element(s): ['Fe'] 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: ['2.9647'] model name: EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]] ========================================= Step Time Energy fmax BFGS: 0 17:51:51 -7.970949 0.4130 BFGS: 1 17:51:51 -7.977868 0.3689 BFGS: 2 17:51:51 -8.008104 0.0592 BFGS: 3 17:51:51 -8.009057 0.0077 BFGS: 4 17:51:51 -8.009072 0.0003 BFGS: 5 17:51:51 -8.009072 0.0000 BFGS: 6 17:51:51 -8.009072 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.952958328655112e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.866966920023493, 1.085562070022527e-32, 1.3852934121118416e-33], [1.9221690181486166e-32, 2.8669669200234926, -6.784307249787212e-18], [-5.338204937150457e-33, -6.784307249787251e-18, 2.8669669200234926]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.95295833e-12 2.95295833e-12 2.95295833e-12 -6.30977960e-29 -1.17156159e-35 4.27887923e-52] energy per atom = -4.004536246433907 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0