Model name: model_name=EAM_Dynamo_WangZhuXiang_2018pot2_Pb__MO_961101070310_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Pb Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.989170035719873 cohesive_energy=2.0416246998476395 mass=207.2 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=[1.398421422747684e-19, 1.6675935059662198e-19, 1.8234051836227198e-19, 1.94869539640152e-19, 2.07523530695484e-19, 2.20022110617318e-19, 2.3203843537231798e-19, 2.4262722074642395e-19, 2.5167951872852396e-19, 2.60172657065358e-19, 2.6799448339254597e-19, 2.75258752251102e-19, 2.8204557247272595e-19, 2.8839179412e-19, 2.94060295051092e-19, 2.99273777818128e-19, 3.0420527749758e-19, 3.0879871790725797e-19, 3.1304288381072395e-19, 3.1692655997154e-19, 3.2041129415049e-19, 3.23437805812116e-19, 3.2595322312749596e-19, 3.2707795112456394e-19, 3.2684243115936595e-19, 3.26552437188612e-19, 3.25438924427982e-19, 3.2330963168139597e-19, 3.19927436807022e-19, 3.15007152364008e-19, 3.0819309513960595e-19, 2.98956546844596e-19, 2.86640615059038e-19, 2.70817518621654e-19, 2.5054037114175e-19, 2.2475173604088597e-19, 1.9194556728310197e-19, 1.484870067388422e-19, 9.437525331978959e-20, 2.5993713710016e-20, -6.148705311834479e-20, -1.7430880689602998e-19, -3.20268700430064e-19, -5.13987877247004e-19, -7.725407337353879e-19, -1.1256075920400659e-18, -1.6170127896308397e-18, -2.32192244329182e-18, -3.3580660942659595e-18, -4.9671481095585e-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: 0.005063235045269095 Energy: 0.00533572237817055 Energy: 0.10435361010488528 Energy: 0.1554475796873887 Energy: 0.22217372257065757 Energy: 0.07517674251549546 Energy: 0.005379403430934308 Energy: 0.005130980814036464 Energy: 0.22399474516268972 Energy: 0.0713832718026341 Energy: 0.10433077664803239 Energy: 0.14382611546073448 Energy: 0.005348068940201173 Energy: 0.023106328648738225 Energy: 0.0051623155092029105 Energy: 0.22403199870168627 Energy: 0.14093410835210868 Energy: 0.14155801626539918 Energy: 0.18074319422220436 Energy: 0.024555829398023574 Energy: 0.022820436107342485 Energy: 0.005167709455857456 Energy: 0.10421027667073068 Energy: 0.14587041914320079 Energy: 0.15567367724816372 Energy: 0.22311318232546157 Energy: 0.02409357560788329 Energy: 0.005498005620567037 Energy: 0.0740328995279492 Energy: 0.22553906134108187 Energy: 0.07179806216884793 Energy: 0.10412686275771901 Energy: 0.14388327202899287 Energy: 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0.2966724327656908 Energy: 0.2847323784209565 Energy: 0.3071239077588409 Energy: 0.3053680383248658 Energy: 0.2971939481134222 Energy: 0.2995806850552824 Energy: 0.3051666886695885 Energy: 0.29966902299076936 Energy: 0.29902308446439646 Energy: 0.3163972427138584 Energy: 0.3025541672751116 Energy: 0.3011532793767873 Energy: 0.30474228556841554 Energy: 0.29665078009962165 Energy: 0.2877447823190136 Energy: 0.3215178314213476 Energy: 0.3167061448823882 Energy: 0.29827292666170924 Energy: 0.2853301377097992 Energy: 0.2944646799527799 Energy: 0.2973534067222906 Energy: 0.29227432984343893 Energy: 0.2855788419861272 Energy: 0.299001103510645 Energy: 0.29682762240822186 minimum gb energy = 0.28013901036733574 eV minimum distance = 3.12420360527013 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.2895682509936877 Energy: 0.2823315807205638 Energy: 0.29307842441395415 Energy: 0.2969913126527998 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======================================== theta = 38.21321070173819 ======================================== Energy: 0.26505166055037926 Energy: 0.2710844102148264 Energy: 0.2718170959619177 Energy: 0.30535774055541687 