Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Al__MO_060567868558_000 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=4.050199627876282 cohesive_energy=3.5802838199389533 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=[2.12357297600262e-19, 2.8429823282013e-19, 3.31371784503684e-19, 3.6913028123716197e-19, 4.0317012600312595e-19, 4.3350093186138e-19, 4.590892948829939e-19, 4.799672586006479e-19, 4.96903867798662e-19, 5.107226412669119e-19, 5.220820736019719e-19, 5.31483646090284e-19, 5.393070745941059e-19, 5.458631813804339e-19, 5.51401906004172e-19, 5.56126724897838e-19, 5.60186640488394e-19, 5.636809877271479e-19, 5.66661036266388e-19, 5.69129990459382e-19, 5.71073430716424e-19, 5.724689265646379e-19, 5.73302058414318e-19, 5.735792349719999e-19, 5.7328763882461195e-19, 5.72364785083428e-19, 5.7076741497933e-19, 5.68489119805782e-19, 5.65142172817356e-19, 5.603084059125779e-19, 5.5382439707478e-19, 5.455203155807579e-19, 5.352135132942359e-19, 5.226828898397219e-19, 5.07651268659534e-19, 4.89726116478342e-19, 4.6834026276771e-19, 4.426477582648859e-19, 4.11427744374762e-19, 3.73031581340952e-19, 3.2537323518598797e-19, 2.6584916887962e-19, 1.9120696385482797e-19, 9.712603038270419e-20, -2.2567458978207e-20, -1.76742513203076e-19, -3.7763944134033597e-19, -6.432739185509999e-19, -1.0025363938993559e-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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.013471870332873878 Energy: 0.16194431582979296 Energy: 0.1626512043623502 Energy: 0.2581381852965826 Energy: 0.2584950413399888 Energy: 0.10232454351440237 Energy: 0.01447851706147277 Energy: 0.06109488270433683 Energy: 0.2590780049126117 Energy: 0.0783421228300245 Energy: 0.16191582076667016 Energy: 0.2064996433905229 Energy: 0.014604697892169885 Energy: 0.061194312365342875 Energy: 0.014314589700702228 Energy: 0.25741698946520447 Energy: 0.194366274045715 Energy: 0.16216205120090973 Energy: 0.23179461730206832 Energy: 0.0609927071383623 Energy: 0.06233896674827383 Energy: 0.01562841397849219 Energy: 0.20740867275450967 Energy: 0.17575086246419505 Energy: 0.2581267686292757 Energy: 0.2594234724061806 Energy: 0.06120919048601293 Energy: 0.014358217167670046 Energy: 0.10244563434834134 Energy: 0.2595236632936664 Energy: 0.07815346058408598 Energy: 0.1621807090735611 Energy: 0.2071885334646543 Energy: 0.014696972979471225 Energy: 0.06114753773124582 Energy: 0.014381551910000139 Energy: 0.23263642853240463 Energy: 0.1762516449032769 Energy: 0.1862780570306769 Energy: 0.23208956507562362 Energy: 0.06090299094259295 Energy: 0.06187678669701758 minimum gb energy = 0.013471870332873878 eV minimum distance = 2.83720345901767 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.40341667121724883 Energy: 0.4134155141491636 Energy: 0.38592177197100447 Energy: 0.34245171019754533 Energy: 0.3871778784377845 Energy: 0.390135326225156 Energy: 0.3578690415261569 Energy: 0.32439732002833577 Energy: 0.3528188441955464 Energy: 0.33106638657281 Energy: 0.3659540411085752 Energy: 0.3337765462467676 Energy: 0.3328144760057681 Energy: 0.3599064404982 Energy: 0.4485901606238289 Energy: 0.3915661749899786 Energy: 0.38952118346198084 Energy: 0.38108004885288227 Energy: 0.36427511424916875 Energy: 0.3933950365160412 Energy: 0.390650122681416 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======================================== theta = 46.82644889274107 ======================================== Energy: 0.41230444406266975 Energy: 0.38206795793934556 Energy: 0.3902789747648649 Energy: 0.46196124177710807 Energy: 0.3187596727255434 Energy: 0.3196962076480394 Energy: 0.3063209765943425 Energy: 0.32395457599980093 Energy: 0.32994615625346657 Energy: 0.3761914270628155 Energy: 0.38310186565241056 Energy: 0.3104434095055802 Energy: 0.3636951091595068 Energy: 0.3990151422066457 Energy: 0.318175651649279 Energy: 0.3451918015554671 Energy: 0.3436413799591716 Energy: 0.34363972705166007 Energy: 0.31904357274895095 Energy: 0.327550461373043 Energy: 0.34692775329331554 Energy: 0.3707148428743544 Energy: 0.33809513975836397 Energy: 0.34258792764210916 Energy: 0.34464280735505676 Energy: 0.3341095295415467 Energy: 