element(s): ['Ni'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.7844'] model name: EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 16:04:47 -8.760982 0.161624 BFGS: 1 16:04:47 -8.761990 0.129408 BFGS: 2 16:04:47 -8.763738 0.005176 BFGS: 3 16:04:47 -8.763741 0.000159 BFGS: 4 16:04:47 -8.763741 0.000000 BFGS: 5 16:04:47 -8.763741 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.431669944601371e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7687549763879953, 1.0191666436775757e-33, 1.230812433582339e-33], [3.0597373678323704e-33, 2.7687549763879953, 3.727898826115844e-21], [-1.3530989155256553e-33, 3.727898826117882e-21, 2.7687549763879953]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.43166994e-13 -6.43166994e-13 -6.43166994e-13 -9.90702109e-31 -1.67486643e-35 1.73354434e-53] energy per atom = -4.354608938326132 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0