Model name: model_name=EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.639085099101067 cohesive_energy=3.2833744382854766 mass=63.546 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=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.737187697280479e-19, 4.5501015317283e-19, 4.3304591369732395e-19, 4.0780842735855595e-19, 3.7909101337073997e-19, 3.46437051393186e-19, 3.0905186181543e-19, 2.65805910110502e-19, 2.15071384818258e-19, 1.5442339160313898e-19, 8.140178824363799e-20, -7.5836627705439e-21, -1.21445789945517e-19, -2.80119756158658e-19, -5.28636578211666e-19, -9.752625410587739e-19, -1.88686740009546e-18, -3.8359312971228e-18, -7.8321603664773e-18, -1.6872361914990598e-17, -4.06621214472762e-17, -1.182105146684808e-16, -4.6718669559123e-16] 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: 0.015303800133985222 Energy: 0.016962463156159083 Energy: 0.5061888744281735 Energy: 0.8515962721781118 Energy: 0.8543497345117106 Energy: 0.3173905298658623 Energy: 0.015808866501625 Energy: 0.015836446553636217 Energy: 0.896532442080285 Energy: 0.2520825777312351 Energy: 0.5067386063506781 Energy: 0.5084019728979888 Energy: 0.016738730935812157 Energy: 0.08795056913769224 Energy: 0.015647776589838663 Energy: 0.896140035457264 Energy: 0.7349374005651963 Energy: 0.506673731445815 Energy: 0.5090606302025543 Energy: 0.08673119326812753 Energy: 0.08819867974277976 Energy: 0.01771324025083248 Energy: 0.6705376821265263 Energy: 0.5067591812671407 Energy: 0.8372038731495987 Energy: 0.8539482107888412 Energy: 0.08694127406927211 Energy: 0.01610179306452149 Energy: 0.31745892057492686 Energy: 0.9027746726058111 Energy: 0.2522991229663061 Energy: 0.5066567392124454 Energy: 0.5078295649875254 Energy: 0.016516771959000906 Energy: 0.08690779157339805 Energy: 0.015594635062320653 Energy: 0.6693879894238757 Energy: 0.7348422065694447 Energy: 0.7354590753193081 Energy: 0.5088198207472427 Energy: 0.08664370211787366 Energy: 0.08813210076773569 minimum gb energy = 0.015303800133985222 eV minimum distance = 2.54995187569028 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.1284382704703335 Energy: 1.1694706601281437 Energy: 1.1907648485543787 Energy: 1.052176740749066 Energy: 1.1979537293357823 Energy: 1.213996287518942 Energy: 1.1644036098639805 Energy: 1.0300475022298567 Energy: 1.1448699504889865 Energy: 1.054630965437812 Energy: 1.2019330572933509 Energy: 1.1851561420557963 Energy: 1.0484525351085865 Energy: 1.1306908767616926 Energy: 1.1856643702633398 Energy: 1.187648057165957 Energy: 1.1604276561757547 Energy: 1.1531919571535187 Energy: 1.1673940425682658 Energy: 1.1577230335979487 Energy: 1.1462559117982245 Energy: 1.0129201812431037 Energy: 1.1911684816800974 Energy: 1.0339422803095921 Energy: 1.152710564154602 Energy: 1.1558411039270695 Energy: 1.1027217384840202 Energy: 1.2362015791598804 Energy: 1.2036388190581953 Energy: 1.1109934023428816 Energy: 1.094816350802568 Energy: 1.0516149055736612 Energy: 1.088389841371129 Energy: 1.1825982891784104 Energy: 1.170265637729642 Energy: 1.1341193128803548 Energy: 1.1116489032407235 Energy: 1.0958451836706404 Energy: 1.0665952950497757 Energy: 1.0592566291644665 Energy: 1.1425621651037983 Energy: 1.1188025665523682 Energy: 1.0493357065288649 Energy: 1.15734249219957 Energy: 1.136051337779656 Energy: 1.1281013802537152 Energy: 1.1422390642019855 Energy: 1.114131690851856 Energy: 1.1608671672526352 Energy: 1.0403828398475283 Energy: 1.1712027440368127 Energy: 1.1236530812487457 Energy: 1.1199974743982417 Energy: 1.1581620722985464 Energy: 1.066476290578124 Energy: 1.2131599506944468 Energy: 1.1036956191830742 Energy: 1.1391642430140718 Energy: 1.0598153068191616 Energy: 