Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987_Au__MO_104891429740_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Au Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.078000083565712 cohesive_energy=3.7893432929779536 mass=196.9665 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=[7.82068878177786e-21, 1.174496409849942e-19, 1.9807068855488397e-19, 2.59502947232346e-19, 3.0889965503519997e-19, 3.500804010589019e-19, 3.85353921833046e-19, 4.1608206749653196e-19, 4.42644553911618e-19, 4.652112118015079e-19, 4.8492279092961e-19, 5.03077054369464e-19, 5.201290202851259e-19, 5.358431687113979e-19, 5.5003364715873595e-19, 5.62609131559002e-19, 5.73537578379516e-19, 5.828302028567159e-19, 5.90520650699916e-19, 5.96664998091306e-19, 6.013225255663439e-19, 6.04563728896926e-19, 6.0645589950168e-19, 6.0707273750577e-19, 6.063549623737379e-19, 6.038091037023119e-19, 5.987606451285779e-19, 5.904197135719739e-19, 5.77852240054878e-19, 5.59959131406366e-19, 5.354362158463619e-19, 5.02897610586456e-19, 4.622407763220719e-19, 4.1427801660664794e-19, 3.6004113319247993e-19, 2.9909112968185198e-19, 2.2933556339076e-19, 1.4811385980078359e-19, 5.206929864602939e-20, -6.351076242475019e-20, -2.0543108801148e-19, -3.8262861937861203e-19, -6.0624761653926e-19, -8.839801295132579e-19, -1.2232794840019739e-18, -1.64450614067028e-18, -2.18451977515998e-18, -2.88901286289612e-18, -3.77854133009292e-18, -4.95059762492928e-18, -6.5994456642776995e-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: 0.01406477495149808 Energy: 0.01535918808931469 Energy: 0.37369976317704917 Energy: 0.6312501605051547 Energy: 0.6348417349235157 Energy: 0.2343097235174133 Energy: 0.016064591702416798 Energy: 0.014745482237188847 Energy: 0.7282189594274409 Energy: 0.17977983864573696 Energy: 0.3738141285577142 Energy: 0.37472439992787504 Energy: 0.01491181701463384 Energy: 0.06650890403758128 Energy: 0.014659221219561395 Energy: 0.498616019913542 Energy: 0.37491351949393525 Energy: 0.37401356499349747 Energy: 0.5003179586041402 Energy: 0.06559484489617405 Energy: 0.06664751848912906 Energy: 0.01569688615972235 Energy: 0.375183252254361 Energy: 0.37371800582504827 Energy: 0.63048788139393 Energy: 0.6313896233464313 Energy: 0.06567274182419498 Energy: 0.01548782208463533 Energy: 0.23178841717942614 Energy: 0.7278497785636662 Energy: 0.17964213782531 Energy: 0.37364977829249785 Energy: 0.3742443832767916 Energy: 0.014837158026580987 Energy: 0.06635066757339755 Energy: 0.014416820751819243 Energy: 0.501182936282451 Energy: 0.3737847115239925 Energy: 0.5311722729776683 Energy: 0.5013193533379049 Energy: 0.06542253125684805 Energy: 0.06627312790990347 minimum gb energy = 0.01406477495149808 eV minimum distance = 2.85929390063296 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.9252364865614198 Energy: 0.9080437270629075 Energy: 0.9246959241822772 Energy: 0.9064908328688536 Energy: 0.9728403731376001 Energy: 0.9729889425967337 Energy: 0.9413695378059932 Energy: 0.8130199834106773 Energy: 0.9250224851889429 Energy: 0.801047178280468 Energy: 0.8825946258572525 Energy: 0.858973592423395 Energy: 0.7953757383048371 Energy: 0.9391082093378113 Energy: 0.9713926025620855 Energy: 0.8594668591169137 Energy: 0.923981159157118 Energy: 0.8183221588135325 Energy: 0.8300696873880989 Energy: 0.9135303523045927 Energy: 0.8613551975415898 Energy: 0.7869835047819688 Energy: 0.9292049717496181 Energy: 0.8228481204242771 Energy: 0.9099558720130747 