Model name: model_name=EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.045259781181812 cohesive_energy=3.410925190644327 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.2851044242424998e-19, 2.93496328875924e-19, 3.3659488033052395e-19, 3.70210148288478e-19, 3.9732698781892794e-19, 4.1837798661305396e-19, 4.35067860609432e-19, 4.48878623194512e-19, 4.60670643220752e-19, 4.711600936435499e-19, 4.80906134108172e-19, 4.902932870067779e-19, 4.994705547663299e-19, 5.08244074014114e-19, 5.16319044249474e-19, 5.2347436509691795e-19, 5.295866689556279e-19, 5.34623912292924e-19, 5.38621342994754e-19, 5.4166387642272e-19, 5.43860460587934e-19, 5.45329656561312e-19, 5.46172401470796e-19, 5.46447975851844e-19, 5.461403579381159e-19, 5.45103749655918e-19, 5.43109039746588e-19, 5.3983739505996e-19, 5.348866692608999e-19, 5.27926813962804e-19, 5.19007496641326e-19, 5.088512989584e-19, 4.98888964648188e-19, 4.89602748877524e-19, 4.71759307704666e-19, 3.9299790655386e-19, 4.464048624716159e-20, -1.300267275618942e-18, -6.01386612631704e-18, -2.1597661461646797e-17, -7.15343027901588e-17, -2.29779366318378e-16, -7.338738028504319e-16, -2.37200648487066e-15, -7.88097868851528e-15, -2.73454701361218e-14, -1.00828179930888e-13, -4.03400839438422e-13, -1.79889188112252e-12, -9.27041830905276e-12, -5.8080184723807196e-11, -4.771842777873899e-10, -5.8266838301668195e-09, -1.322801889976152e-07] 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: 0.012865973635202215 Energy: 0.28063634381151376 Energy: 0.621160652670619 Energy: 0.47797520439451774 Energy: 0.4796879967581161 Energy: 0.2058386340125692 Energy: 0.01385486778378407 Energy: 0.06541782080405044 Energy: 0.4781872681645141 Energy: 0.24385096126918232 Energy: 0.4129440494513016 Energy: 0.3691704773009547 Energy: 0.013642998491329284 Energy: 0.06548642144431559 Energy: 0.013164937525005983 Energy: 0.47760924243796804 Energy: 0.49090763409993593 Energy: 0.4118392816527931 Energy: 0.3676564714566312 Energy: 0.06534034630748316 Energy: 0.06676495368393497 Energy: 0.014575207888672793 Energy: 0.28102358446601355 Energy: 0.41180693129227436 Energy: 0.4779766600397496 Energy: 0.4802098095849623 Energy: 0.06534142160775837 Energy: 0.013740998745056349 Energy: 0.20594809495929017 Energy: 0.47954777257006886 Energy: 0.24383345823484226 Energy: 0.27977509491109304 Energy: 0.27973787088807217 Energy: 0.01364792384746757 Energy: 0.06550776220972812 Energy: 0.013260701058104467 Energy: 0.36831254681160874 Energy: 0.4114646078721784 Energy: 0.412364885580172 Energy: 0.36757377135624836 Energy: 0.06532278613508795 Energy: 0.0664507188648317 minimum gb energy = 0.012865973635202215 eV minimum distance = 2.83623859305683 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.6449476404873323 Energy: 0.7757613158671406 Energy: 0.6415488609176385 Energy: 0.7175765503624402 Energy: 0.699303970378136 Energy: 0.6861584157329166 Energy: 0.7461807404986058 Energy: 0.5870682040188188 Energy: 0.6550791463020432 Energy: 0.5834822228805089 Energy: 0.5745300360707561 Energy: 0.5992042580182954 Energy: 0.5950820281545873 Energy: 0.6407993689115448 Energy: 0.699920703334013 Energy: 0.6807297204785039 Energy: 0.681322258154811 Energy: 0.7067051666330256 Energy: 0.6955881805057252 Energy: 0.6967356919024741 Energy: 0.7094194016101539 Energy: 0.5653898552626492 Energy: 0.6839004617977804 Energy: 0.5889534662172987 Energy: 0.673686454525437 Energy: 0.6746293343850474 Energy: 0.6272619772002599 Energy: 0.7080204209993957 Energy: 0.6618175988113931 Energy: 0.6717333473638976 Energy: 