1.1472729649397506 Energy: 1.158718155490316 Energy: 1.076156763468179 Energy: 1.0702654591145206 Energy: 1.07193402882611 Energy: 1.1728523402686404 Energy: 1.102636616131325 Energy: 1.174716592331706 Energy: 1.0902394490536256 Energy: 1.0975065878955026 Energy: 1.0650320890666922 Energy: 1.0382670341319062 Energy: 1.1718364912635357 Energy: 1.0579540943607246 Energy: 1.146744066721222 Energy: 1.1830910137498627 Energy: 1.0986169649700663 Energy: 1.159350580568332 Energy: 1.159824574186007 Energy: 1.1011870975728077 Energy: 1.1729972418856198 Energy: 1.262393923849795 Energy: 1.264616696651874 Energy: 1.1003206956612999 Energy: 1.111385156201166 Energy: 1.0524752523244887 Energy: 1.1443095123478475 Energy: 1.138880060976443 Energy: 1.2013015034416101 Energy: 1.179329135400211 Energy: 1.0942609246219743 Energy: 1.1306217860924028 Energy: 1.095934819810216 Energy: 1.1222155875232167 Energy: 1.1687322470632082 Energy: 1.142151809264051 Energy: 1.1397959976679124 Energy: 1.1555162571219628 Energy: 1.1924068033854676 Energy: 1.0856891146316168 Energy: 1.0903108805399624 Energy: 1.119730718857455 Energy: 1.111414643752778 Energy: 1.0999781273535518 Energy: 1.0884589969808998 Energy: 1.123989562593078 Energy: 1.15447707947139 Energy: 1.142263717827474 Energy: 1.1635587509191108 Energy: 1.110721440147977 Energy: 1.120471519643829 Energy: 1.1814438859423655 Energy: 1.0757321345945277 Energy: 1.0584751357781723 Energy: 1.1831758312619898 Energy: 1.0911567189025637 Energy: 1.1436897362572906 Energy: 1.1162268703585183 Energy: 1.1114870719676968 Energy: 1.2195092975434028 Energy: 1.140932341261216 Energy: 1.1113036404153207 Energy: 1.1047259423677316 Energy: 1.1507380624526695 Energy: 1.1470531183350727 Energy: 1.1900945856123892 Energy: 1.107463927640089 Energy: 1.068542956249149 Energy: 1.0508329978834439 Energy: 1.048207901870451 Energy: 1.1291232382847458 Energy: 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1.1417440052333476 Energy: 1.231466225790652 Energy: 1.1139909572248556 Energy: 1.1096146719142705 Energy: 1.0542637992180288 Energy: 1.2063401626764088 Energy: 1.0817386268245737 Energy: 1.169945891279843 Energy: 1.1769657218974443 Energy: 1.0613105907982432 Energy: 1.147681889262378 Energy: 1.0978252852873864 Energy: 1.113150045650042 Energy: 1.1344939038100323 Energy: 1.1007266461395768 Energy: 1.1387399552918402 Energy: 1.1478054665207413 Energy: 1.146367934241031 Energy: 1.0639300116505332 Energy: 1.033336496645784 Energy: 1.0955178337091933 Energy: 1.141342854267708 Energy: 1.1702978071655352 Energy: 1.0868070276024968 Energy: 1.1235321269714753 Energy: 1.198863037160642 Energy: 1.1242154804716409 Energy: 1.1592730699849676 Energy: 1.1389010076152353 Energy: 1.1239114068950378 Energy: 1.1097964968231404 Energy: 1.079679777573987 Energy: 1.0582313546692825 Energy: 1.1822397631158734 Energy: 1.0491148346019774 Energy: 1.1484116570294038 Energy: 1.1018001791080398 Energy: 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1.0506231295889323 Energy: 1.153087421638107 Energy: 1.0345828048271224 Energy: 1.1855660445469767 Energy: 1.1695269576523126 Energy: 1.024024584956059 Energy: 1.0965875229884154 Energy: 1.115319774978285 Energy: 1.070457568169428 Energy: 1.1332603544587287 Energy: 1.1826715319601844 Energy: 1.1530188111203874 Energy: 1.088062666860793 Energy: 1.0704884787674882 minimum gb energy = 1.0103404469035766 eV minimum distance = 2.17683687992669 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.1479952148834236 Energy: 1.0315807609954846 Energy: 1.1777077440254484 Energy: 1.2097672454112467 Energy: 1.3806006683463177 Energy: 1.1637022943437105 Energy: 1.1479717794996167 Energy: 1.1260659084738527 Energy: 