0.32282793866642423 Energy: 0.3412159502931391 Energy: 0.31864441389561565 Energy: 0.31476106825244676 Energy: 0.3384853736123147 Energy: 0.3321439146013643 Energy: 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0.3427878078263273 Energy: 0.33557757425899826 Energy: 0.40399603460522476 Energy: 0.4075903551467658 Energy: 0.37731068924625655 Energy: 0.3466507558534994 Energy: 0.3289253040408843 Energy: 0.32479822055544294 Energy: 0.33253395187457346 Energy: 0.35235426228511124 Energy: 0.3360263515962678 Energy: 0.32422440252179624 Energy: 0.32924091171634934 Energy: 0.3190583877631192 Energy: 0.3382220581409203 Energy: 0.3416195694785074 Energy: 0.3477588339634149 Energy: 0.33707904135721234 Energy: 0.340937472142614 Energy: 0.3206523261486178 Energy: 0.31827477990162467 Energy: 0.32513160031746885 Energy: 0.34066647138985523 Energy: 0.3546214593158724 Energy: 0.3408731011088572 Energy: 0.40620375478366166 Energy: 0.4082273291354811 Energy: 0.30561087070881593 Energy: 0.3722694878590119 Energy: 0.36788265239353385 Energy: 0.35364509648263637 Energy: 0.33366867593937466 Energy: 0.3636208759294373 Energy: 0.3210282172082094 minimum gb energy = 0.30561087070881593 eV minimum distance = 2.55770590016529 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.4198592185640673 Energy: 0.45706658847759624 Energy: 0.3636257989400176 Energy: 0.4287548226372416 Energy: 0.4184342903656224 Energy: 0.39336578317936366 Energy: 0.4705863150717108 Energy: 0.38897443912489277 Energy: 0.37533619290776465 Energy: 0.39860778600759705 Energy: 0.36264781603482477 Energy: 0.36545701591486696 Energy: 0.3481006157083372 Energy: 0.4063340337536057 Energy: 0.41568409299878956 Energy: 0.39408275151002525 Energy: 0.386452055126507 Energy: 0.3523468749353539 Energy: 0.36102340418486567 Energy: 0.38626571815003435 Energy: 0.3536766677059688 Energy: 0.3591597164734514 Energy: 0.42147356218011683 Energy: 0.34053056478164795 Energy: 0.42899608285725965 Energy: 0.4208482890186318 Energy: 0.4034073114245527 Energy: 0.43201985146149324 Energy: 0.3510691784576564 Energy: 0.3525191558849167 Energy: 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0.35853021552973313 Energy: 0.3806497812521566 Energy: 0.4084962703053054 Energy: 0.37299484093253915 Energy: 0.38225373164957455 Energy: 0.3811301760912555 Energy: 0.39470321599980035 Energy: 0.4203928672188875 Energy: 0.4077040976022043 Energy: 0.4176305187342512 Energy: 0.4123318707105475 Energy: 0.39966787234239914 Energy: 0.3671712978280725 Energy: 0.3492317416129281 Energy: 0.4079038396525255 Energy: 0.4171759545200923 Energy: 0.35250525255661325 Energy: 0.321046260425321 Energy: 0.3378082274939372 Energy: 0.3704428837811046 Energy: 0.40447774702538575 Energy: 0.38840343832767243 Energy: 0.35359528009911334 Energy: 0.40164918845009007 Energy: 0.35672533242405513 Energy: 0.35893859641236997 Energy: 0.41797220933812207 Energy: 0.40928175169775943 Energy: 0.3730070242727623 Energy: 0.4208114802973933 Energy: 0.425146679693403 Energy: 0.39329735642880614 Energy: 0.400809310629239 minimum gb energy = 0.31542137172947804 eV minimum distance = 2.5094636445772 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.390026718942994 Energy: 0.4991179115907354 Energy: 0.3839290304454845 Energy: 0.38490390276751346 Energy: 0.38386345706311376 Energy: 0.38288434797911347 Energy: 0.3974586437425624 Energy: 0.37189445867815873 Energy: 0.48214806312043146 Energy: 0.3693859179546597 Energy: 0.3678007080805276 Energy: 0.3716507121648378 Energy: 0.37068664081659985 Energy: 0.4819395713937097 Energy: 0.37018418745503673 Energy: 0.5060807833205798 Energy: 0.37033203349495136 Energy: 0.3707203056507373 Energy: 0.3709240179554592 Energy: 0.37096975007718974 Energy: 0.3893235526966923 Energy: 0.3708542219044875 Energy: 0.5063219118080042 Energy: 0.36992542172281667 Energy: 0.37329180694380454 Energy: 0.37237395914203486 Energy: 0.3709507536166035 Energy: 0.3960478739967513 Energy: 0.3660253155658917 Energy: 0.4819121342939821 Energy: 0.36311530457124364 Energy: 0.48335333234566463 Energy: 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0.36311530457124364 eV minimum distance = 2.51437430016028 Angstroms sigma value = 23