element(s): ['Cr'] 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: ['2.8741'] model name: EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cr'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]] ========================================= Step Time Energy fmax BFGS: 0 16:50:41 -7.020255 0.333366 BFGS: 1 16:50:41 -7.024843 0.308653 BFGS: 2 16:50:41 -7.043849 0.108757 BFGS: 3 16:50:41 -7.045272 0.031350 BFGS: 4 16:50:41 -7.045420 0.002194 BFGS: 5 16:50:41 -7.045421 0.000043 BFGS: 6 16:50:41 -7.045421 0.000000 BFGS: 7 16:50:41 -7.045421 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1786881770749349e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.9385732566625045, -1.5789465808065068e-33, 9.429358963283994e-33], [-2.590105059174372e-32, 2.9385732566625045, -3.524684450011015e-18], [-8.27282349967032e-34, -3.524684450011007e-18, 2.9385732566625045]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.17868818e-13 -1.17868818e-13 -1.17868818e-13 5.63074925e-31 1.18950472e-34 -3.52081734e-51] energy per atom = -3.5227102564283843 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0