Model name: model_name=EAM_Dynamo_NormanStarikovStegailov_2012_Au__MO_592431957881_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] 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=90.0 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: 0.013092803152470214 Energy: 0.013646053247068279 Energy: 0.013646053247068279 Energy: 7.740661984536234 Energy: 0.013646053247068279 Energy: 0.013646053247068279 Energy: 0.013646053247068279 Energy: 0.013646053247068279 Energy: 0.013646053247068279 Energy: 0.013646053247068279 Energy: 0.013092803152470214 Energy: 0.013646053247068279 Energy: 7.740661984536234 Energy: 7.740661984536234 Energy: 0.013646053247068279 Energy: 0.013646053247068279 minimum gb energy = 0.013092803152470214 eV minimum distance = 2.87130322510556 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 4.389052819705673 Energy: 8.257583832989353 Energy: 8.257583832989353 Energy: 9.101063123464087 Energy: 8.128664621434364 Energy: 8.128664621434364 Energy: 8.163879718814684 Energy: 8.163879718814684 Energy: 8.163879718814684 Energy: 8.124718004739114 Energy: 4.455156070774895 Energy: 8.124718005212129 Energy: 8.110191639094754 Energy: 8.110191639094754 Energy: 8.163771782572072 Energy: 8.163771782572072 Energy: 4.343918610612013 Energy: 8.137885469921663 Energy: 2.464987794406587 Energy: 8.137885469919862 Energy: 8.111901746594592 Energy: 8.111901746594592 Energy: 8.055701911663666 Energy: 8.055701911663666 Energy: 2.465134277502335 Energy: 4.386333652557836 Energy: 4.345233427346844 Energy: 4.3863336525590375 Energy: 6.248955800502017 Energy: 0.6609370619790103 Energy: 6.294516362878204 Energy: 0.6609370619802112 Energy: 4.272794038277924 Energy: 6.220609424315379 Energy: 6.101040305930088 Energy: 6.220609424314178 Energy: 6.267338665246244 Energy: 0.6496915354187066 Energy: 6.200230075442188 Energy: 0.6496915354175057 Energy: 4.29830172803512 Energy: 2.5036683595157228 Energy: 4.2722347566769185 Energy: 2.503668359515123 Energy: 6.154195445160823 Energy: 6.154195445160823 Energy: 6.251545328435128 Energy: 6.251545328435128 Energy: 4.245891019510857 Energy: 6.2382426521616985 Energy: 8.01004416973803 Energy: 6.238242652162899 Energy: 6.2828036167168735 Energy: 6.2828036167168735 Energy: 4.400216868945658 Energy: 4.400216868945658 Energy: 4.388404837746072 Energy: 6.328317969782018 Energy: 6.328317969782018 Energy: 6.328317969781418 Energy: 8.08927155806223 Energy: 8.08927155806223 Energy: 8.08927155806223 Energy: 8.08927155806223 Energy: 8.08927155806223 Energy: 10.122943302829384 Energy: 8.089473774864516 Energy: 10.122943302828183 Energy: 10.122943302828183 Energy: 10.122943302828183 Energy: 8.127999982870367 Energy: 8.127999982870367 Energy: 4.452472398142047 Energy: 8.123860565560143 Energy: 8.123860565560143 Energy: 8.123860565559543 Energy: 8.109260588744702 Energy: 8.109260588744702 Energy: 8.112130892809093 Energy: 8.112130892809093 Energy: 2.466719928563731 Energy: 8.139965949586982 Energy: 4.344001652933581 Energy: 8.139965949585177 Energy: 4.429170784073242 Energy: 4.429170784073242 Energy: 8.10997539509577 Energy: 8.10997539509577 Energy: 4.345202701106289 Energy: 4.386379587446041 Energy: 2.4642332858138576 Energy: 4.386379587446041 Energy: 8.054952297598103 Energy: 4.38398319090171 Energy: 6.252064996885423 Energy: 4.383983190900509 Energy: 6.103181626453774 