Energy: 0.8644435635623832 Energy: 0.8071108662730297 Energy: 0.9105428800588636 Energy: 0.9297759070058791 Energy: 0.8644589144428156 Energy: 0.872066709296776 Energy: 0.9110844743968306 Energy: 0.8673327243265673 Energy: 0.9019440397098218 Energy: 0.870724429671187 Energy: 0.8578721754549232 Energy: 0.8971218599923514 Energy: 0.8488086825017345 Energy: 0.8183198037093214 Energy: 0.8208757254649599 Energy: 0.8164892421293015 Energy: 0.8793264164364104 Energy: 0.8396311236442678 Energy: 0.8828866144680673 Energy: 0.9567367940192565 Energy: 0.870813149805255 Energy: 0.8798276767160911 Energy: 0.8875570706150393 Energy: 0.8756373152748446 Energy: 0.8516216280221096 Energy: 0.8964582111782118 Energy: 0.937354118646592 Energy: 0.8876175043102039 Energy: 0.8532770466652465 Energy: 0.8817308411103983 Energy: 0.9535672608776631 Energy: 0.825485481179571 Energy: 0.8865879028461712 Energy: 0.8152967758482667 Energy: 0.8169290634359713 Energy: 0.8579918075904622 Energy: 0.8561707197513095 Energy: 0.9011764944315429 Energy: 0.8771892254834537 Energy: 0.9148843718991783 Energy: 0.8821319946910994 Energy: 0.9058745290216392 Energy: 0.8976097532379502 Energy: 0.8757310821622635 Energy: 0.9062749379379099 Energy: 0.8375370290486571 Energy: 0.9081247139471129 Energy: 0.8563612087498819 Energy: 0.8969445816576441 Energy: 0.9220486958703675 Energy: 0.8212802338157346 Energy: 0.9350415773717832 Energy: 0.9023296157005023 Energy: 0.8134262952825361 Energy: 0.866479284102594 Energy: 0.9032905374016488 Energy: 0.8648148066913058 Energy: 0.8645511522802936 Energy: 0.847346966735103 Energy: 0.8241179179052809 Energy: 0.8905489921090848 Energy: 0.88754178053268 Energy: 0.8445995517184688 Energy: 0.8931817751908683 Energy: 0.8604986977912051 Energy: 0.8799744333982183 Energy: 0.9153559313363637 Energy: 0.8496126784482384 Energy: 0.9247355163184506 Energy: 0.8968361215965831 Energy: 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0.8650930867885116 Energy: 0.9437527993448748 Energy: 0.8883634509756426 Energy: 0.935084687861744 Energy: 0.8722306294179618 Energy: 0.8712296091035889 Energy: 0.9014145314811818 Energy: 0.851197519162361 Energy: 0.7875597471747292 Energy: 0.9508785585301359 Energy: 0.836271710521189 Energy: 0.8754050562853448 Energy: 0.81794492081738 Energy: 0.8527523051428418 Energy: 0.9483552207441747 Energy: 0.9412500813142461 Energy: 0.826925965054446 Energy: 0.9001692393056441 Energy: 0.8567053329612435 Energy: 0.9205118871120547 Energy: 0.8881501720449919 Energy: 0.8426883724566111 Energy: 0.8116527320089376 Energy: 0.9174479191596175 Energy: 0.8182528945157895 Energy: 0.8792445777493881 Energy: 0.8277558651503395 Energy: 0.8132109235030717 Energy: 0.9160419767727311 Energy: 0.8748994794745854 Energy: 0.8991937274870571 Energy: 0.8934207489574458 Energy: 0.9271832487975787 Energy: 0.915236637051665 Energy: 0.8753936165413263 Energy: 0.8223961065389317 Energy: 0.8222451037560412 Energy: 0.8746841682041909 Energy: 0.809148122645905 Energy: 0.8300620549596784 Energy: 0.8566776111142782 Energy: 0.8295154631679291 Energy: 0.8797229398730831 Energy: 0.8501434662739583 Energy: 0.8606780857695958 Energy: 0.929268632768943 Energy: 0.8515652668517325 Energy: 0.8474526767538431 Energy: 0.8667519913562104 Energy: 0.8522854162203992 Energy: 0.786177713781652 Energy: 0.8883181376734358 Energy: 0.8466334836669026 Energy: 0.9133127090886939 Energy: 0.886252033241911 Energy: 0.8391779622540503 Energy: 0.9032057135338168 Energy: 