Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Pb__MO_019208265157_001 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=4.9497474655508995 cohesive_energy=2.0401604561541418 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=[5.63225969563092e-20, 9.06032488703634e-20, 1.197364276947024e-19, 1.45190848749714e-19, 1.6774789357979998e-19, 1.87901673458886e-19, 2.05990247656746e-19, 2.22266760081552e-19, 2.36923471929384e-19, 2.5011579433373995e-19, 2.61967094895438e-19, 2.72583117272322e-19, 2.82050379002628e-19, 2.90447386741422e-19, 2.9783982973069797e-19, 3.04282181976012e-19, 3.0982891748292e-19, 3.1452329502053997e-19, 3.1840857335798996e-19, 3.2151839820458395e-19, 3.2388801744626997e-19, 3.2554627026245995e-19, 3.2652359800919994e-19, 3.26844033336e-19, 3.2649636100642196e-19, 3.2536522430281796e-19, 3.2329841644495798e-19, 3.20111687119932e-19, 3.15587140305516e-19, 3.0945881468046595e-19, 3.0139986621144597e-19, 2.91016159446492e-19, 2.7782063268886794e-19, 2.6120606099428797e-19, 2.40424227874674e-19, 2.1452984911596596e-19, 1.82326098772566e-19, 1.422864229475988e-19, 9.244206699320519e-20, 3.02260235063904e-20, -4.77543165353406e-20, -1.4603423452985158e-19, -2.70774259852536e-19, -4.3049044196609397e-19, -6.37179238635264e-19, -9.08131340094174e-19, -1.268903065831758e-18, -1.75843692111402e-18, -2.4382244451538796e-18, -3.4096241383480796e-18, -4.84876327807224e-18, -7.0825820282604e-18, -1.0772555034025798e-17, -1.7421748282789198e-17] 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: 0.005140519728889777 Energy: 0.005546290292699592 Energy: 0.20431180184441122 Energy: 0.26387572980402535 Energy: 0.2649420146813361 Energy: 0.07505380534701755 Energy: 0.005514403009342675 Energy: 0.005586830604363292 Energy: 0.07426859591261505 Energy: 0.05940183671225213 Energy: 0.17896621671845162 Energy: 0.15694760380958683 Energy: 0.005547688652475315 Energy: 0.02659970545095804 Energy: 0.006098782223007746 Energy: 0.23508108365200245 Energy: 0.23038329250838135 Energy: 0.23124002680958228 Energy: 0.1569114357633417 Energy: 0.026175776344336134 Energy: 0.026609446510025433 Energy: 0.00589372493434123 Energy: 0.1795585853843774 Energy: 0.23032267422379213 Energy: 0.2638598802739507 Energy: 0.2647345269801302 Energy: 0.02679616095758071 Energy: 0.005518543581839139 Energy: 0.15627455884848512 Energy: 0.07430083006257679 Energy: 0.05931480490907309 Energy: 0.17875212618922687 Energy: 0.15703548227517672 Energy: 0.005417513681389241 Energy: 0.02630900774632003 Energy: 0.006057734181321331 Energy: 0.15715411784679809 Energy: 0.26015608215054126 Energy: 0.23124634271314617 Energy: 0.15700461047575187 Energy: 0.02627115514069053 Energy: 0.026543093013453707 minimum gb energy = 0.005140519728889777 eV minimum distance = 3.4671304441293 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.29734086746436184 Energy: 0.30002868454030124 Energy: 0.31971667384401165 Energy: 0.31710230489538443 Energy: 0.31441010254997254 Energy: 0.3013262657302643 Energy: 0.2995291948880207 Energy: 0.2842620105388286 Energy: 0.2916239614291356 Energy: 0.2917637110726812 Energy: 0.3053965912137415 Energy: 0.3015952692811812 Energy: 0.30327660001454204 Energy: 0.3017292089470913 Energy: 0.3229240702566522 Energy: 0.3065626797989224 Energy: 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0.27743333341774956 Energy: 0.2861107974248921 Energy: 0.29613810134265806 Energy: 0.3103554723364515 Energy: 0.2874411998851157 Energy: 0.3139030207940108 Energy: 0.28672601144233156 Energy: 0.28074673882153184 Energy: 