1.1540791977519835 Energy: 1.0374829476594933 Energy: 1.1295086185223484 Energy: 1.0586127226842892 Energy: 1.0942129165432137 Energy: 1.1716791871829186 Energy: 1.1290011900379118 Energy: 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1.0059180113261732 Energy: 1.0051960480772588 Energy: 0.9860653725195769 Energy: 1.0318128537426239 Energy: 0.9987115385430525 Energy: 1.0547657812559665 Energy: 1.0725933894309676 Energy: 1.0733543186578813 Energy: 1.0217065682519029 Energy: 1.0051511656423378 Energy: 1.040134434487594 Energy: 1.2271688281927497 Energy: 1.0634473761291827 Energy: 1.2207851861983623 Energy: 1.1357399694489412 Energy: 1.1026368869522527 Energy: 1.0523413128417365 Energy: 1.0221271372917389 Energy: 1.2113611899932821 Energy: 1.1359286807797626 Energy: 1.0630107435306124 Energy: 1.1342195891842912 Energy: 1.144930672777952 Energy: 1.0123921368973472 Energy: 1.156629102667627 Energy: 1.1491235938318383 Energy: 1.2232901496995905 Energy: 1.2324756571945181 Energy: 1.0820272316635875 Energy: 1.1609032278047933 Energy: 1.0238121408804706 Energy: 1.2209982950857274 Energy: 1.172917851627956 Energy: 1.0801639520117232 Energy: 1.305994709389139 Energy: 1.006128571550822 Energy: 1.0054276758763319 Energy: 1.234912335621151 Energy: 1.185645237124782 Energy: 1.0955372786093176 Energy: 1.17253526180255 Energy: 1.201209782787869 Energy: 1.1049508898007576 Energy: 1.1598656830042235 Energy: 1.321805570370641 minimum gb energy = 0.9715752854177215 eV minimum distance = 2.05668307896383 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.2180953248026665 Energy: 1.2540633685146385 Energy: 1.2475907146762835 Energy: 1.2134719144717458 Energy: 1.245312069212985 Energy: 1.2414494219483874 Energy: 1.167025676999128 Energy: 1.282192395891467 Energy: 1.2032740851518857 Energy: 1.252050274434271 Energy: 1.2288757389017093 Energy: 1.2783880969869974 Energy: 1.277411877352685 Energy: 1.2306134334119874 Energy: 1.2585325737653794 Energy: 1.2244360110306394 Energy: 1.1964118814242597 Energy: 1.2040330370640842 Energy: 1.222286380542644 Energy: 1.1769251415987452 Energy: 1.1667052624454188 Energy: 1.1874683370949561 Energy: 1.16798712027527 Energy: 1.2097069127980113 Energy: 1.2554448771896554 Energy: 1.2509704661650316 Energy: 1.1836787555012425 Energy: 1.2554433193974261 Energy: 1.1596964466070045 Energy: 1.2064914435979623 Energy: 1.2045531641871547 Energy: 1.1234202134086628 Energy: 1.127543645118002 Energy: 1.1989732880138304 Energy: 1.1642993815630167 Energy: 1.0967748506722237 Energy: 1.130716118137825 Energy: 1.192422450028979 Energy: 1.1086441259658275 Energy: 1.08348099925209 Energy: 1.2125144568145128 Energy: 1.1464391065194308 Energy: 1.209205101737925 Energy: 1.1244261843640666 Energy: 1.12536790841139 Energy: 1.0956561174845776 Energy: 1.1399152582864698 Energy: 1.1589731802469436 Energy: 1.213874108681099 Energy: 1.1342871195624935 Energy: 0.9857221314969862 Energy: 1.062081762036884 Energy: 1.1779159835410828 Energy: 1.1933229196879183 Energy: 1.1401783808698427 Energy: 1.0499685180268017 Energy: 1.1237944841427423 Energy: 1.066600554017896 Energy: 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1.2581966405835354 Energy: 1.183624864418209 Energy: 1.221656136187997 Energy: 1.2169098604140938 Energy: 1.2687593223077496 Energy: 1.2482958153189183 Energy: 1.242489739616819 Energy: 1.249180101066267 Energy: 1.2545446166808 Energy: 1.2981723283143491 Energy: 1.1054165776891949 Energy: 1.2281706038110731 Energy: 1.1517698284323385 Energy: 1.1287425288419857 Energy: 1.3240917074388219 Energy: 1.255334162964986 Energy: 1.360708528467371 Energy: 1.1110866763624605 Energy: 1.2540548255967379 Energy: 1.1121664976035068 Energy: 