Energy: 0.2896233855936483 Energy: 0.28898878590449606 Energy: 0.25828123106641737 Energy: 0.27116468012129985 Energy: 0.2891107671940809 Energy: 0.2900294123461867 Energy: 0.27819305856427173 Energy: 0.27166222675568097 Energy: 0.27406299160370573 Energy: 0.27537969102206505 Energy: 0.2746990225567758 Energy: 0.2694693055071875 Energy: 0.2843951046194532 Energy: 0.27232839770811595 Energy: 0.27183756911492674 Energy: 0.27441941299168426 Energy: 0.27496431649890957 Energy: 0.2742651520554774 Energy: 0.2649528463510304 Energy: 0.28754112768524104 Energy: 0.2682666519649659 Energy: 0.277833101092892 Energy: 0.27399346086527127 Energy: 0.29260686433061744 Energy: 0.274321834669236 Energy: 0.27186206572944244 Energy: 0.27199768249042594 Energy: 0.28007573324448604 Energy: 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0.2642625259238229 Energy: 0.2664937787197149 Energy: 0.2709413100335924 Energy: 0.26739444304799787 Energy: 0.3051775179622946 Energy: 0.3047945602361064 Energy: 0.2976339873174594 Energy: 0.280224027850232 Energy: 0.3121190027134183 Energy: 0.26087763458820323 Energy: 0.2981363719878775 Energy: 0.27580378225191937 Energy: 0.27941168989268594 Energy: 0.2534576129224969 Energy: 0.26260682137744806 Energy: 0.27649026952796607 Energy: 0.2606946013507243 Energy: 0.30111767615242274 Energy: 0.2822028773887817 Energy: 0.2818783271853658 Energy: 0.2939354119937689 Energy: 0.28115831720901036 Energy: 0.341646654499089 Energy: 0.2712328329966619 Energy: 0.2674490316914684 Energy: 0.28764127435255143 Energy: 0.3224911624121622 Energy: 0.27056209553884225 Energy: 0.2830982146157622 Energy: 0.3103098674092355 Energy: 0.25650677267850486 Energy: 0.2965783223987685 Energy: 0.26714185921346306 Energy: 0.2751964299114235 Energy: 0.2771547164887308 Energy: 0.28097729942968647 Energy: 0.34203567888049796 minimum gb energy = 0.2532582690190183 eV minimum distance = 3.11647699594458 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.3113822279029555 Energy: 0.3540988419575768 Energy: 0.3273197989517092 Energy: 0.34073174904746983 Energy: 0.33669974390803903 Energy: 0.3345037266854537 Energy: 0.3698065478867 Energy: 0.31868301229083157 Energy: 0.32706446815845075 Energy: 0.33377609854418094 Energy: 0.3210487697038908 Energy: 0.3383293050106955 Energy: 0.30998717602956394 Energy: 0.33336617090832543 Energy: 0.3328205461495545 Energy: 0.334828672669851 Energy: 0.3138931911837903 Energy: 0.33341549007063287 Energy: 0.33744165055361397 Energy: 0.3092227681812956 Energy: 0.31408507900752586 Energy: 0.31117680722605146 Energy: 0.3266196433759988 Energy: 0.29974649549042287 Energy: 0.3103439192093129 Energy: 0.33963087315685775 Energy: 0.32330635563813165 Energy: 0.3294182125888984 Energy: 0.3285439284896468 Energy: 0.3231840389636136 Energy: 0.31021603751806975 Energy: 0.328760656178649 Energy: 0.31731176169631986 Energy: 0.32011267257346593 Energy: 0.31996182530146033 Energy: 0.3077965905543299 Energy: 0.31699969874905076 Energy: 0.32155810025874243 Energy: 0.3153893395910616 Energy: 0.3014650990189107 Energy: 0.3090192453613887 Energy: 0.3119200342606328 Energy: 0.3015489474200999 Energy: 0.31767749513729887 Energy: 0.30035754441423174 Energy: 0.3025193608845287 Energy: 0.31265848391210566 Energy: 0.3054649413001308 Energy: 0.3441896664907107 Energy: 0.28643304079625076 Energy: 0.2941247718290701 Energy: 0.28623280354675484 Energy: 0.3333328111118371 Energy: 0.31729249765758716 Energy: 0.28959393059020605 Energy: 0.2944726146705838 Energy: 0.2772542697022978 Energy: 0.31401325491584253 Energy: 0.29497082110711315 Energy: 0.2812489083794117 Energy: 0.31106557094287984 Energy: 0.3022629752239605 