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_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_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 15:09:06 -14.159594 0.045091 BFGS: 1 15:09:06 -14.159676 0.040298 BFGS: 2 15:09:06 -14.160000 0.000640 BFGS: 3 15:09:06 -14.160000 0.000007 BFGS: 4 15:09:06 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3879760302395997e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.61546166e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6200000921300397, -3.698258881284581e-36, 1.9752195661070947e-33], [2.2693706114866706e-33, 3.6200000921300397, -2.6125475508129216e-20], [3.5550217209152584e-32, -2.6125475508166678e-20, 3.6200000921300397]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.38797603e-12 -1.38797603e-12 -1.38797603e-12 1.58613234e-27 3.91915152e-35 -1.32948916e-50] energy per atom = -3.539999939576936 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0