0.864903327417555 Energy: 0.8812366956304898 Energy: 0.8795158633912038 Energy: 0.8140653594227748 Energy: 0.7982179228056459 Energy: 0.9008437654605178 Energy: 0.9196946050064522 Energy: 0.8578123921291999 Energy: 0.9292217308267402 Energy: 0.8664299243855204 Energy: 0.8095343790823225 Energy: 0.7964923886785443 Energy: 0.8160482991068619 Energy: 0.9114449544592874 Energy: 0.7895314914096114 Energy: 0.9024815001542638 Energy: 0.8426619621597276 Energy: 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0.9313862223797421 Energy: 0.8618530919599978 Energy: 0.8411693441662932 Energy: 0.8998081825368056 Energy: 0.8469770695103978 Energy: 0.8595393693168264 Energy: 0.8461272082781598 Energy: 0.8456117388750217 Energy: 0.9273800212608019 Energy: 0.9144430229744722 Energy: 0.8351315487943747 Energy: 0.9124351823213946 Energy: 0.8816395866255561 Energy: 0.8847305125571391 Energy: 0.8970577322774504 Energy: 0.8658564843694228 Energy: 0.8651795941898746 Energy: 0.8946665786890364 Energy: 0.8227243804658455 Energy: 0.8286485711153218 Energy: 0.8627696554444206 Energy: 0.8297689321240185 Energy: 0.8441314513265455 Energy: 0.9002993583777427 Energy: 0.8708689916077206 Energy: 0.9296951942201676 Energy: 0.8862416856581667 Energy: 0.8592612368385892 Energy: 0.8968532916600753 Energy: 0.8491782507864047 Energy: 0.8576219034229522 Energy: 0.9743912076568836 Energy: 0.8523643298732153 Energy: 0.8896276707326062 Energy: 0.8581398299989187 Energy: 0.8918086355851982 Energy: 0.9662846871675211 Energy: 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0.9368431556449729 Energy: 0.9217217781985995 Energy: 0.9006276814085107 Energy: 0.8398532693898452 Energy: 0.8322151131281537 Energy: 0.9506686670527802 minimum gb energy = 0.7887168283757294 eV minimum distance = 2.5698832001111 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.9594026494061199 Energy: 1.0386593502582535 Energy: 1.0049108023092412 Energy: 0.9540907575947722 Energy: 0.9984991038580918 Energy: 0.9804364346077361 Energy: 1.0316719635340215 Energy: 1.0500687304562077 Energy: 1.008910182954092 Energy: 1.0406986116816066 Energy: 1.028982398768615 Energy: 1.0214506739014033 Energy: 1.0337590613284668 Energy: 1.0216499411487034 Energy: 0.954915073555521 Energy: 0.9300855665195 Energy: 0.9406435236252589 Energy: 0.9352234754235482 Energy: 0.8619848528478689 Energy: 0.9541870411499728 Energy: 1.0554912290071012 Energy: 0.9529891578227984 Energy: 0.9702582762318047 Energy: 0.8833312213738514 Energy: 0.9976920810419152 Energy: 0.9873857928821653 Energy: 0.9644327750141298 Energy: 0.9211668961404109 Energy: 0.9275279695793385 Energy: 1.0200795700997844 Energy: 0.9634742666571907 Energy: 0.9573047956304674 Energy: 0.9167851189715325 Energy: 0.9304759699587387 Energy: 0.9447846286218343 Energy: 0.8581757679317189 Energy: 0.8843649612261218 Energy: 0.8628799695716513 Energy: 0.8815709828133973 Energy: 0.8167370953962346 Energy: 0.8320676503795622 Energy: 0.859724514319523 Energy: 0.864581588300026 Energy: 0.8382406033412667 Energy: 0.8740939311430669 Energy: 0.9113149030078919 Energy: 0.9399768522966886 Energy: 0.913028331576422 Energy: 0.8873136246169292 Energy: 1.033158045438005 Energy: 0.828361125423654 Energy: 0.8063108126455216 Energy: 0.8677025579007535 Energy: 0.8734238975866178 Energy: 0.8303639040279235 Energy: 0.824401635224654 Energy: 0.7981345845799519 Energy: 0.8308138959822309 Energy: 0.9640908008250056 Energy: 0.8277192704142378 Energy: 