Model name: model_name=EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.050000011920929 cohesive_energy=3.3541843831092124 mass=26.981538 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=[1.7750354710422598e-19, 2.4212734163661596e-19, 2.8961105053847395e-19, 3.27399988627998e-19, 3.58636024284462e-19, 3.85036690859514e-19, 4.0767064016803197e-19, 4.27254045165414e-19, 4.4429960237454e-19, 4.591870276576679e-19, 4.72206314985552e-19, 4.83588177793488e-19, 4.9351846857102e-19, 5.0214618974511e-19, 5.09601117623112e-19, 5.15987393686236e-19, 5.2139634200262e-19, 5.2590646922733e-19, 5.29585066778994e-19, 5.3249141519307e-19, 5.34676784121846e-19, 5.361908410409759e-19, 5.37072038189676e-19, 5.37357225630528e-19, 5.37051209893434e-19, 5.3606426908689e-19, 5.342810464932479e-19, 5.3156215274535e-19, 5.27745768003162e-19, 5.226364267173359e-19, 5.15998608922674e-19, 5.075519337082259e-19, 4.96951933097682e-19, 4.83783643342836e-19, 4.67529561390906e-19, 4.475568274714619e-19, 4.2306915979740597e-19, 3.9306840232575593e-19, 3.5628082463248202e-19, 3.11072206550904e-19, 2.5530684662789996e-19, 1.8617292487079999e-19, 9.989603356522679e-20, -8.674536775335479e-21, -1.4671371764033098e-19, -3.2444237056163397e-19, -5.56839693499968e-19, -8.665468455587039e-19, -1.2891417610724459e-18, -1.88323045913628e-18, -2.7511936288394402e-18, -4.08585483026046e-18, -6.290866444569299e-18] 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: -0.00607941459516994 eV ======================================== theta = 0.0 ======================================== Energy: 0.011660026426740725 Energy: 0.06353265679535383 Energy: 0.06260951166872626 Energy: 0.06271224721684637 Energy: 0.012211350255382343 Energy: 0.01255206551614871 Energy: 0.0628377455702226 Energy: 0.06256339404978116 Energy: 0.06286298336904979 Energy: 0.012106155778119692 Energy: 0.06289737170364786 Energy: 0.0626076390106347 Energy: 0.0634212269247121 Energy: 0.0625136861905901 Energy: 0.06278739921307723 Energy: 0.06270516326214683 Energy: 0.06269104142324466 Energy: 0.06357933288951846 Energy: 0.06256100344186159 Energy: 0.06287953950345958 Energy: 0.06255969107661195 Energy: 0.012037252777374729 Energy: 0.011967461981567465 Energy: 0.06280616674885237 Energy: 0.06250651092140268 Energy: 0.0630428811544596 Energy: 0.012009560581486273 Energy: 0.01206189092638951 Energy: 0.06272380850577539 Energy: 0.0625075380515142 Energy: 0.06251947156976426 Energy: 0.012076079436931278 Energy: 0.012074299322734771 Energy: 0.06256583767082792 Energy: 0.06271213471530403 Energy: 0.06264937534798976 Energy: 0.012029092313634273 Energy: 0.012073232127716311 Energy: 0.06246266247583175 Energy: 0.06257981648177406 Energy: 0.062489992544974934 Energy: 0.06275437300482922 Energy: 0.0627648181952405 Energy: 0.011988423094161985 Energy: 0.011994088184230759 Energy: 0.0624666880127316 Energy: 0.06288567729360714 Energy: 0.062793753523426 Energy: 0.012013491649737239 Energy: 0.06253438816943183 Energy: 0.0626484754277583 Energy: 0.06253996870690938 Energy: 0.06290144640649675 Energy: 0.011957523966121332 Energy: 0.012130956654868519 Energy: 0.06259787815266099 Energy: 0.062397240381771454 Energy: 0.06286682406906643 Energy: 0.011980959710819736 Energy: 0.012194318257493213 Energy: 0.012325854444793784 Energy: 0.06258800817989082 Energy: 0.06254024234528524 Energy: 