727097146753789 Energy: 7.683852978259533 minimum gb energy = 0.6142658279924997 eV minimum distance = 0.00320843518328994 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 10.791461896817156 Energy: 0.747264523833036 Energy: 6.858238573846807 Energy: 6.85875267120247 Energy: 0.6604502681481863 Energy: 10.755861530679638 Energy: 0.6603917893910729 Energy: 6.859171632611882 Energy: 6.859171632611882 Energy: 0.7454033097953819 Energy: 0.8783723103477242 Energy: 0.8783723103477242 Energy: 7.129835434576335 Energy: 0.6761587985463156 Energy: 0.6777276726627328 Energy: 0.6924328384958249 Energy: 6.525649569806984 Energy: 7.125722782089496 Energy: 0.6980231353568853 Energy: 0.6980231353568853 Energy: 1.3217882483524201 Energy: 0.6557999571328055 Energy: 0.6555702443365616 Energy: 7.186934101413113 Energy: 0.6568853851512936 Energy: 1.3291168259572725 Energy: 0.6547745858769475 Energy: 0.6511176981505602 Energy: 1.3279086765820565 Energy: 0.6526289959008651 Energy: 1.3689424552364626 Energy: 6.519391425496 Energy: 6.54675736547213 Energy: 1.3270042462231524 Energy: 0.6601492025307465 Energy: 1.345678841582853 Energy: 6.525425936746484 Energy: 6.55967937359029 Energy: 1.3209094428387778 Energy: 0.6674930106732235 Energy: 0.6916799207022459 Energy: 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Energy: 10.759010939759442 Energy: 0.6786248313703034 Energy: 1.297077667752919 Energy: 0.684486770692249 Energy: 10.76136967443617 Energy: 0.6941336084725013 Energy: 0.6754634985925869 Energy: 6.5175047078572526 Energy: 1.3346270504516882 Energy: 1.3243846553442642 Energy: 6.58388096276615 Energy: 0.6587687550301341 Energy: 6.520358396003757 Energy: 1.3355085634366322 Energy: 1.3267178495259617 Energy: 6.605496855859937 Energy: 0.6539381804516374 Energy: 6.589862647453621 Energy: 0.7494010999076041 Energy: 0.659894778161535 Energy: 7.206751878335574 Energy: 0.6559962229914211 Energy: 6.588246319384246 Energy: 0.7468467529281007 Energy: 0.725062614145828 Energy: 6.5565407956350885 Energy: 0.6490956592153815 Energy: 0.6958765869712418 Energy: 1.3138016748444388 Energy: 1.3341469501978656 Energy: 0.6945504449790574 Energy: 6.53135431546105 Energy: 0.694956030335904 Energy: 1.3128740831111623 Energy: 1.3549242775011003 Energy: 0.6851015276947869 Energy: 6.536631341752012 Energy: 0.6873705527946906 Energy: 6.859141431021353 Energy: 0.6644681552138899 Energy: 10.765330376619113 Energy: 0.6826731419928238 Energy: 6.245528193138552 Energy: 6.246710008743082 Energy: 0.6692806392394178 Energy: 10.763368195258733 Energy: 0.6814003162263956 Energy: 0.6736155212763267 Energy: 1.3029378869459816 Energy: 0.6822816459755262 Energy: 10.762218684679356 Energy: 0.6838014864265609 Energy: 1.2727156265905901 Energy: 1.3032011398050125 Energy: 0.6817671326481947 Energy: 10.761845856627014 Energy: 0.6698230616433121 Energy: 0.6540820237413676 Energy: 6.517511664490797 Energy: 1.333034008037158 Energy: 1.315217044548049 Energy: 6.573240840020192 Energy: 0.6533282657244158 Energy: 6.521045967650189 Energy: 1.335587351453737 Energy: 1.3181722278651382 Energy: 6.573657748940309 Energy: 0.659298064239177 Energy: 6.57524974330511 Energy: 0.7090655295579866 Energy: 0.7504583216991362 Energy: 6.56889654155592 Energy: 0.6549483706249495 Energy: 7.217636891435898 Energy: 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