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0.9639440112599887 Energy: 0.946551928480295 Energy: 1.038294090063138 Energy: 0.9774699894300415 Energy: 0.9259497259223465 Energy: 0.9033453065834454 Energy: 1.003257887205348 Energy: 0.9314113127453021 Energy: 0.9550497353535089 Energy: 1.0318822891881831 Energy: 0.9858687407092501 Energy: 0.9351202638736552 Energy: 1.0193070318763147 Energy: 0.9924642079918823 Energy: 1.0071471654970712 Energy: 0.908574035807338 Energy: 1.066955051144003 Energy: 0.985686144232011 Energy: 0.9368507771988086 Energy: 1.017904881170943 Energy: 0.9574064583084763 Energy: 1.0263168716962323 Energy: 1.0016995328126839 Energy: 1.0103855734993274 Energy: 0.9476858415605195 Energy: 0.9772656665297542 Energy: 1.0334832853888896 Energy: 1.0495588134914808 Energy: 1.0135421223169867 Energy: 1.0398589871628936 Energy: 1.0029176157466162 Energy: 0.9586033516064352 Energy: 1.0339982902601006 Energy: 1.11664249063852 Energy: 0.9073350201789622 Energy: 0.9289426692377855 Energy: 0.9647029646979929 Energy: 0.9954721171874195 Energy: 0.9468875913679247 Energy: 0.9529031428240681 Energy: 1.0552922485915799 Energy: 0.9598959429193837 Energy: 0.9695475854826843 Energy: 0.9619207882204642 Energy: 1.0071680067688271 Energy: 0.8324602800076721 Energy: 0.9520559386577602 Energy: 0.9200923483755316 Energy: 0.9487303466638771 Energy: 1.0207145736740326 Energy: 0.9658478639731838 Energy: 0.9454284668783122 Energy: 0.8988585055130071 Energy: 0.9340395434577432 Energy: 0.968776488871103 Energy: 0.858041323088604 Energy: 0.8774411950000532 Energy: 0.9079734988278189 Energy: 0.8832774159491036 Energy: 0.8570403063657142 Energy: 0.8312065875212343 Energy: 0.8578013505298883 Energy: 0.8717548846644257 Energy: 0.9051309176072554 Energy: 0.9601871315239233 Energy: 0.9179531534398463 Energy: 0.9470778562205063 Energy: 0.9164465654325064 Energy: 0.8780532805853469 Energy: 0.9560674697711677 Energy: 0.8281186188598455 Energy: 0.7969920023737594 Energy: 0.8596817486310224 Energy: 0.86738860143508 Energy: 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0.9948168546853464 Energy: 1.0161895659300282 Energy: 0.9630516187779741 Energy: 1.0520901685367774 Energy: 1.0319935557148256 Energy: 0.9643293062588923 Energy: 1.0248903304394261 Energy: 0.9628336764844985 Energy: 1.0073982445516676 Energy: 0.9587496168607965 Energy: 0.9325375651598933 Energy: 1.032962777952317 Energy: 1.0030855896812059 Energy: 0.9192867878673674 Energy: 0.9564694617608841 Energy: 1.0622637806255502 Energy: 0.9847712270137393 Energy: 0.9368564472693628 Energy: 1.1175445630065595 Energy: 1.004631935064302 Energy: 1.001493606440034 Energy: 0.907532593648577 Energy: 1.0461241119943958 Energy: 0.9866409269062876 Energy: 0.936671210396524 Energy: 1.0197173335782976 Energy: 0.9567381803955832 Energy: 0.9362232270291362 Energy: 1.002202049729812 Energy: 0.9906752779458929 Energy: 0.9971250992171581 Energy: 0.9766634830391636 Energy: 1.0287857322995522 minimum gb energy = 0.7860134762721939 eV minimum distance = 2.58098786474714 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.8639452136926776 Energy: 0.7874620755190418 Energy: 0.774884553107343 Energy: 0.7863805154440388 Energy: 0.7862107935861732 Energy: 0.775103337899956 Energy: 0.7864359517310358 Energy: 0.7931275636753035 Energy: 0.9294311983207865 Energy: 0.7881623723335278 Energy: 0.7860120235620767 Energy: 0.7860962386860151 Energy: 0.7870834419983304 Energy: 0.930657231667385 Energy: 0.8447667610368811 