Energy: 6.220357216075271 Energy: 4.272809659382282 Energy: 6.220357216074671 Energy: 2.5078671100593914 Energy: 0.6490721124739959 Energy: 6.2680074304341415 Energy: 0.6490721124739959 Energy: 4.272290478558748 Energy: 2.5048334558542775 Energy: 4.3015679075309405 Energy: 2.504833455854878 Energy: 6.172744494857239 Energy: 6.172744494857239 Energy: 6.154231326349189 Energy: 6.154231326349189 Energy: 8.007862185727623 Energy: 6.237311685225443 Energy: 4.245705195056556 Energy: 6.237311685224842 Energy: 4.394975191535075 Energy: 4.394975191535075 Energy: 6.285597338752119 Energy: 6.285597338752119 Energy: 6.285597338752119 Energy: 6.321364715002553 Energy: 4.387427672289991 Energy: 6.321364715001353 Energy: 6.321364715001353 Energy: 6.321364715001353 Energy: 8.089837726877855 Energy: 8.089837726877855 Energy: 8.100464374394907 Energy: 8.100464374394907 Energy: 8.100464374394907 Energy: 8.100464374394907 minimum gb energy = 0.6490721124739959 eV minimum distance = 0.0144731616044967 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 4.981995642185884 Energy: 9.244500946794847 Energy: 0.7557703248427715 Energy: 9.244500946797586 Energy: 9.209719663849175 Energy: 9.209719663849175 Energy: 9.229801092876393 Energy: 9.229801092876393 Energy: 9.229801092876393 Energy: 9.245536649295097 Energy: 4.917959148626605 Energy: 9.245536649297152 Energy: 9.155618338569258 Energy: 9.155618338569258 Energy: 9.229786619797242 Energy: 9.229786619797242 Energy: 4.918776999754567 Energy: 9.156434464062514 Energy: 2.739225974844051 Energy: 9.156434464063883 Energy: 9.156688472765941 Energy: 9.156688472765941 Energy: 4.924316941538027 Energy: 4.924316941538027 Energy: 2.7486854234290514 Energy: 7.0194674613275 Energy: 4.814414429372951 Energy: 7.0194674613268155 Energy: 7.006598491884562 Energy: 0.6848216989224085 Energy: 7.090999971914896 Energy: 0.6848216989230933 Energy: 4.815359781263485 Energy: 6.96064953885446 Energy: 4.779623972756403 Energy: 6.960649538855144 Energy: 6.987756228428224 Energy: 6.987756228428224 Energy: 2.8008395521754887 Energy: 2.8008395521754887 Energy: 4.8529151724875215 Energy: 6.973864030541504 Energy: 4.7729421451688046 Energy: 6.973864030533972 Energy: 4.852329983767547 Energy: 4.852329983767547 Energy: 7.0973300939969635 Energy: 7.0973300939969635 Energy: 7.0973300939969635 Energy: 7.093422177627317 Energy: 4.851958042470066 Energy: 7.093422177625947 Energy: 7.093422177625947 Energy: 7.093422177625947 Energy: 4.977248127729187 Energy: 4.977248127729187 Energy: 4.980168959086326 Energy: 11.339609912316494 Energy: 11.339609912316494 Energy: 11.339609912309646 Energy: 9.210547835842943 Energy: 9.210547835842943 Energy: 9.210547835842943 Energy: 9.210547835842943 Energy: 9.210547835842943 Energy: 9.246200241479364 Energy: 4.917186721318893 Energy: 9.24620024146704 Energy: 5.006349332489107 Energy: 5.006349332489107 Energy: 5.002627614789578 Energy: 5.002627614789578 Energy: 4.918837041601699 Energy: 9.156640323321122 Energy: 2.73554229253216 Energy: 9.156640323321806 Energy: 9.155227278073047 Energy: 9.155227278073047 Energy: 7.066910578796648 Energy: 7.066910578796648 Energy: 2.7446799312612065 Energy: 7.016980650163945 Energy: 4.814263736761564 Energy: 7.0169806501659995 Energy: 7.005898358755882 Energy: 0.6973582806242153 Energy: 4.923893747744251 Energy: 0.6973582806214764 