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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 16:18:38 -8.675972 0.019442 BFGS: 1 16:18:38 -8.675987 0.015505 BFGS: 2 16:18:38 -8.676012 0.000022 BFGS: 3 16:18:38 -8.676012 0.000000 BFGS: 4 16:18:38 -8.676012 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.914127697596815e-16 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.786312015847543, -7.37381946198283e-34, -1.2685687729523444e-33], [7.373819445686323e-34, 2.786312015847543, -9.568573762952073e-31], [3.530327733806416e-33, -9.598066540253177e-31, 2.786312015847543]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.91412770e-16 -3.91412770e-16 -3.91412770e-16 1.65382433e-35 -3.30765136e-35 4.09060086e-65] energy per atom = -4.338006188846323 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0