0.6409890453680214 Energy: 0.6087473771901056 Energy: 0.6397499817108133 Energy: 0.6477018189704051 Energy: 0.7135806827282639 Energy: 0.6058420540052059 Energy: 0.6812907886204581 Energy: 0.596217589170657 Energy: 0.5983637943530249 Energy: 0.5795993203058595 Energy: 0.5666828901289094 Energy: 0.6393408708350715 Energy: 0.5789055263745957 Energy: 0.6927171652025265 Energy: 0.6598940894397907 Energy: 0.6875811065028852 Energy: 0.6698644795232457 Energy: 0.6446643422674622 Energy: 0.7097156878536709 Energy: 0.5896159082849701 Energy: 0.6882472732816769 Energy: 0.6481508316421428 Energy: 0.679100550405756 Energy: 0.6664261738497677 Energy: 0.6500548522502855 Energy: 0.7148026492972037 Energy: 0.6366336178739882 Energy: 0.6679524416379348 Energy: 0.6484946799374225 Energy: 0.6350917789382422 Energy: 0.6290227241964904 Energy: 0.648510485064878 Energy: 0.6035418830063951 Energy: 0.623253509846122 Energy: 0.6526647604088095 Energy: 0.6451552242911853 Energy: 0.669302230323434 Energy: 0.6235993028810259 Energy: 0.611579141174307 Energy: 0.6603508065861085 Energy: 0.5987108989662493 Energy: 0.6773516011900024 Energy: 0.6162042407816837 Energy: 0.7092329068325276 Energy: 0.6463959735689107 Energy: 0.5916764411906541 Energy: 0.6564360039545487 Energy: 0.6461984570267809 Energy: 0.6715227150767134 Energy: 0.6528248704133265 Energy: 0.6730980110101903 Energy: 0.6775664825613139 Energy: 0.6296578592440792 Energy: 0.648463639112352 Energy: 0.6026807993399306 Energy: 0.6837688991778006 Energy: 0.6135060465083854 Energy: 0.657458262120942 Energy: 0.6528972596906581 Energy: 0.6264761524409369 Energy: 0.6645472369582333 Energy: 0.6293264155202789 Energy: 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0.6526500230110207 Energy: 0.6743617038720467 Energy: 0.5421846629129277 Energy: 0.5744179535985308 Energy: 0.6642972589152205 Energy: 0.6037294664489784 Energy: 0.5795131201527954 Energy: 0.6469534430729676 Energy: 0.7520943540324012 minimum gb energy = 0.5420589926655562 eV minimum distance = 2.45995139319374 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.6794398164528648 Energy: 0.8085234079159009 Energy: 0.730501070475212 Energy: 0.7589386921391973 Energy: 0.7126821233991713 Energy: 0.7159831689673276 Energy: 0.7964237524867557 Energy: 0.7517827861569809 Energy: 0.7472384472442808 Energy: 0.7464130603666789 Energy: 0.7634700209977651 Energy: 0.7528856320824057 Energy: 0.7428531627260448 Energy: 0.7951247706743199 Energy: 0.7291329920162404 Energy: 0.7491032630424916 Energy: 0.680676084623687 Energy: 0.7249918729450442 Energy: 0.7435596410626188 Energy: 0.7018084899627972 Energy: 0.7637141328493341 Energy: 0.6600558138362319 Energy: 0.7941957666601254 Energy: 0.698386876524359 Energy: 0.7456773094502103 Energy: 0.7340795563052701 Energy: 0.6898435652796031 Energy: 0.7905563874211826 Energy: 0.6762852533927294 Energy: 0.7309250552942074 Energy: 0.7190084003497689 Energy: 0.7182634086690519 Energy: 0.7060794905000111 Energy: 0.7295224601726189 Energy: 0.7152924838578644 Energy: 0.6299253684882976 Energy: 0.6885667816900612 Energy: 0.7000044536711272 Energy: 0.7009270929292314 Energy: 0.6501918792504322 Energy: 0.6477430039722295 Energy: 0.6818719218403582 Energy: 0.6837660451480545 Energy: 0.6955519517106588 Energy: 0.6950977881040662 Energy: 0.6833852129039439 Energy: 0.6924663238136269 Energy: 0.6850442030167306 Energy: 0.7403013016225561 Energy: 0.6531381446094003 Energy: 0.6480023104818325 Energy: 0.7084008584720783 Energy: 0.7264753980769761 Energy: 0.7132660396280391 Energy: 0.6311350264582809 Energy: 0.6611808404793771 