0.06454239985998061 Energy: 0.0627225650258574 Energy: 0.012255514906840074 Energy: 0.06264980099564245 Energy: 0.06250151926578469 Energy: 0.06303080935909963 Energy: 0.06275974954787247 minimum gb energy = 0.011660026426740725 eV minimum distance = 2.82830485918317 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.647385384120274 Energy: 0.5519211902458023 Energy: 0.5350084060367835 Energy: 0.550521696800002 Energy: 0.5757058758525223 Energy: 0.5687795959321212 Energy: 0.5775710342690055 Energy: 0.5356838796793982 Energy: 0.5503294783283171 Energy: 0.5446498762133734 Energy: 0.5239342120247681 Energy: 0.5646060051152197 Energy: 0.5465928515125217 Energy: 0.5520506665939454 Energy: 0.40898341807805355 Energy: 0.41639744369780846 Energy: 0.549770195914489 Energy: 0.5481905078217932 Energy: 0.5547081046429321 Energy: 0.5114689084763204 Energy: 0.515009311346998 Energy: 0.5893806242822898 Energy: 0.46318224471654085 Energy: 0.51218846764735 Energy: 0.5122069496655492 Energy: 0.40904426941977945 Energy: 0.6446437599013931 Energy: 0.5430102203055666 Energy: 0.5031072219818089 Energy: 0.5041571107114587 Energy: 0.5098054546727618 Energy: 0.5451173216590779 Energy: 0.6342591400187958 Energy: 0.4085758511429538 Energy: 0.5133133738907292 Energy: 0.4694318093348874 Energy: 0.5524643104899782 Energy: 0.6346248267210862 Energy: 0.517007191300354 Energy: 0.5080855629928539 Energy: 0.620998818086947 Energy: 0.5327017694559486 Energy: 0.5901385664130903 Energy: 0.6120741376003582 Energy: 0.46493484263796175 Energy: 0.5990976742673705 Energy: 0.5319989302169816 Energy: 0.586104641373686 Energy: 0.59703475387528 Energy: 0.5421462210477781 Energy: 0.5833553361735915 Energy: 0.6471819262125342 Energy: 0.5409421883611194 Energy: 0.46538416444059055 Energy: 0.6072855673046267 Energy: 0.5830519317696939 Energy: 0.6377420352078573 Energy: 0.5488222317868979 Energy: 0.46328492325379017 Energy: 0.6041563456253226 Energy: 0.5377093136786225 Energy: 0.5845845421895668 Energy: 0.5856171332316056 Energy: 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0.5340297104762537 Energy: 0.5432767763318366 Energy: 0.6664569482031399 Energy: 0.5379265026944797 Energy: 0.555036833365689 Energy: 0.5180076323282216 Energy: 0.5643897782762418 Energy: 0.5412608644265818 Energy: 0.5812385032508559 Energy: 0.538304534696338 Energy: 0.5183302244771636 Energy: 0.5030172174905166 Energy: 0.5548841346940329 Energy: 0.588343138525709 Energy: 0.5888886685478232 Energy: 0.5518930851458167 Energy: 0.5434842564881747 Energy: 0.60270826448722 Energy: 0.5983864766722634 Energy: 0.563176239615647 Energy: 0.5346554880148782 Energy: 0.5449193384967833 Energy: 0.5955766336062538 Energy: 0.5967242154817604 Energy: 0.5841260991884273 Energy: 0.5444153224629046 Energy: 0.6043849818581659 Energy: 0.5942633431852883 Energy: 0.542714830907225 Energy: 0.6474183253998501 Energy: 0.5448941838886441 Energy: 0.5875060110251374 Energy: 0.5066859212703994 Energy: 0.5414734152396561 minimum gb energy = 0.4876844442185577 eV minimum distance = 2.54409666990683 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.4587884147229201 Energy: 0.5726410193449215 Energy: 0.5187335746692446 Energy: 0.5729342460018226 Energy: 0.45931921884732346 Energy: 0.4594238082551272 Energy: 0.5727922302113775 Energy: 0.5181424900239693 Energy: 0.5728797893920483 Energy: 