element(s): ['Co'] AFLOW prototype label: A_tI2_139_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9317', '0.99628202'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 139 cell = [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]] ========================================= Step Time Energy fmax BFGS: 0 16:17:12 -8.657629 0.258104 BFGS: 1 16:17:12 -8.659753 0.161352 BFGS: 2 16:17:13 -8.660984 0.016194 BFGS: 3 16:17:13 -8.660989 0.015229 BFGS: 4 16:17:13 -8.663279 0.282195 BFGS: 5 16:17:13 -8.677399 0.387675 BFGS: 6 16:17:13 -8.707201 0.410212 BFGS: 7 16:17:13 -8.740166 0.308533 BFGS: 8 16:17:13 -8.754965 0.195522 BFGS: 9 16:17:13 -8.755649 0.151132 BFGS: 10 16:17:13 -8.756745 0.003301 BFGS: 11 16:17:13 -8.756745 0.000144 BFGS: 12 16:17:13 -8.756745 0.000000 BFGS: 13 16:17:13 -8.756745 0.000000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.555793262513503e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.058055438116933, -1.3410093511307669e-34, -1.2654439755487189e-33], [-1.7814471718516277e-34, 3.0580554381169316, -6.25693013995417e-17], [5.497108080581014e-36, -6.697414158032857e-17, 2.544728105206172]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [7.55579326e-12 7.55579326e-12 5.27519043e-12 2.31525162e-27 3.95980434e-34 1.61091432e-49] energy per atom = -4.378372605961726 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0