Energy: 4.815494223103076 Energy: 6.960394357016042 Energy: 4.781683467214898 Energy: 6.9603943570133024 Energy: 6.987208450731969 Energy: 2.7727711001278545 Energy: 6.896164729748241 Energy: 2.772771100124431 Energy: 4.855699758917099 Energy: 6.97613741198145 Energy: 4.772571640661142 Energy: 6.9761374119807655 Energy: 4.851983026579128 Energy: 4.851983026579128 Energy: 7.074173597593974 Energy: 7.074173597593974 Energy: 7.074173597593974 Energy: 7.093159032806063 Energy: 4.854377115906291 Energy: 7.093159032804009 Energy: 7.093159032804009 Energy: 7.093159032804009 Energy: 4.975957037449853 Energy: 4.975957037449853 Energy: 4.977575649922572 Energy: 4.977575649922572 Energy: 4.977575649922572 Energy: 4.977575649922572 minimum gb energy = 0.6848216989224085 eV minimum distance = 0.00258302656286049 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 5.5943048891084235 Energy: 5.672281537121182 Energy: 0.7873889136720754 Energy: 6.918991795771003 Energy: 5.779191457707286 Energy: 5.779191457707286 Energy: 10.592595251284273 Energy: 10.592595251284273 Energy: 0.7868751391449627 Energy: 10.663848283882357 Energy: 0.8141219242019239 Energy: 10.663848283882357 Energy: 5.699738815247765 Energy: 5.699738815247765 Energy: 10.58820051277643 Energy: 10.58820051277643 Energy: 5.536247239313686 Energy: 5.648512977850193 Energy: 3.091301148811921 Energy: 5.648512977838252 Energy: 5.700476312919813 Energy: 0.7598495335666205 Energy: 8.072908552568142 Energy: 0.7598495335658246 Energy: 3.1088817535929074 Energy: 8.033930405394816 Energy: 0.7636354678139922 Energy: 8.033930405364604 Energy: 3.1095479446693544 Energy: 0.737077347786129 Energy: 8.076541160818195 Energy: 0.7370773477853331 Energy: 5.465205326731592 Energy: 3.1628263075830265 Energy: 5.481056537631678 Energy: 3.16282630758223 Energy: 8.077473696702885 Energy: 8.077473696702885 Energy: 7.9496225213472345 Energy: 7.9496225213472345 Energy: 5.595917451186874 Energy: 8.076057533462631 Energy: 0.7358918906493704 Energy: 8.076057533456263 Energy: 5.596231777532189 Energy: 5.596231777532189 Energy: 5.596231777532189 Energy: 5.596231777532189 Energy: 0.787161797976614 Energy: 8.125550057380725 Energy: 5.595201392126427 Energy: 8.125550057380725 Energy: 8.125550057380725 Energy: 8.125550057380725 Energy: 10.559573039363437 Energy: 10.559573039363437 Energy: 0.7300872968298983 Energy: 10.647078404337206 Energy: 10.647078404337206 Energy: 10.647078404337206 Energy: 5.696301264721195 Energy: 5.696301264721195 Energy: 5.69767956345165 Energy: 5.69767956345165 Energy: 3.08876131038988 Energy: 5.6486894375110195 Energy: 5.536993124922748 Energy: 5.648689437511815 Energy: 8.07381187330964 Energy: 5.649804636512352 Energy: 5.698834984911004 Energy: 5.649804636512352 Energy: 0.7451669575649466 Energy: 8.034545158946425 Energy: 3.1109015649606673 Energy: 8.034545158942445 Energy: 8.074451613047659 Energy: 3.114066957125731 Energy: 3.109563876657413 Energy: 3.1140669571249346 Energy: 5.477760847173141 Energy: 3.1633353288381394 Energy: 5.464785676997982 Energy: 3.1633353288381394 Energy: 5.477789902883017 Energy: 5.477789902883017 Energy: 3.2226673049513455 Energy: 3.2226673049513455 Energy: 3.2226673049513455 Energy: 8.075980271981424 Energy: 5.598435015913048 Energy: 8.07598027197665 Energy: 8.07598027197665 Energy: 8.07598027197665 Energy: 5.595200546451444 