Energy: 0.6459319001111558 Energy: 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0.769557795579718 Energy: 0.7678810240036527 Energy: 0.664473771654898 Energy: 0.6774283994980868 Energy: 0.7067968062940294 Energy: 0.7326652980280821 Energy: 0.7192703698500358 Energy: 0.7284151384426487 Energy: 0.7177982723770862 Energy: 0.7378283736942335 Energy: 0.7416949163215009 Energy: 0.6706127352745177 Energy: 0.7321608051042571 Energy: 0.7134387992540591 Energy: 0.6768107429396716 Energy: 0.7142123362490285 Energy: 0.7495917459673017 Energy: 0.755884022534678 Energy: 0.6779789113648139 Energy: 0.7906731405537677 Energy: 0.7329151434530865 Energy: 0.6909633575605505 Energy: 0.7543583076032935 Energy: 0.6800512839265876 Energy: 0.7882998959177399 Energy: 0.7245752989047873 Energy: 0.7351415139448446 Energy: 0.728904438969436 Energy: 0.7357151651195816 Energy: 0.7154324408016455 Energy: 0.7547959582717538 Energy: 0.773897994934612 Energy: 0.7314867923399615 Energy: 0.77394588934812 Energy: 0.7749511150778717 Energy: 0.7449701352142909 Energy: 0.7744986170331214 Energy: 0.6768304505501095 Energy: 0.7588662993617771 Energy: 0.6813613875996511 Energy: 0.7238889931398631 Energy: 0.695751439338935 Energy: 0.6922386611419654 Energy: 0.7260456661181016 Energy: 0.6807760073355509 Energy: 0.7544207849406775 Energy: 0.7092437508766888 Energy: 0.7276252947298094 Energy: 0.7374313648591627 Energy: 0.6946683792864623 Energy: 0.7300839071649329 Energy: 0.6691343325824871 Energy: 0.7355996716823604 Energy: 0.7200666908816353 Energy: 0.731313203134865 Energy: 0.7144561582123473 Energy: 0.7211487151587405 Energy: 0.7169469217945044 Energy: 0.6296796422352808 Energy: 0.7060053105782508 Energy: 0.663177231542348 Energy: 0.7032914729083635 Energy: 0.6720431953457745 Energy: 0.6575884132634565 Energy: 0.6903846455710478 Energy: 0.7041990104295357 Energy: 0.7018264438166648 Energy: 0.7039403410714482 Energy: 0.6969294988415711 Energy: 0.694567514132587 Energy: 0.6927320883240071 Energy: 0.7292350212230923 Energy: 0.696901052767118 Energy: 0.6444612113899473 Energy: 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0.7038823972509405 Energy: 0.6517475236577996 Energy: 0.6540502162955958 Energy: 0.7041326886911661 Energy: 0.6976939905337382 Energy: 0.7180190503860141 Energy: 0.6789242293663613 Energy: 0.6648706816007041 Energy: 0.673882572550418 Energy: 0.7202757538461779 Energy: 0.6203289189111214 Energy: 0.701844984305239 Energy: 0.7048725690001394 Energy: 0.6710038391807834 Energy: 0.6635769477615464 Energy: 0.6674307847814932 Energy: 0.7039956958228293 Energy: 0.6793122226021803 Energy: 0.6961722674187532 Energy: 0.7017228632626816 Energy: 0.7157633018660849 Energy: 0.6966724363554917 Energy: 0.6917827052334606 Energy: 0.68780640548664 Energy: 0.6692759331459829 Energy: 0.7154998443366837 Energy: 0.6830864981895542 Energy: 0.7273329121078959 Energy: 0.6931200411568981 Energy: 0.6846688641206435 Energy: 0.7654905697117836 Energy: 0.6634389398983325 Energy: 0.7286419375370192 Energy: 0.6665975630238529 Energy: 0.7032485434946429 Energy: 0.7344138566055185 Energy: 0.6935389765341125 Energy: 0.6940965738298613 Energy: 0.7389368322688897 Energy: 0.7454329448559692 Energy: 0.7423808923850722 Energy: 0.74227635792882 Energy: 0.7625044270293221 Energy: 0.750249964396935 Energy: 0.7637248591526697 Energy: 0.6890144718815288 Energy: 0.7561757527683458 Energy: 0.704003961749042 Energy: 0.7639660993861632 Energy: 0.7144174333081444 Energy: 0.7338070142583535 Energy: 0.7553378302297199 Energy: 0.7551229925023801 Energy: 0.75864656018328 