0.321639051317016 Energy: 0.32070106783195446 Energy: 0.28100836948149627 Energy: 0.29422154715650023 Energy: 0.32191667244281813 Energy: 0.3312888716287167 Energy: 0.32347053202737114 Energy: 0.3185882384942852 Energy: 0.28962255818557514 Energy: 0.3009435605723048 Energy: 0.2940572936348401 Energy: 0.3013828647927803 Energy: 0.2988865776578862 Energy: 0.32408453549552907 Energy: 0.3105386717121394 Energy: 0.2815716006870787 Energy: 0.2791829682322408 Energy: 0.28949399291303224 Energy: 0.3444835901420671 Energy: 0.30410932125496193 Energy: 0.2865609293918041 Energy: 0.2861601316504288 Energy: 0.28669640375102595 minimum gb energy = 0.27333451631966493 eV minimum distance = 3.14614227675667 Angstroms sigma value = 311 ======================================== theta = 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0.2882603063843472 Energy: 0.2864647430412614 Energy: 0.31269413545273 Energy: 0.2954221502463573 Energy: 0.2829227301282322 Energy: 0.29498193129871036 Energy: 0.30846478143064476 Energy: 0.28445836897224774 Energy: 0.27880237814285197 Energy: 0.295601600569332 Energy: 0.27484897502128386 Energy: 0.29651259902602106 Energy: 0.28968226078346393 Energy: 0.28677103791420033 Energy: 0.288512521094844 Energy: 0.2895175200016124 Energy: 0.2946675865439121 Energy: 0.2988663951536036 Energy: 0.28943413059346523 Energy: 0.29163520919028035 Energy: 0.2689490214188062 Energy: 0.2938849287194877 Energy: 0.28912653790909487 Energy: 0.27627021980521504 Energy: 0.30420652893114186 Energy: 0.2954331179983153 Energy: 0.2782272918046042 Energy: 0.27758044419443983 Energy: 0.29469150307510855 Energy: 0.2771041791987538 Energy: 0.2950140337539971 Energy: 0.29359150628765096 Energy: 0.31108714826845335 Energy: 0.31152445845886334 Energy: 0.29809754338785205 Energy: 0.27755208988652896 Energy: 0.270977561294185 Energy: 0.2706380975107301 Energy: 0.2830497755316 Energy: 0.2983178062763422 Energy: 0.27188939572542353 Energy: 0.28040408762664326 Energy: 0.28839159142615445 Energy: 0.28514175498378874 Energy: 0.28135540201366205 Energy: 0.2904063936136569 Energy: 0.2962084598123784 Energy: 0.29388733759338104 Energy: 0.3076943311685323 Energy: 0.2894604451545653 Energy: 0.2927759104967936 Energy: 0.29537075658091777 Energy: 0.27517851436314 Energy: 0.2953035367852015 Energy: 0.28975084708726984 Energy: 0.2959396181306204 Energy: 0.3039638161834258 Energy: 0.2990971034760189 Energy: 0.2896687654026439 Energy: 0.3161782390738676 Energy: 0.28958513533999 Energy: 0.2988326442237209 Energy: 0.2700102282459356 Energy: 0.29521195496755437 Energy: 0.28991039950856057 Energy: 0.2827497267959292 Energy: 0.30424395946712013 Energy: 0.29552714165396765 Energy: 0.2799247406694149 Energy: 0.3067257942070877 Energy: 0.28744696706018635 Energy: 0.2748079078257085 Energy: 0.2966154076835486 Energy: 0.2936348686327987 Energy: 0.2758770962770444 Energy: 0.29659710174115267 Energy: 0.2983943258774931 Energy: 0.27881711733975106 Energy: 0.27103411011769396 Energy: 0.27164103599270073 Energy: 0.2860882819156093 Energy: 0.2896392032413757 Energy: 0.2735359415996877 Energy: 0.29494796376953153 Energy: 0.29104824097450377 Energy: 0.28298397214991894 Energy: 0.272532445868252 Energy: 0.2961107777195678 Energy: 0.27403441015878993 Energy: 0.29152868148854705 Energy: 0.29633801344483435 Energy: 0.2846224425699863 Energy: 0.28021210492605003 Energy: 0.29661895817473494 Energy: 0.2752010092110601 Energy: 0.29563488175856345 Energy: 0.289804174721417 Energy: 0.3050362685472021 Energy: 0.30427288310645706 Energy: 0.30509825619859543 