Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_003 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.61472986638546 cohesive_energy=3.54027843849752 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.76878552828076e-19, 3.1904143312842e-19, 3.5451362380517994e-19, 3.8490691455216e-19, 4.1124990276838794e-19, 4.34250750526092e-19, 4.54423756524786e-19, 4.721582496865319e-19, 4.8775864357179e-19, 5.01463662499026e-19, 5.13475180724124e-19, 5.23953415910484e-19, 5.3303775742526395e-19, 5.40845164162746e-19, 5.47476573250872e-19, 5.53020104404512e-19, 5.57552662102098e-19, 5.61141537762258e-19, 5.6384601192045e-19, 5.6572055858223e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65558738742196e-19, 5.633317132209359e-19, 5.599334965802219e-19, 5.84600608037286e-19, 5.795938060560359e-19, 5.72792566244706e-19, 5.6385722715688795e-19, 5.52377631574278e-19, 5.3785229821043395e-19, 5.196643890612659e-19, 4.97054472402258e-19, 4.6907726401935e-19, 4.34540744496846e-19, 3.91945276505322e-19, 3.3936023720080794e-19, 2.7429744627070197e-19, 1.93491667734912e-19, 9.2610615975102e-20, 8.87163654485016e-20, -4.76745281389674e-20, -2.2119009738350397e-19, -4.441089433550939e-19, -7.3385297455419e-19, -1.1156388490233178e-18, -1.5097983336368279e-18, -2.14374437982468e-18, -2.6998919330187602e-18, -3.4383992306947195e-18, -3.0094965457729197e-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: 0.015450903111430794 Energy: -0.5007228829952256 Energy: -0.5511498480043749 Energy: -0.2195409232893743 Energy: -0.1034587092461371 Energy: 0.016665188152461503 Energy: -0.257411445873181 Energy: -0.11679826927774664 Energy: -0.22509049094832168 Energy: -0.00931678278018527 Energy: 0.008991629481160881 Energy: 1.1039774104416602 Energy: 0.1989060111783522 Energy: 1.2082010315788005 Energy: 0.09919879955286506 Energy: -0.3117516207702511 Energy: 1.1618980967506385 Energy: -0.41805895988116526 Energy: 1.055848921203064 Energy: 0.033766897082985 Energy: 0.187683478698135 Energy: -0.38216827028743067 Energy: 0.015939040822519627 Energy: -0.042428582308943856 Energy: 0.4863705414816212 Energy: -0.802760132589601 Energy: -0.3821393951529893 Energy: 0.015964948819040835 Energy: -0.2433022927400022 Energy: -0.25875258621671304 Energy: 0.20107322737876426 Energy: 0.34683774582352295 Energy: -0.3793855002822258 Energy: 0.20990858206486307 Energy: 0.34598278276357014 Energy: -0.4384666972795978 Energy: 0.27666588507643186 Energy: -0.37836615295871834 Energy: 0.1081942765996681 Energy: 0.37431090233784003 Energy: 0.025595918068433875 Energy: -0.34769048433489463 Energy: -0.7098024434796563 Energy: -0.380961381384566 Energy: 0.016887993144367005 Energy: 0.0014518878471904218 Energy: -0.695623686981127 Energy: 0.16262423264322526 Energy: -0.38201683423960736 Energy: 0.43596371369157555 Energy: 0.28007927444780223 Energy: 0.16247466027950921 Energy: -0.017767754489035434 Energy: 0.01628369816368014 Energy: -0.38160609086106634 Energy: 0.2651523084705673 Energy: 2.6743594647187714 Energy: -0.22613156269556753 Energy: 0.016426007816831966 Energy: -0.3816253434959507 Energy: -0.38168603491147796 Energy: -0.09207106215202314 Energy: 0.2470361194308251 Energy: -0.39391873274334427 Energy: 0.4535741383702856 Energy: -0.3817057794012713 Energy: 1.0689098495083207 Energy: 0.10784279804013895 