Energy: 0.3334237595693984 Energy: 0.31087048322944394 Energy: 0.3234940076066426 Energy: 0.2912486367222429 Energy: 0.2807274251600517 Energy: 0.2950396637609137 Energy: 0.3138814929220211 Energy: 0.3123446432113807 Energy: 0.325648450717173 Energy: 0.3020421846926098 Energy: 0.2950297049295727 Energy: 0.293666104607387 Energy: 0.29598683045899926 Energy: 0.29733482404375594 Energy: 0.30354774280294267 Energy: 0.2815238255835278 Energy: 0.3075250439852756 Energy: 0.30155950254880315 Energy: 0.2838100762418597 Energy: 0.2862241781512208 Energy: 0.30778776506019123 Energy: 0.29249573420349956 Energy: 0.30823543736342185 Energy: 0.2916826899950717 Energy: 0.29953659460195 Energy: 0.32536456538562314 Energy: 0.3287371360028078 Energy: 0.2963562377421628 Energy: 0.2904904594078329 Energy: 0.29277967193559107 Energy: 0.31765660667726037 Energy: 0.29379501868011165 Energy: 0.2872999306140776 Energy: 0.2893969711061678 Energy: 0.2931130690536052 Energy: 0.33411762533412914 Energy: 0.2919947495211638 Energy: 0.32540502630154083 Energy: 0.3236906471322598 Energy: 0.2960104578173912 Energy: 0.27968487543252524 Energy: 0.29728862306568044 Energy: 0.3219670469157473 Energy: 0.3122970020734811 Energy: 0.3150115942376427 Energy: 0.2997472736631485 Energy: 0.32278212237658543 Energy: 0.3262380213949404 Energy: 0.29164032232244536 Energy: 0.31544538174501907 Energy: 0.31095131066249593 Energy: 0.32981486551286654 Energy: 0.29525863444177625 Energy: 0.32600817438781154 Energy: 0.32627622243514237 Energy: 0.3294940786575598 Energy: 0.32499069119081037 Energy: 0.3188331165784499 Energy: 0.3251245485760721 Energy: 0.3280481589837502 Energy: 0.30880001883611996 Energy: 0.3107863613734081 Energy: 0.34554247043862485 Energy: 0.3253310566142617 Energy: 0.3346073645218611 Energy: 0.33889746613268334 Energy: 0.3198540552364417 Energy: 0.3223469458870482 Energy: 0.3346086759576681 Energy: 0.3287543730169253 Energy: 0.3372987684984438 Energy: 0.30265221387107716 Energy: 0.34325914316471307 Energy: 0.33881457080369276 Energy: 0.32567044148523583 Energy: 0.323753887198535 Energy: 0.32148747001377753 Energy: 0.33455894018581883 Energy: 0.3269523283049927 Energy: 0.3284750483468386 Energy: 0.29782041204671605 Energy: 0.33620637796983477 Energy: 0.34033078379784765 Energy: 0.30385908065328227 Energy: 0.3306916712772791 Energy: 0.3235995989069268 Energy: 0.3313787032652077 Energy: 0.3013844969239712 Energy: 0.32036684933882914 Energy: 0.3333435724260587 Energy: 0.30580219620717175 Energy: 0.3352933842524976 Energy: 0.2958295936903867 Energy: 0.3227929038230135 Energy: 0.31491353372272307 Energy: 0.3250323900266862 Energy: 0.34216517326465157 Energy: 0.3297910529365596 Energy: 0.3277291262475954 Energy: 0.33606928756999627 Energy: 0.34034437776032844 Energy: 0.3199526572370943 Energy: 0.3096140935440682 Energy: 0.3205873642798247 Energy: 0.3061989072114842 Energy: 0.344212353372729 Energy: 0.3134208998949818 Energy: 0.3275437827835252 Energy: 0.3137193208344705 Energy: 0.33377735756817034 Energy: 0.3105351559260154 Energy: 0.3293160510204286 Energy: 0.3256327924497733 Energy: 0.2983235493384507 Energy: 0.3312525080502448 Energy: 0.3347126022890964 Energy: 0.3262818861872427 Energy: 0.3287775961414829 Energy: 0.32383215562824325 Energy: 0.37370824245623774 Energy: 0.3221263968304867 Energy: 0.3196425087748966 Energy: 0.3191714190958843 Energy: 0.31976681687223096 Energy: 0.31946784645422094 Energy: 0.3132607771620466 Energy: 0.3328662716093695 Energy: 0.30721331116770123 Energy: 0.3299549341893229 Energy: 0.3300502027906953 Energy: 0.3160379371652011 Energy: 0.2969526281241143 Energy: 0.31256173650632674 Energy: 0.3307390294450811 