0.4593369769098582 Energy: 0.586965945862285 Energy: 0.5474963143486661 Energy: 0.5472812718867927 Energy: 0.5482256362202416 Energy: 0.6365717956298705 Energy: 0.587045087170801 Energy: 0.5473290991491014 Energy: 0.4596355128992495 Energy: 0.547818307945102 Energy: 0.6365664381502868 Energy: 0.5728467685287393 Energy: 0.5477311891922915 Energy: 0.5472505170905574 Energy: 0.46728881139128214 Energy: 0.5871413737298788 Energy: 0.5729764594974116 Energy: 0.5473423105644231 Energy: 0.5474667848538035 Energy: 0.5185725516000161 Energy: 0.5183596352964615 Energy: 0.5182179299863604 Energy: 0.4593864358724416 Energy: 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Energy: 0.46749041420998816 Energy: 0.5728564945525666 Energy: 0.5888993252800905 Energy: 0.46720436661441167 Energy: 0.4589454625162721 Energy: 0.459400253189018 Energy: 0.5727980451182282 Energy: 0.5876383469215803 Energy: 0.46716597769466695 Energy: 0.45898734522637546 Energy: 0.45904160445861314 Energy: 0.4670126734335559 Energy: 0.4590800819158465 Energy: 0.5477112943501881 Energy: 0.45917722196485516 Energy: 0.5876240031805744 Energy: 0.46772445001525026 Energy: 0.6355468433351884 Energy: 0.5477058248474874 Energy: 0.45907765621403757 Energy: 0.5483134067989978 Energy: 0.5494668691502127 Energy: 0.467159468175437 Energy: 0.5880225782214978 Energy: 0.5876873629575966 Energy: 0.572563537907744 Energy: 0.5493150367489565 Energy: 0.4673701012763873 Energy: 0.5871696257726533 Energy: 0.5874885451023074 Energy: 0.5478481531754362 Energy: 0.45932526754980424 Energy: 0.5730768000549208 Energy: 0.5726717962431452 Energy: 0.5475917791152115 Energy: 0.5884122959874679 Energy: 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0.6197032099124931 Energy: 0.51892081419798 Energy: 0.5060769165801274 Energy: 0.501244453949659 Energy: 0.5833754095374027 Energy: 0.5966027378288178 Energy: 0.5849386598116249 Energy: 0.5085718560190897 Energy: 0.5063225987996648 Energy: 0.5869730714642135 Energy: 0.5519948866764236 Energy: 0.6143797770121316 Energy: 0.5262909101711701 Energy: 0.5689233634847779 Energy: 0.571137224270875 Energy: 0.5339363499719025 Energy: 0.5166606564736772 Energy: 0.5540471022935031 Energy: 0.553105504568619 Energy: 0.5993018799357561 Energy: 0.5472895538366569 Energy: 0.5237221486080952 minimum gb energy = 0.49679656754714285 eV minimum distance = 2.49162985826476 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.6624886098394455 Energy: 0.5958345644214205 Energy: 0.5579406453396519 Energy: 0.6180915490872386 Energy: 0.5849550264493566 Energy: 0.6632107742399392 Energy: 0.6011669903771601 Energy: 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Energy: 0.606736692268016 Energy: 0.4915235941489098 Energy: 0.4903460070095853 Energy: 0.4922474111534649 Energy: 0.6135119947995318 Energy: 0.598380182984598 Energy: 0.6028659187636061 Energy: 0.4901302149425187 Energy: 0.49309462421803507 Energy: 0.613485578443659 Energy: 0.599668981621015 Energy: 0.5906914850897707 Energy: 0.5581711366935911 Energy: 0.6015836187614484 Energy: 0.6066949375596875 Energy: 0.49017850807371066 Energy: 0.49885835040358906 Energy: 0.5586710363357547 Energy: 0.6017145163837915 Energy: 0.5719278220731113 Energy: 0.4898631843445631 Energy: 0.4937235787296021 minimum gb energy = 0.4898631843445631 eV minimum distance = 2.5254324539791 Angstroms sigma value = 33