Model name: model_name=EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.0320824623107905 cohesive_energy=3.3602642540255827 mass=26.981538 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=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28594921619182e-19, 5.236137544640759e-19, 5.16991958435754e-19] 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: 0.011785208538889804 Energy: 0.012587783709873318 Energy: 0.012587783709873318 Energy: 0.012587783709873318 Energy: 0.0125292432295297 Energy: 0.012641314648157225 Energy: 0.012641314648157225 Energy: 0.012641314648157225 Energy: 0.012641314648157225 Energy: 0.012452254422509901 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012505600802019966 Energy: 0.012351166047041692 Energy: 0.012074932311800677 Energy: 0.012074932311800677 Energy: 0.012074932311800677 Energy: 0.012074932311800677 Energy: 0.012229868347238377 Energy: 0.01205562950312381 Energy: 0.06795361745444194 Energy: 0.06795361745444194 Energy: 0.06795361745444194 Energy: 0.012348037946851596 Energy: 0.012178338555230137 Energy: 0.012178338555230137 Energy: 0.012178338555230137 Energy: 0.012178338555230137 Energy: 0.012309904172783064 Energy: 0.012142205973861562 Energy: 0.012142205973861562 Energy: 0.012142205973861562 Energy: 0.012142205973861562 Energy: 0.012142205973861562 Energy: 0.012142205973861562 Energy: 0.01211947051840998 Energy: 0.012182923902045303 Energy: 0.012182923902045303 Energy: 0.012182923902045303 Energy: 0.012182923902045303 Energy: 0.012220145476569367 Energy: 0.012220145476569367 Energy: 0.012220145476569367 Energy: 0.012220145476569367 Energy: 0.012220145476569367 Energy: 0.012167629105852165 Energy: 0.012438527830778675 Energy: 0.012438527830778675 Energy: 0.012438527830778675 Energy: 0.012438527830778675 Energy: 0.012275678273073728 Energy: 0.012410769144887623 Energy: 0.01246149804587914 Energy: 0.01246149804587914 Energy: 0.01246149804587914 Energy: 0.01246149804587914 Energy: 0.01246149804587914 Energy: 0.012400107325012287 Energy: 0.012400107325012287 Energy: 0.012400107325012287 Energy: 0.012400107325012287 Energy: 0.012400107325012287 minimum gb energy = 0.011785208538889804 eV minimum distance = 2.84518183610241 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.6166407304073699 Energy: 0.5322990858439018 Energy: 0.5219804175363896 Energy: 0.5173224766755549 Energy: 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Energy: 0.4807228536780056 Energy: 0.5545128932488065 Energy: 0.5950144673181148 Energy: 0.5262396214872207 Energy: 0.4766883058171718 Energy: 0.6095220834013018 Energy: 0.5808913274227484 Energy: 0.5831728966466754 Energy: 0.5329479380174809 Energy: 0.5275876313543016 Energy: 0.6098258371901577 Energy: 0.5407968845666692 Energy: 0.578217363324764 Energy: 0.573287358115288 Energy: 0.4603008402030959 Energy: 0.5570895371504573 Energy: 0.5434268940574197 Energy: 0.6099557642567575 Energy: 0.5854677430569661 Energy: 0.48202177762288473 Energy: 0.5719293144409894 Energy: 0.5375925553233196 Energy: 0.5392582293789067 Energy: 0.6578643872271902 Energy: 0.5257319475187292 Energy: 0.5388903882326528 Energy: 0.5375473596663327 Energy: 0.5299080084262544 Energy: 0.6490429085547751 Energy: 0.5442721689154376 Energy: 0.5311418089924596 Energy: 0.52768928013785 Energy: 0.5253488593049032 Energy: 0.42815427027541203 Energy: 0.6551007350445063 Energy: 0.5399109699254382 Energy: 0.5325038600746986 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