Energy: -0.27694504130572 Energy: 0.0009504091701296806 minimum gb energy = -0.802760132589601 eV minimum distance = 2.39165795544812 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.0117749141431327 Energy: -0.43494529492253037 Energy: 0.38961319709168474 Energy: -0.25023030830126175 Energy: 0.08598328732403104 Energy: 0.5489067388024822 Energy: -0.42704452016797834 Energy: 0.17677899969414756 Energy: 0.37314494675811233 Energy: -0.1613423411780844 Energy: 0.45263750983980805 Energy: 0.5165955274322993 Energy: 0.4474494209003662 Energy: 0.21057818695872707 Energy: 0.22010702112860905 Energy: 0.385856040755914 Energy: 0.6445844496807045 Energy: 0.3892971903180404 Energy: 0.32373599398074293 Energy: 0.33059514439177456 Energy: -0.019693510381108427 Energy: 0.2824484329745076 Energy: 0.9200132499063665 Energy: 0.09611088151883744 Energy: 0.1506177734367576 Energy: -0.20580163983764913 Energy: 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Energy: 0.44983020500261384 Energy: 0.5748587468337597 Energy: 0.48893502261096994 Energy: 0.4434945810683893 Energy: 0.76352936303611 Energy: 0.48940263457690397 Energy: 0.5418419408813837 Energy: 0.5468665181370149 Energy: 0.4291810866520578 Energy: 0.8031304607490323 Energy: 0.6521575436995567 Energy: 0.4701415158673071 Energy: 0.46117437919246773 Energy: 0.4394148910508104 Energy: 0.6484870979478434 Energy: 0.4222832039107774 Energy: 0.46429878139155484 Energy: 0.4568589009835827 Energy: 0.3849647295591253 Energy: 0.532835942490729 Energy: 0.39985155877859013 Energy: 0.5044855073739429 Energy: 0.5320829773446946 Energy: 0.7242629982183094 Energy: 0.6730257648288682 Energy: 0.6063167981007525 Energy: 0.5565087422995243 Energy: 0.5471840020588888 Energy: 0.6561799381813008 Energy: 0.5337536892703507 Energy: 0.5714677694341594 Energy: 1.1515988638411143 Energy: 0.4485101809952897 Energy: 0.6158765390549895 Energy: 0.6032420219326325 Energy: 0.7857305076655794 Energy: 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Energy: 0.33495978490311185 Energy: 0.37249671011402563 Energy: 0.4626426288589068 Energy: 0.6491807070231834 Energy: 0.45158406438713167 Energy: 0.3359400305206789 Energy: 0.378873249754859 Energy: 0.5786835283738543 Energy: 0.6583695715032317 Energy: 0.6036709242282688 Energy: 0.37507102597856745 Energy: 0.4738652151016811 Energy: 0.6621845586289999 Energy: 0.6031217503067836 Energy: 0.4327195726224426 Energy: 0.40633291149856615 Energy: 0.41282423197174795 Energy: 0.6730068084552375 Energy: 0.5668119635111208 Energy: 0.5642062329502884 Energy: 1.0421958331200978 Energy: 0.5013705113065191 Energy: 0.6602045497602708 Energy: 0.37470849049466987 Energy: 0.6273821614391206 Energy: 0.8310135050020956 Energy: 0.4747598053831069 Energy: 0.6446445400961535 Energy: 0.44350175330715413 Energy: 0.5062423639179687 Energy: 0.9759064689863408 Energy: 0.2341962013117427 Energy: 0.6367930213270472 Energy: 0.4928876388441079 Energy: 0.4895221662079034 Energy: 0.8912003670002029 Energy: 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Energy: 0.24697106192184665 Energy: 1.0170139830747829 Energy: 0.4510951939465478 Energy: 0.6087221046361347 Energy: 0.5076308369042407 Energy: 0.5190818206121559 minimum gb energy = 0.16650097821528406 eV minimum distance = 2.26554060634562 Angstroms sigma value = 33