element(s): ['Co'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5722'] 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 = 225 cell = [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]] ========================================= Step Time Energy fmax BFGS: 0 15:14:41 -17.629189 0.291626 BFGS: 1 15:14:41 -17.632525 0.242180 BFGS: 2 15:14:41 -17.639998 0.003298 BFGS: 3 15:14:41 -17.640000 0.000070 BFGS: 4 15:14:41 -17.640000 0.000000 BFGS: 5 15:14:41 -17.640000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.552119450126352e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.01156595e-51 5.00000000e-01 5.00000000e-01] [5.00000000e-01 6.46728864e-42 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.46728864e-42]] cellpar = Cell([[3.549999904581152, -2.175683151331413e-34, -1.3513124434584036e-35], [-1.4671335397304737e-34, 3.549999904581152, -1.9315156554058094e-25], [1.7343725222741938e-34, -1.9315156554181167e-25, 3.549999904581152]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 3.55211945e-14 3.55211945e-14 3.55211945e-14 1.26762139e-30 -2.03761693e-35 -1.38728320e-51] energy per atom = -4.409999958753147 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0