Energy: 0.9330063921118281 Energy: 0.7871196564327445 Energy: 0.7862896325904044 Energy: 0.7863442637342875 Energy: 0.787593471293986 Energy: 0.7861139649673583 Energy: 0.8449889372843491 Energy: 0.9433556790002326 Energy: 0.7874745357172717 Energy: 0.7870895932001774 Energy: 0.7863110213686364 Energy: 0.7867984059288916 Energy: 0.7866283255988682 Energy: 0.7927663357511772 Energy: 0.9313241635334106 Energy: 0.8051379751091173 Energy: 0.9335846091398764 Energy: 0.7872172103598548 Energy: 0.7929812015278233 Energy: 0.9335998793171529 Energy: 0.864501229347715 Energy: 0.9422737006751497 Energy: 0.774422160162937 Energy: 0.7862526248778307 Energy: 0.7867308636154782 Energy: 0.7761369537133558 Energy: 0.7865412513839896 Energy: 0.7943060239099211 Energy: 0.9342442031372185 Energy: 0.7881682033990026 Energy: 0.7860931489007533 Energy: 0.7861801748841966 Energy: 0.7874740911683994 Energy: 0.9332358754153698 Energy: 0.7939941707474576 Energy: 0.9336299173130798 Energy: 0.7870108735422673 Energy: 0.7862426035516474 Energy: 0.7862100874100151 Energy: 0.7874886489718963 Energy: 0.9330656027245389 Energy: 0.8658003227447181 Energy: 0.9432119160671782 Energy: 0.7879204413461666 Energy: 0.7865907584083663 Energy: 0.7867834692159664 Energy: 0.7882922716646998 Energy: 0.7866758390442975 Energy: 0.8250880914743841 Energy: 0.9321631675360538 Energy: 0.8051582646211293 Energy: 0.93379430065586 Energy: 0.9343850516806083 Energy: 0.8047923957726707 Energy: 0.9331264654864404 Energy: 0.8446213340090835 Energy: 0.9433384580079277 Energy: 0.7878735117415855 Energy: 0.7866191863871466 Energy: 0.7868933212339317 Energy: 0.7882098611196939 Energy: 0.7868686976565801 Energy: 0.7940201198090181 Energy: 0.9342877463207759 Energy: 0.7880328306689476 Energy: 0.7860488466874089 Energy: 0.7864214095722815 Energy: 0.787377565799098 Energy: 0.9352026807711096 Energy: 0.7940625959916894 Energy: 0.9325258145374894 Energy: 0.787702840555006 Energy: 0.7860883825403638 Energy: 0.7861431447422779 Energy: 0.7876188320815046 Energy: 0.9326572325203795 Energy: 0.8638698718579686 Energy: 0.942318189065879 Energy: 0.7748919840933879 Energy: 0.7863930437092013 Energy: 0.7863509742982516 Energy: 0.7750177820205997 Energy: 0.7866115370520178 Energy: 0.7919593462139892 Energy: 0.9326911986848067 Energy: 0.7930025910866568 Energy: 0.7862422011569437 Energy: 0.7865440441128158 Energy: 0.7877182532942297 Energy: 0.9321249614682197 Energy: 0.8447161114453642 Energy: 0.9431072045105997 Energy: 0.7875672680596444 Energy: 0.7863376595077523 Energy: 0.7865563722697563 Energy: 0.7882204000546207 Energy: 0.7861921619809897 Energy: 0.844646239128138 Energy: 0.9338307482376421 Energy: 0.7877193707536294 Energy: 0.7866806382337673 Energy: 0.78633954098536 Energy: 0.7868901106416476 Energy: 0.7865870522438142 Energy: 0.792815298781689 Energy: 0.9306765813857854 Energy: 0.7876370864508405 Energy: 0.7861320156842823 Energy: 0.7862311060526297 Energy: 0.7878507469104739 Energy: 0.9331154825089986 Energy: 0.863380270038423 Energy: 0.9424275882402823 Energy: 0.7744081849468385 Energy: 0.7861357360572719 Energy: 0.7864768164580095 Energy: 0.7753876931144503 Energy: 0.7871008946988584 Energy: 0.7868918018856432 Energy: 0.9325243731829694 Energy: 0.7882871652881402 Energy: 0.7861074374305944 Energy: 0.7861415493491306 Energy: 0.7876296739588106 Energy: 0.9323503386144361 minimum gb energy = 0.7744081849468385 eV minimum distance = 2.64267886852384 Angstroms sigma value = 23