Model name: model_name=EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.519999861717225 cohesive_energy=4.450349981660022 mass=58.6934 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=[1.87408203055614e-19, 2.78051346124164e-19, 3.46228768430766e-19, 4.0112094208824e-19, 4.46851869752502e-19, 4.85728685776512e-19, 5.192045643673079e-19, 5.482680485080679e-19, 5.73632106800922e-19, 5.958318662416259e-19, 6.15282290578386e-19, 6.323118260211719e-19, 6.47180025184692e-19, 6.60114397150974e-19, 6.712943857030259e-19, 6.80878606327614e-19, 6.890000396853599e-19, 6.957724403172779e-19, 7.0129674535131e-19, 7.05661074502326e-19, 7.08943934425392e-19, 7.112158208924039e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.11028366226226e-19, 7.083543334240799e-19, 7.04281600420452e-19, 6.985666363669739e-19, 6.909210494695259e-19, 6.80998769575164e-19, 6.683864351123159e-19, 6.52579360441272e-19, 6.32970320617746e-19, 6.08809496977026e-19, 5.791788423078299e-19, 5.429360046701159e-19, 4.98651842506356e-19, 4.44512691866862e-19, 3.7823224669491594e-19, 2.96814436684938e-19, 1.9637879002938e-19, 7.176373448414759e-20, -8.397232043522759e-20, -2.7990826884297e-19, -5.29458494824908e-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: 0.02048007413305336 Energy: 0.027311145305824538 Energy: 0.17195805823324842 Energy: 0.17110902657338736 Energy: 0.026880945416812494 Energy: 0.022473215903945923 Energy: 0.022473215903945923 Energy: 0.1725525010682219 Energy: 0.17037993230378168 Energy: 0.02546317180022836 Energy: 0.021400986292185068 Energy: 0.16859215963990087 Energy: 0.17082245329515758 Energy: 0.1721129435240474 Energy: 0.1727131978049339 Energy: 0.1727131978049339 Energy: 0.16873635515740995 Energy: 0.17061945235892292 Energy: 0.1721363147286263 Energy: 0.1715339350619899 Energy: 0.1726602128520717 Energy: 0.021152543689132455 Energy: 0.020999178280685094 Energy: 0.16967553483611375 Energy: 0.17123542900152278 Energy: 0.17235782347786693 Energy: 0.024759528240541267 Energy: 0.02096432836464391 Energy: 0.16885910051477312 Energy: 0.17226241168259812 Energy: 0.170915109789776 Energy: 0.022696876201497834 Energy: 0.022472598919426483 Energy: 0.16866344129524488 Energy: 0.16894084843891435 Energy: 0.17191162302031152 Energy: 0.023525248155692548 Energy: 0.021402875345139294 Energy: 0.16850697488370767 Energy: 0.1688057164205329 Energy: 0.1703112248977655 Energy: 0.17011721013886863 Energy: 0.17329259907044733 Energy: 0.023344514651801908 Energy: 0.021382170513422123 Energy: 0.17011152724556017 Energy: 0.17115345588894626 Energy: 0.17311886052788744 Energy: 0.02475609563430198 Energy: 0.02475609563430198 Energy: 0.17286824152004937 Energy: 0.17009175534790397 Energy: 0.17090159650699607 Energy: 0.022234032128871744 Energy: 0.02129716751568338 Energy: 0.168535907551729 Energy: 0.16900724782446905 Energy: 0.1718068455418826 Energy: 0.023226790935069727 Energy: 0.02142686392896745 Energy: 0.021344855181249688 Energy: 0.17377081924005142 Energy: 0.17099440357322632 Energy: 0.1725415016711504 Energy: 0.17484295921536716 Energy: 0.02140041831511073 Energy: 0.17466813057315084 Energy: 0.17035730349865452 Energy: 0.17379412892585808 Energy: 0.17379412892585808 minimum gb energy = 0.02048007413305336 eV minimum distance = 2.45035982270335 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.7997891123909977