Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pt__MO_757342646688_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Pt Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.9200000882148758 cohesive_energy=5.7704537908209055 mass=195.084 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4434970601686398e-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, 7.9539097688949595e-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, -2.6318635131391197e-18, -3.6706988208583795e-18, -5.0805982370120394e-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: 0.018925853771569714 Energy: 0.019946430894589574 Energy: 0.7689843546335969 Energy: 0.7689843546335969 Energy: 0.019946430894589574 Energy: 0.019946430894589574 Energy: 0.019946430894589574 Energy: 0.019946430894589574 Energy: 0.7689843546002292 Energy: 0.7689843546002292 Energy: 0.018925853771569714 Energy: 0.01994643089405616 Energy: 0.01994643089405616 Energy: 0.01994643089405616 Energy: 0.01994643089405616 Energy: 0.01994643089405616 minimum gb energy = 0.018925853771569714 eV minimum distance = 2.76296338974943 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 1.342673584043256