Energy: 0.6986061037366031 Energy: 0.7823613134981942 Energy: 0.72294732649059 Energy: 0.6910155296992038 Energy: 0.7965902448422297 Energy: 0.7640014850872132 Energy: 0.7289501914117807 Energy: 0.6781251102330913 Energy: 0.7761912346486398 Energy: 0.7236614693693186 Energy: 0.6745130801490069 Energy: 0.7806848115424011 Energy: 0.6890637724974318 Energy: 0.6847144080574331 Energy: 0.7136965094882589 Energy: 0.7472711666842373 Energy: 0.7126807175939959 Energy: 0.7175965276480365 Energy: 0.6930636991933024 minimum gb energy = 0.6203289189111214 eV minimum distance = 2.39560081098931 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.6120268507525622 Energy: 0.7113180156602231 Energy: 0.6154024617997218 Energy: 0.6083073809684195 Energy: 0.6072523681056081 Energy: 0.6172448879074836 Energy: 0.6086146476792763 Energy: 0.6089319831214268 Energy: 0.7029606680319124 Energy: 0.6069998495263663 Energy: 0.6087684661807072 Energy: 0.6083008724400609 Energy: 0.6071128682503997 Energy: 0.7029457766217542 Energy: 0.6076362528118946 Energy: 0.7032529425702654 Energy: 0.6088028804338136 Energy: 0.6094589568043505 Energy: 0.6085596154685045 Energy: 0.609631235135445 Energy: 0.6079780230982905 Energy: 0.6086425383381295 Energy: 0.7042013871989247 Energy: 0.6096365449782368 Energy: 0.6124404053286123 Energy: 0.6083921729016369 Energy: 0.6106330814004287 Energy: 0.6081850936089497 Energy: 0.6253101574043639 Energy: 0.7030722897810984 Energy: 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0.7247989792498851 Energy: 0.6185758701316757 Energy: 0.7105388857774326 Energy: 0.6088490726147909 Energy: 0.7045293388621837 Energy: 0.6104572004829384 Energy: 0.6069551730025778 Energy: 0.6080976014492963 Energy: 0.6112526038204262 Energy: 0.6080929094182133 Energy: 0.608139884394083 Energy: 0.70271956207211 Energy: 0.6092201478139194 Energy: 0.6087349934800271 Energy: 0.6088124672933638 Energy: 0.6101022823235059 Energy: 0.712863350825976 Energy: 0.6087998024228284 Energy: 0.7032941730151936 Energy: 0.6072058660590487 Energy: 0.6090265901858518 Energy: 0.6087371128545639 Energy: 0.6073986050360709 Energy: 0.7026534971593043 Energy: 0.6120260007760305 Energy: 0.7024161053443061 Energy: 0.6142474327107827 Energy: 0.608128207273578 Energy: 0.6076342295750342 Energy: 0.613628467229041 Energy: 0.6087933734696896 Energy: 0.6253266756147303 Energy: 0.7028625748076106 Energy: 0.6182272390949541 Energy: 0.6507639937692072 Energy: 0.6081642450932131 Energy: 0.6074287326192607 Energy: 0.7113260752253527 Energy: 0.6084602241151316 Energy: 0.7035685576020244 Energy: 0.6092737705962628 Energy: 0.6095628775063874 Energy: 0.6085294583078856 Energy: 0.6105293063105883 Energy: 0.6077609046881274 Energy: 0.6079070161238643 Energy: 0.703539876823617 Energy: 0.6093407340895416 Energy: 0.6094006807484295 Energy: 0.6087777606394561 Energy: 0.6098751339176475 Energy: 0.6082718603879624 Energy: 0.6253577481928879 Energy: 0.7024106282988971 Energy: 0.6100192066311997 Energy: 0.6088532942602183 Energy: 0.6085417405275195 Energy: 0.6072273967383001 Energy: 0.7139734564984557 Energy: 0.6120043817072348 Energy: 0.7031637213757114 Energy: 0.6154516485141163 Energy: 0.60840664450206 Energy: 0.6073387361356607 Energy: 0.6160593816453516 Energy: 0.6086293027598014 Energy: 0.6081027772628675 Energy: 0.7034299970440488 Energy: 0.6068208537050347 Energy: 0.6086912010413648 Energy: 0.6084294784531015 Energy: 0.6072080586977852 Energy: 0.703271257935255 minimum gb energy = 0.6068208537050347 eV minimum distance = 2.54962334678499 Angstroms sigma value = 23