1.1435016106062543 Energy: 1.322238866174008 Energy: 1.1815201333990442 Energy: 1.266171261991436 Energy: 1.2436616931726612 Energy: 1.2537610234015943 Energy: 1.2589041379549661 Energy: 1.2435094101021624 Energy: 1.2814499871408516 Energy: 1.2900879039383748 Energy: 1.260461448629067 Energy: 1.247148519828218 Energy: 1.271388972800343 Energy: 1.2951306674717922 Energy: 1.2507590917628637 Energy: 1.1242306862384432 Energy: 1.1718923648806552 Energy: 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1.2132026781981773 Energy: 1.2132909940546803 Energy: 1.0864597883448939 Energy: 1.0329786363351374 Energy: 1.123773024308286 Energy: 1.071119435804634 Energy: 1.200339345210366 Energy: 1.0812018956240221 Energy: 1.179182993753095 Energy: 1.180609977360466 Energy: 1.0756857361597185 Energy: 1.1558278241044402 Energy: 1.1275924954778687 Energy: 1.1679200093276483 Energy: 1.0055729471535413 Energy: 1.0076196177631007 Energy: 1.24883302026913 Energy: 1.0980876800022967 Energy: 1.164759550960885 Energy: 1.107019257987196 Energy: 1.1276110937702877 Energy: 1.029811726511513 Energy: 1.0390143846354203 Energy: 1.2273113945497023 Energy: 1.0862691835933334 Energy: 1.182841198588452 Energy: 1.0172520079798484 Energy: 1.1999577026534334 Energy: 1.114751855745199 Energy: 1.1336492186814626 Energy: 1.1360488533614332 Energy: 1.028333645542974 Energy: 1.193415643018717 Energy: 1.0002559313413983 Energy: 1.0525798212771418 Energy: 1.1361536845875817 Energy: 1.119210770088419 Energy: 1.108377649029505 Energy: 0.981706600918871 Energy: 1.1905120472310797 Energy: 1.1153175380394735 Energy: 1.0819706313673216 Energy: 1.109359306268301 Energy: 1.079558501670987 Energy: 1.1280159573960153 Energy: 1.1695360945886883 Energy: 1.0917698985825566 Energy: 1.1292092648291403 Energy: 1.1963202895374634 Energy: 1.0495750106715285 Energy: 1.0709350099766712 Energy: 1.210920023923736 Energy: 1.120758912937942 Energy: 1.1688771073076618 Energy: 1.132863183593105 Energy: 1.1821348758649872 Energy: 1.147028505451924 Energy: 1.1291768534329745 Energy: 1.1034000347526718 Energy: 1.1438715488783198 Energy: 1.191332195212454 Energy: 1.0954673358126228 Energy: 1.1721927226798712 Energy: 1.2359620668934381 Energy: 1.1912480374088679 Energy: 1.1638165426756146 Energy: 1.0689566983391194 Energy: 1.1465095141264499 Energy: 1.139046762140003 Energy: 1.187318702204995 Energy: 1.1697116632575646 Energy: 1.1962322370961997 Energy: 1.2008224763099178 Energy: 1.1597034222349338 Energy: 1.2358622895738063 Energy: 1.153185161860507 Energy: 1.1999164726715548 Energy: 1.2183159490478555 Energy: 1.2020210246227345 Energy: 1.2521412090596735 Energy: 1.2520645077031325 Energy: 1.1910302676990367 Energy: 1.2544974699213063 Energy: 1.217085982518033 Energy: 1.2842333055748913 Energy: 1.2241494880697827 Energy: 1.2474457100829923 Energy: 1.2561034266835573 Energy: 1.2100540023218351 Energy: 1.3143919778580422 Energy: 1.105445277288182 Energy: 1.2074453548062611 Energy: 1.1454226243819052 Energy: 1.1974772447874593 Energy: 1.3434641296154939 Energy: 1.2759714299184506 Energy: 1.2966450614127552 Energy: 1.1133323417540737 Energy: 1.2690000050858177 Energy: 1.1404304201314033 Energy: 1.188967508172507 Energy: 1.26396931212517 Energy: 1.1817826721857865 Energy: 1.287400996833978 Energy: 1.2495313945046573 Energy: 1.2317176574310562 Energy: 1.2490474862675047 Energy: 1.2101127477408307 Energy: 1.2775840895904538 minimum gb energy = 0.981706600918871 eV minimum distance = 2.12808363972459 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.057973399642175 Energy: 1.012179363146099 Energy: 1.0152112926529042 Energy: 1.0107805892335906 Energy: 1.0107454143426675 Energy: 1.0135129554266444 