Energy: 0.302299492465208 Energy: 0.3162644094259812 Energy: 0.27922719606085433 Energy: 0.29700231133853994 Energy: 0.2898085372391569 Energy: 0.28959731732932303 Energy: 0.3033591363470457 Energy: 0.2807823379107169 Energy: 0.29975360852284155 Energy: 0.2761433241631625 Energy: 0.2811263546478014 Energy: 0.28543317745132296 Energy: 0.2787526398517243 Energy: 0.2748401632970878 Energy: 0.27548683874355806 Energy: 0.29404099329192407 Energy: 0.27606268429518394 Energy: 0.2720216727913592 Energy: 0.2970007029647322 Energy: 0.27180075521200014 Energy: 0.27619284174715747 Energy: 0.27160723159442984 Energy: 0.2852323142993538 Energy: 0.2745436246532868 Energy: 0.27616348928214535 Energy: 0.2953139495832968 Energy: 0.28367182654425066 Energy: 0.2957960683621527 Energy: 0.2728053273255006 Energy: 0.30116217040724874 Energy: 0.2985494244550388 Energy: 0.2934102892366668 Energy: 0.30715324812157885 Energy: 0.28477210611136206 Energy: 0.2806970994641365 Energy: 0.2970026775134461 Energy: 0.27790660922781657 Energy: 0.3111403330766357 Energy: 0.3040854276348106 Energy: 0.30494779241075487 Energy: 0.30401518759300944 Energy: 0.3062058921694747 Energy: 0.2916751701233801 Energy: 0.3157384843298476 Energy: 0.27926690694163664 Energy: 0.3092682653042721 minimum gb energy = 0.26823389481553556 eV minimum distance = 3.12662071048536 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.25532968616510365 Energy: 0.246814044095061 Energy: 0.34407675124441406 Energy: 0.322912445999192 Energy: 0.3066732278057311 Energy: 0.2860185957526998 Energy: 0.2466697580266597 Energy: 0.24160545398776692 Energy: 0.28374482272229945 Energy: 0.3068000591334573 Energy: 0.29404981869066993 Energy: 0.26847828055256406 Energy: 0.27809940139474837 Energy: 0.3120228592668528 Energy: 0.27688868724263643 Energy: 0.2653622480899324 Energy: 0.3028383213667811 Energy: 0.2915744125343011 Energy: 0.2684895735317289 Energy: 0.27555297170469834 Energy: 0.2782291476161467 Energy: 0.27091971043208773 Energy: 0.27532168130934187 Energy: 0.30059978657998243 Energy: 0.2683250448545528 Energy: 0.29465477305222626 Energy: 0.27144504754303517 Energy: 0.3093957957209739 Energy: 0.27850017680405786 Energy: 0.2683032569729136 Energy: 0.3023407793199647 Energy: 0.2723375832977162 Energy: 0.3016244975034641 Energy: 0.2548237474603862 Energy: 0.27918544124495287 Energy: 0.24186748426291638 Energy: 0.2684222855256215 Energy: 0.2819000257237851 Energy: 0.2967156046010421 Energy: 0.2797908279655421 Energy: 0.2780434867819809 Energy: 0.2783542288069391 Energy: 0.2710885939522752 Energy: 0.29252856415791945 Energy: 0.2836616236455902 Energy: 0.31510610637845526 Energy: 0.24491388399856076 Energy: 0.24237399111725175 Energy: 0.28454042133038754 Energy: 0.24211637007768086 Energy: 0.27835602002759363 Energy: 0.323714717202809 Energy: 0.28391713161777615 Energy: 0.3062444086372159 Energy: 0.2712158579537855 Energy: 0.2849183656143464 Energy: 0.2420099515895676 Energy: 0.2783925421570219 Energy: 0.3252060891000948 Energy: 0.2751586778558597 Energy: 0.28179303912481696 Energy: 0.2726945159341728 Energy: 0.2849953159656156 Energy: 0.27084071714579755 Energy: 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0.2841412387289556 Energy: 0.312467413084937 Energy: 0.2447148415517703 Energy: 0.24194487242445858 Energy: 0.28545533935336215 Energy: 0.2552826211550215 Energy: 0.2891224850374837 Energy: 0.32457580506136446 Energy: 0.2713516164300948 Energy: 0.3071285644769653 Energy: 0.28741322877574366 Energy: 0.24668301538286158 Energy: 0.2774333861250096 Energy: 0.28377855102329325 