Energy: 0.2924271602311002 Energy: 0.3198573329612633 Energy: 0.3021652606055257 Energy: 0.29287802908617655 Energy: 0.2947695452347864 Energy: 0.3227599400078732 Energy: 0.34076742434704005 Energy: 0.29638443936351083 Energy: 0.2945768106405349 Energy: 0.29512405325132757 Energy: 0.3332743846300664 Energy: 0.330428521026724 Energy: 0.28474921162321815 Energy: 0.29501300832338206 Energy: 0.27811789388225844 Energy: 0.31597795785887994 Energy: 0.3047851257947902 Energy: 0.28110520879815715 Energy: 0.3134067645062841 Energy: 0.3108414181805741 Energy: 0.33454998449614837 Energy: 0.3198933457083067 Energy: 0.31370605544355795 Energy: 0.28770692293850114 Energy: 0.2831184229921477 Energy: 0.29460878072333563 Energy: 0.3102469779868077 Energy: 0.3129229242178171 Energy: 0.324879869671786 Energy: 0.3061784420939637 Energy: 0.3043573123981377 Energy: 0.28908780302808873 Energy: 0.30457655283676943 Energy: 0.3093263540169743 Energy: 0.30694969046483167 Energy: 0.28063143161745546 Energy: 0.3078343055400833 Energy: 0.29893182715395483 Energy: 0.28722034193685503 Energy: 0.3106462247213412 Energy: 0.3212974846854184 Energy: 0.31761551529829257 Energy: 0.3044165970268133 Energy: 0.29028455330366293 Energy: 0.29726083951138954 Energy: 0.3225421102789136 Energy: 0.3239109040658625 Energy: 0.2901928559809494 Energy: 0.2898347820691347 Energy: 0.30358015726162313 Energy: 0.3161121987309491 Energy: 0.2941928829317874 Energy: 0.3039553183771783 Energy: 0.29010601960479915 Energy: 0.29567462356343693 Energy: 0.3326064980278986 Energy: 0.29229851725266964 Energy: 0.3139369995099942 Energy: 0.32063552897906594 Energy: 0.2830779160803931 Energy: 0.2798301564626782 Energy: 0.3011748849773332 Energy: 0.32478573548724265 Energy: 0.3151967589949124 Energy: 0.3156903663086565 Energy: 0.30632442089570827 Energy: 0.3215588141053375 Energy: 0.32200784167102886 Energy: 0.3141748054711742 Energy: 0.3153844993135731 Energy: 0.2987484875501736 Energy: 0.32955815165913893 Energy: 0.3062493891079944 Energy: 0.32594033762408275 Energy: 0.31815096106163365 Energy: 0.3266359808307052 Energy: 0.3493539713412241 Energy: 0.3046476172030027 Energy: 0.3240314734322946 Energy: 0.31657846499405173 Energy: 0.31832087384811136 Energy: 0.3329388439430002 Energy: 0.3066588166827863 Energy: 0.318708439214217 Energy: 0.32360991300072384 Energy: 0.34112313841067204 Energy: 0.33573267523523725 Energy: 0.3194341420897404 Energy: 0.3376190486791712 Energy: 0.33010088621295564 Energy: 0.3343069484234336 Energy: 0.30341772521446203 Energy: 0.3235710869252263 Energy: 0.33938414319982174 Energy: 0.32330758357624234 Energy: 0.32423776017537653 Energy: 0.3258935503416612 Energy: 0.3339416221144134 Energy: 0.3231704824996264 Energy: 0.3279792985206737 Energy: 0.2943628733020269 Energy: 0.3162520081272263 Energy: 0.33288401715528765 Energy: 0.3000603982621412 Energy: 0.3210684609784995 Energy: 0.3497356987778432 Energy: 0.3322969877190937 Energy: 0.31197924636349106 Energy: 0.325709166595435 Energy: 0.3328332550305326 Energy: 0.3008644515641791 Energy: 0.3438972610216985 Energy: 0.3049797037369774 Energy: 0.3396671292183324 Energy: 0.3196658622796385 Energy: 0.3287897233271648 Energy: 0.32556522982263264 Energy: 0.3344525760980455 Energy: 0.3404981694363767 minimum gb energy = 0.2772542697022978 eV minimum distance = 3.06284619826483 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.3037638236979711 Energy: 0.2897002290840285 Energy: 0.28820047810331656 Energy: 0.2896608012462377 Energy: 0.2883264860953973 Energy: 0.2887813414905367 Energy: 0.2895746410410853 Energy: 0.28783872000149724 Energy: 0.3345684087735655 Energy: 0.29506372632659983 Energy: 