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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 15:51:26 -8.220959 0.706086 BFGS: 1 15:51:26 -8.241199 0.628862 BFGS: 2 15:51:26 -8.288317 0.090785 BFGS: 3 15:51:26 -8.288928 0.026429 BFGS: 4 15:51:26 -8.288984 0.000114 BFGS: 5 15:51:26 -8.288984 0.000000 BFGS: 6 15:51:26 -8.288984 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.1053992853760544e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.794781369121689, -2.4576756342546874e-33, 1.6002252131877067e-34], [-2.764368180213774e-33, 2.794781369121689, -1.011617182440169e-18], [-3.9531160083995e-34, -1.0116171824401688e-18, 2.794781369121689]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 5.10539929e-14 5.10539929e-14 5.10539929e-14 -6.96726128e-32 8.25195032e-63 -1.41574581e-63] energy per atom = -4.144491911319323 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0