Energy: 5.595200546451444 Energy: 5.597211754922236 Energy: 8.124852532199318 Energy: 8.124852532199318 Energy: 8.124852532200908 minimum gb energy = 0.7300872968298983 eV minimum distance = 0.00211093163033711 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 0.8864674078598853 Energy: 6.71012134391496 Energy: 0.8337920659940462 Energy: 6.7101213439168585 Energy: 6.692278755848632 Energy: 6.692278755848632 Energy: 11.022817190620003 Energy: 11.022817190620003 Energy: 0.8373617723855047 Energy: 11.069685939401158 Energy: 6.610414783278453 Energy: 11.069685939400209 Energy: 5.183757876541606 Energy: 5.183757876541606 Energy: 5.252362442026852 Energy: 5.252362442026852 Energy: 0.7542914274003794 Energy: 5.179253939931899 Energy: 2.1680092781486664 Energy: 5.17925393993095 Energy: 6.678348683843278 Energy: 0.7981552023342177 Energy: 6.51021914940405 Energy: 0.798155202333268 Energy: 0.766080704259926 Energy: 6.495273824245404 Energy: 5.0236998543125315 Energy: 6.495273824245404 Energy: 2.231804369478774 Energy: 2.231804369478774 Energy: 2.2505055774616474 Energy: 2.2505055774616474 Energy: 0.800963164840528 Energy: 7.997212686190308 Energy: 6.508165160405327 Energy: 7.997212686189358 Energy: 6.663264338912644 Energy: 2.257608607732808 Energy: 6.506207856978041 Energy: 2.2576086077318585 Energy: 0.7370779523804137 Energy: 6.671830217500802 Energy: 0.7514160986250104 Energy: 6.6718302175017525 Energy: 6.660864880494721 Energy: 6.660864880494721 Energy: 5.269897206926077 Energy: 5.269897206926077 Energy: 0.8615398038196372 Energy: 11.02601528009399 Energy: 6.611308186380281 Energy: 11.026015280501175 Energy: 5.185561664034129 Energy: 5.185561664034129 Energy: 6.611876890380632 Energy: 6.611876890380632 Energy: 0.754672782342092 Energy: 5.17602880255587 Energy: 2.166169018101377 Energy: 5.176028802554921 Energy: 5.186350457338917 Energy: 5.166772733210882 Energy: 2.166298221431927 Energy: 5.166772733211831 Energy: 0.7662887410791109 Energy: 6.504893423343957 Energy: 5.025250889910708 Energy: 6.504893423343009 Energy: 0.7673437499011015 Energy: 2.235523146763688 Energy: 6.539653915278287 Energy: 2.235523146762739 Energy: 0.7825841109990331 Energy: 2.243813454017568 Energy: 6.506196425494508 Energy: 2.243813454019467 Energy: 2.243813454019467 Energy: 2.243813454019467 Energy: 6.506683049555205 Energy: 6.506683049555205 Energy: 0.7569319171114426 Energy: 8.122616058788608 Energy: 8.122616058788608 Energy: 8.12261605878766 minimum gb energy = 0.7370779523804137 eV minimum distance = 0.00151822347030389 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.8539174748525143 Energy: 7.9153666237816 Energy: 0.8463622275736383 Energy: 9.774996240062316 Energy: 7.9157517787133935 Energy: 7.9157517787133935 Energy: 8.032840370441706 Energy: 8.032840370441706 Energy: 4.517259701171422 Energy: 8.066196198442922 Energy: 7.832982160189639 Energy: 8.066196198442922 Energy: 11.56430873338033 Energy: 11.56430873338033 Energy: 8.033810329347936 Energy: 8.033810329347936 Energy: 0.755519490643115 Energy: 11.545687972891836 Energy: 4.253305496471278 Energy: 11.545687972890661 Energy: 11.63332821017458 Energy: 4.251527767247897 Energy: 4.251112587041645 Energy: 4.251527767247897 Energy: 7.756485157870504 Energy: 4.376401434819639 Energy: 7.924027486759736 Energy: 4.376401434818466 Energy: 0.746951696245274