Energy: 1.0136608117661847 Energy: 1.0041536779263098 Energy: 1.2132886570242867 Energy: 1.001593772949483 Energy: 1.0065612051113693 Energy: 1.0074919967656553 Energy: 1.0018223866381355 Energy: 1.2137821130926632 Energy: 1.00705497615542 Energy: 1.2049658579546572 Energy: 1.0106571694369806 Energy: 1.003494660831093 Energy: 1.0031834209358317 Energy: 1.01022962438269 Energy: 1.0040804159872647 Energy: 1.0081775577689638 Energy: 1.207386507126895 Energy: 1.0060863273998324 Energy: 1.0027537615571354 Energy: 1.0024493793155997 Energy: 1.0044812328031871 Energy: 1.0043203896549306 Energy: 1.0037963705825628 Energy: 1.205357730683337 Energy: 1.003226402359681 Energy: 1.2073805336179968 Energy: 1.002303965690089 Energy: 1.0031660539013911 Energy: 1.2160317347351974 Energy: 1.008208152434249 Energy: 1.1969170355496066 Energy: 1.0067386496300543 Energy: 1.0091634614782883 Energy: 1.0107716974000527 Energy: 1.0053734026632728 Energy: 1.0129006584291955 Energy: 1.0066536064558789 Energy: 1.211186957853091 Energy: 1.0063282260212376 Energy: 1.0060337023279975 Energy: 1.0067561388281514 Energy: 1.00550966670147 Energy: 1.212962410153324 Energy: 1.00693328292367 Energy: 1.2107652186314009 Energy: 1.0110713425201996 Energy: 1.0063874132077621 Energy: 1.006385074581186 Energy: 1.0057554820187358 Energy: 1.212584603807107 Energy: 1.0100319055507896 Energy: 1.1943725059197252 Energy: 1.005974619755055 Energy: 1.0051980735775645 Energy: 1.0032349376276457 Energy: 1.0042347069701199 Energy: 1.0123590796570008 Energy: 1.0505769588769818 Energy: 1.2057174970694415 Energy: 1.0030842860346625 Energy: 1.2062557094066244 Energy: 1.2059431798278748 Energy: 1.0038651530528804 Energy: 1.2056414208153712 Energy: 1.0090969403144991 Energy: 1.2184924744699264 Energy: 1.005583525091208 Energy: 1.0036518430832044 Energy: 1.0023001247765737 Energy: 1.0042844054248035 Energy: 1.010872708901467 Energy: 1.0076967075537147 Energy: 1.21154931277549 Energy: 1.0111469844714154 Energy: 1.0062533867057688 Energy: 1.0070410901139668 Energy: 1.0056876718437657 Energy: 1.2103360720818241 Energy: 1.0068716379074236 Energy: 1.2121560168994914 Energy: 1.006457233097122 Energy: 1.0060945063578808 Energy: 1.0072181389021597 Energy: 1.0057738171094361 Energy: 1.2138715778536477 Energy: 1.0081075637415657 Energy: 1.2126336412400192 Energy: 1.0076061848898483 Energy: 1.010593943490595 Energy: 1.0110357487251331 Energy: 1.0067157921622754 Energy: 1.0135398767919817 Energy: 1.0039419156004403 Energy: 1.2099898089080843 Energy: 1.0033256924212723 Energy: 1.0215110823831155 Energy: 1.0025859165490447 Energy: 1.0013654556104734 Energy: 1.2056820124163206 Energy: 1.0076979835173467 Energy: 1.2048317965567557 Energy: 1.0087737698089048 Energy: 1.0029876249774348 Energy: 1.0026270888018918 Energy: 1.0047697001381461 Energy: 1.0057002141351175 Energy: 1.0073423803797268 Energy: 1.2042233257663553 Energy: 1.0100234561521757 Energy: 1.0028354408142575 Energy: 1.0027298670481266 Energy: 1.0053051350980962 Energy: 1.0050700201018463 Energy: 1.0040730768641506 Energy: 1.2065686569320524 Energy: 1.001768704324963 Energy: 1.0076246213347155 Energy: 1.0059015683448007 Energy: 1.0016695336639816 Energy: 1.2058289046731765 Energy: 1.0086761373266524 Energy: 1.213120409421156 Energy: 1.0141530244691341 Energy: 1.010826807654308 Energy: 1.010575757435897 Energy: 1.0141891109524095 Energy: 1.0133462597520215 Energy: 1.0070158292608913 Energy: 1.2128154278553644 Energy: 1.0026248607566035 Energy: 1.0063735460975016 Energy: 1.006943119702028 Energy: 1.0065035818265653 Energy: 1.2140198494886005 minimum gb energy = 1.0013654556104734 eV minimum distance = 2.17087228185324 Angstroms sigma value = 23