element(s): ['Al', 'Co'] AFLOW prototype label: AB3_cP4_221_a_c Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6669'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Co'] representative atom coordinates = [[0. 0. 0. ] [0. 0.5 0.5]] spacegroup = 221 cell = [[3.6669, 0, 0], [0, 3.6669, 0], [0, 0, 3.6669]] ========================================= Step Time Energy fmax BFGS: 0 13:57:51 -16.429580 0.3621 BFGS: 1 13:57:51 -16.434919 0.3258 BFGS: 2 13:57:51 -16.455705 0.0343 BFGS: 3 13:57:51 -16.455923 0.0014 BFGS: 4 13:57:51 -16.455924 0.0000 BFGS: 5 13:57:51 -16.455924 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.260181482176149e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Co', 'Co', 'Co'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.623563338128434, -1.1339152352248132e-32, 9.088617798059012e-33], [4.674093061757688e-33, 3.623563338128434, 1.3121704791911399e-19], [6.26740950514925e-34, 1.312170479191188e-19, 3.623563338128434]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.26018148e-12 -2.26018148e-12 -2.26018148e-12 -6.89393941e-28 2.34686849e-34 1.99597368e-50] energy per atom = -4.113980959119253 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0