0.2907338719227307 Energy: 0.2910445226102446 Energy: 0.29175456709316205 Energy: 0.3349763382629898 Energy: 0.294996931177324 Energy: 0.33225488706637646 Energy: 0.29166523348664786 Energy: 0.2881174442048553 Energy: 0.28831145790596496 Energy: 0.28866254852016654 Energy: 0.28949772822518344 Energy: 0.2950776030331149 Energy: 0.3324081230430496 Energy: 0.28865317693153836 Energy: 0.2892979129451238 Energy: 0.2881213877486679 Energy: 0.28860755666391935 Energy: 0.28917614338339054 Energy: 0.2873535112135792 Energy: 0.33442849172780614 Energy: 0.28526637815233236 Energy: 0.33690541736229623 Energy: 0.29112951857469 Energy: 0.27931392288298323 Energy: 0.33481365701369764 Energy: 0.2950246565434568 Energy: 0.3330064580821353 Energy: 0.2886092977207913 Energy: 0.28982068195624977 Energy: 0.28817397140970696 Energy: 0.288573618947491 Energy: 0.2891543089235546 Energy: 0.2950071131995688 Energy: 0.3314632297463157 Energy: 0.2918408217216454 Energy: 0.2884630362583669 Energy: 0.2908356658752146 Energy: 0.29132425066340806 Energy: 0.3323927733872313 Energy: 0.29499856898428584 Energy: 0.33177548985747096 Energy: 0.2921102482217404 Energy: 0.2882199594464334 Energy: 0.28853666227237135 Energy: 0.29137309314971527 Energy: 0.33213673023399215 Energy: 0.2969035820157896 Energy: 0.331431740695645 Energy: 0.2885560629576983 Energy: 0.2879880093679159 Energy: 0.288022372661218 Energy: 0.2886606731808156 Energy: 0.2894485726299002 Energy: 0.3053543682896864 Energy: 0.33431031923196375 Energy: 0.285271757419629 Energy: 0.3368777092104911 Energy: 0.3369507691305501 Energy: 0.27922176003565036 Energy: 0.33485661989431714 Energy: 0.29907146662687323 Energy: 0.3326272234733206 Energy: 0.28876183744152584 Energy: 0.28987201196047885 Energy: 0.2881036052885267 Energy: 0.28870409581586515 Energy: 0.2893003581958484 Energy: 0.2950394667492902 Energy: 0.3324592460161117 Energy: 0.2913421860403766 Energy: 0.2883067856592988 Energy: 0.28834134884650464 Energy: 0.29140754092772153 Energy: 0.333012092439764 Energy: 0.2950469725654912 Energy: 0.33180704924007903 Energy: 0.29143275628432264 Energy: 0.29087276403304724 Energy: 0.2910810449099904 Energy: 0.2918290040076756 Energy: 0.3323070088391644 Energy: 0.29527798428309254 Energy: 0.33268834794713975 Energy: 0.28861411322253383 Energy: 0.2893781281038545 Energy: 0.29017188763981283 Energy: 0.28886201075054685 Energy: 0.2895398391218251 Energy: 0.2873716142776232 Energy: 0.33439380566150034 Energy: 0.28561514596820364 Energy: 0.29099825449365835 Energy: 0.29113848087304967 Energy: 0.29154467022991803 Energy: 0.33481027816428277 Energy: 0.2949814935178429 Energy: 0.33240414882886776 Energy: 0.28879056261664504 Energy: 0.289571124356859 Energy: 0.288248586780541 Energy: 0.2886588667215079 Energy: 0.28937049364920964 Energy: 0.2950643966759128 Energy: 0.3323157419268943 Energy: 0.28869504099928384 Energy: 0.288142421125621 Energy: 0.28834369815071975 Energy: 0.2887448203362125 Energy: 0.28928297593010965 Energy: 0.2878431553248993 Energy: 0.3344518607534211 Energy: 0.295284893897078 Energy: 0.290857049549044 Energy: 0.2909790627977216 Energy: 0.29159915900595806 Energy: 0.3349611231964938 Energy: 0.2953018690230651 Energy: 0.3320209024713028 Energy: 0.28881958072084324 Energy: 0.2897348032835931 Energy: 0.2882419018307788 Energy: 0.28867160223683397 Energy: 0.28956288067859665 Energy: 0.29509176727309117 Energy: 0.33183770313765104 Energy: 0.29434922646630807 Energy: 0.29068469309776973 Energy: 0.29099565764067536 Energy: 0.2917334457026893 Energy: 0.33211451646625034 minimum gb energy = 0.27922176003565036 eV minimum distance = 3.18468218428803 Angstroms sigma value = 23