element(s): ['Cu'] 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: ['3.6146'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 16:53:03 -14.159594 0.0451 BFGS: 1 16:53:03 -14.159676 0.0403 BFGS: 2 16:53:03 -14.160000 0.0006 BFGS: 3 16:53:03 -14.160000 0.0000 BFGS: 4 16:53:03 -14.160000 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3877577736162186e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.72532975e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.49444376e-39]] cellpar = Cell([[3.6200000921285684, 5.716153321943178e-34, 2.6438408756096818e-37], [2.518476038782817e-33, 3.6200000921285684, 2.960129459080475e-22], [-2.9420709742214405e-34, 2.9601294590833117e-22, 3.6200000921285684]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.38775777e-12 -1.38775777e-12 -1.38775777e-12 3.63956081e-29 1.46968182e-35 -7.20715521e-53] energy per atom = -3.539999939576851 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0