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 14:57:17 -8.657629 0.258104 BFGS: 1 14:57:17 -8.659753 0.161352 BFGS: 2 14:57:18 -8.660984 0.016194 BFGS: 3 14:57:18 -8.660989 0.015229 BFGS: 4 14:57:18 -8.663279 0.282195 BFGS: 5 14:57:18 -8.677399 0.387675 BFGS: 6 14:57:18 -8.707201 0.410212 BFGS: 7 14:57:18 -8.740166 0.308533 BFGS: 8 14:57:18 -8.754965 0.195522 BFGS: 9 14:57:18 -8.755649 0.151132 BFGS: 10 14:57:18 -8.756745 0.003301 BFGS: 11 14:57:18 -8.756745 0.000144 BFGS: 12 14:57:18 -8.756745 0.000000 BFGS: 13 14:57:19 -8.756745 0.000000 Minimization converged after 13 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.556176326109475e-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, -6.63047331972928e-39, 7.144916405142974e-34], [-2.87242282474853e-35, 3.0580554381169316, -1.148074260296354e-17], [4.028806486610927e-33, -1.0756554638052575e-17, 2.544728105206173]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.55617633e-12 7.55617633e-12 5.27607640e-12 2.19551104e-27 -1.23743886e-35 2.73782379e-51] 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