Model name: model_name=EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pt__MO_388062184209_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Pt Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.920000025629999 cohesive_energy=5.770453790709764 mass=195.084 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=[1.443410542630404e-19, 2.43348200231724e-19, 3.27387171214926e-19, 4.00798904584806e-19, 4.6584887810184e-19, 5.23958222440386e-19, 5.76112276230354e-19, 6.230352233103119e-19, 6.652894276787939e-19, 7.0331548791015e-19, 7.374787002769319e-19, 7.6807706963306395e-19, 7.953685464166199e-19, 8.19571026649824e-19, 8.408735671754879e-19, 8.59442794363548e-19, 8.75426108464332e-19, 8.889564901384619e-19, 9.00147693926952e-19, 9.09110270017548e-19, 9.159371446550219e-19, 9.20718039730878e-19, 9.23533064076816e-19, 9.24455917818e-19, 9.2345455742175e-19, 9.2019412797156e-19, 9.14237235246348e-19, 9.050599674867958e-19, 8.92024658392572e-19, 8.74368671885892e-19, 8.511531324592319e-19, 8.212404947024519e-19, 7.832240475308999e-19, 7.35368633649954e-19, 6.755065080738119e-19, 6.00917174877942e-19, 5.08159158652512e-19, 3.9283929106709396e-19, 2.4928426466069395e-19, 7.010147622637259e-20, -1.54468252548891e-19, -4.37483942973504e-19, -7.966871377864019e-19, -1.25657912316303e-18, -1.8516996229791598e-18, -2.6318154478401e-18, -3.67061871202668e-18, -5.08035791051694e-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: 0.023179343033601276 Energy: 0.025747476429107918 Energy: 0.33749572496392655 Energy: 0.9037916581894452 Energy: 0.8829111907701535 Energy: 0.317010150742531 Energy: 0.024766889209683455 Energy: 0.02391360620475876 Energy: 0.6508034808585406 Energy: 0.07965855978658085 Energy: 0.17395659994722806 Energy: 0.17395659994722806 Energy: 0.024671015501556082 Energy: 0.08099721374161231 Energy: 0.023662675420324738 Energy: 0.6512445875115269 Energy: 0.6512445875115269 Energy: 0.1741701061907843 Energy: 0.6499633837405208 Energy: 0.6499633837405208 Energy: 0.08133688724073673 Energy: 0.026172772977868276 Energy: 0.026172772977868276 Energy: 0.33637307716384246 Energy: 0.17456420800672698 Energy: 0.6503999311120525 Energy: 0.08033843382277518 Energy: 0.024268942780626853 Energy: 0.024268942780626853 Energy: 0.655165012168678 Energy: 0.07997969423042775 Energy: 0.07997969423042775 Energy: 0.07997969423042775 Energy: 0.024448103623239095 Energy: 0.08071360646756262 Energy: 0.02357564063510756 Energy: 0.02357564063510756 Energy: 0.02357564063510756 Energy: 0.17368405463032616 Energy: 0.6510333879190171 Energy: 0.07921175475849118 Energy: 0.07921175475849118 minimum gb energy = 0.023179343033601276 eV minimum distance = 2.74284420364287 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0768848617833635 Energy: 1.017720040840739