Energy: 0.3066299626462893 Energy: 0.2941451602618417 Energy: 0.26851093004599014 Energy: 0.2780971496885308 Energy: 0.31227356708794873 Energy: 0.277369571289981 Energy: 0.264828055546571 Energy: 0.30234144557045306 Energy: 0.2914225639619193 Energy: 0.2685358836837623 Energy: 0.2763216693761978 Energy: 0.2784088306573708 Energy: 0.27149230336121766 Energy: 0.2680460890537141 Energy: 0.3006083551432685 Energy: 0.2682776199168608 Energy: 0.29455292850032927 Energy: 0.27138791188519323 Energy: 0.3092598461904373 Energy: 0.2783549518815873 Energy: 0.2682665635710327 Energy: 0.3024000405567954 Energy: 0.2723985479629861 Energy: 0.3109485650543652 Energy: 0.2549618616352187 Energy: 0.27907090550592667 Energy: 0.24174473481410855 Energy: 0.26850250134487574 Energy: 0.28179742041282513 Energy: 0.29662270828095333 Energy: 0.27980862123828276 Energy: 0.24195447167258852 Energy: 0.2850773883575866 Energy: 0.27119920981552365 Energy: 0.2924727997432127 Energy: 0.28361758470631826 Energy: 0.314956080638568 Energy: 0.2451874640892761 Energy: 0.24246859582257485 Energy: 0.2845455822181919 Energy: 0.2420825595373634 Energy: 0.2896624013574932 Energy: 0.32429431214992 Energy: 0.28272884509260254 Energy: 0.30592895005533133 Energy: 0.27115736694890796 Energy: 0.2849504725736041 Energy: 0.24188017106110357 Energy: 0.2784759004009793 Energy: 0.3254583180470507 Energy: 0.2750980331792821 Energy: 0.2818954274283134 Energy: 0.2739888353983547 Energy: 0.2850173276651692 Energy: 0.27086344814457963 Energy: 0.28885895412535806 Energy: 0.3042794280707226 Energy: 0.2907148435841794 Energy: 0.268578974227967 Energy: 0.2755520544943768 Energy: 0.2777074548969128 Energy: 0.27099595159777473 Energy: 0.2762869906665298 Energy: 0.3039462308358632 Energy: 0.2749231986031752 Energy: 0.26829386369126806 Energy: 0.2710613619854416 Energy: 0.31005134276647933 Energy: 0.2803439719368098 Energy: 0.2687606916816211 Energy: 0.27449592472039575 Energy: 0.27216289483336514 Energy: 0.31413392606409124 Energy: 0.2855684761087941 Energy: 0.2806579264057234 Energy: 0.24201616716745206 Energy: 0.2684559290580742 Energy: 0.3021114207465726 Energy: 0.2777619719044661 Energy: 0.30306776058869395 Energy: 0.27117321306991193 Energy: 0.28041013501889067 Energy: 0.2754595117060829 Energy: 0.2804475900832027 Energy: 0.2823887732638066 Energy: 0.3124904337269408 Energy: 0.24630104392282867 Energy: 0.2424961117184455 Energy: 0.28455319985666544 Energy: 0.24158171330007733 Energy: 0.2887525102627026 Energy: 0.2840275524874802 Energy: 0.2969789719341145 Energy: 0.2447084100456185 Energy: 0.24188010640201701 Energy: 0.28487308438506875 minimum gb energy = 0.24158171330007733 eV minimum distance = 3.16388083003196 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.32659237356612764 Energy: 0.3012519028174429 Energy: 0.27823220733013443 Energy: 0.27090766774529523 Energy: 0.29887290439450587 Energy: 0.2862919068889056 Energy: 0.30126523996716664 Energy: 0.277566265463981 Energy: 0.2582708733596506 Energy: 0.30460836076948666 Energy: 0.32016939632401437 Energy: 0.2974773081233477 Energy: 0.2957192714520798 Energy: 0.26947678872599184 Energy: 0.3290316410945354 Energy: 0.25002070026226136 Energy: 0.2790808564803509 Energy: 0.2697135282302481 Energy: 0.29740026841261064 Energy: 0.29942274781283934 Energy: 0.2672552612692502 Energy: 0.31430072614662746 Energy: 0.2884390614660529 Energy: 0.29601452197102607 Energy: 0.29525823494174286 Energy: 0.2830764810928655 Energy: 0.26907557565679713 Energy: 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