Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_003 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=3.61472986638546 cohesive_energy=3.54027843849752 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=[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: 0.016726093260405132 Energy: 0.6305458438204397 Energy: 0.6560748813601976 Energy: 0.7404494069419134 Energy: 0.6198571265575072 Energy: 1.4950836143864368 Energy: -0.2651789184247879 Energy: 0.12332762148406415 Energy: -0.37975639590431254 Energy: 0.3295472703248022 Energy: 0.3890754951775066 Energy: 0.145815463484595 Energy: -0.1262320516369354 Energy: -0.7079659718195755 Energy: -0.028938413973796134 Energy: 0.43077565063629375 Energy: 0.5072713828188182 Energy: 0.37330893743735555 Energy: 0.1916481448969622 Energy: -0.002660395423519036 Energy: -0.6497811454416875 Energy: 0.01904542133293746 Energy: 0.7040889046994642 Energy: 0.9105819033501885 Energy: 0.8725982158641251 Energy: 0.4476939103674561 Energy: -0.5466446863470592 Energy: -0.3755954127769908 Energy: -0.5573249152215481 Energy: -0.3262081762429809 Energy: 0.3801169924244563 Energy: 0.3296125399668724 Energy: 0.2612612765235921 Energy: -0.12909481945678186 Energy: -0.7157493391090751 Energy: -0.04675102973233142 Energy: 0.2347702859515945 Energy: 0.5609856869636434 Energy: 0.31844895633908576 Energy: 0.17394559074907148 Energy: -0.2859096012951573 Energy: -0.71153771145807 minimum gb energy = -0.7157493391090751 eV minimum distance = 2.49416288000281 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.5246762928462391 Energy: 0.4979540707668423 Energy: 0.6046184459427952 Energy: 0.6587711880647962 Energy: 0.6072165423143547 Energy: 0.6111928366361391 Energy: 0.4596335018705448 Energy: 0.5092619521744316 Energy: 0.43848430385948234 Energy: 0.6316725841931794 Energy: 0.5005037904440864 Energy: 0.45785450198309835 Energy: 0.559272564564271 Energy: 0.5002435880263116 Energy: 0.5976806739488416 Energy: 0.4750393580090669 Energy: 0.605286693660294 Energy: 0.5611803146139163 Energy: 0.5786729071331017 Energy: 0.5061542840411238 Energy: 0.5517320095477672 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