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_MendelevSunZhang_2019_CuZr__MO_609260676108_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 16:53:54 -13.123923 0.2090 BFGS: 1 16:53:54 -13.125690 0.1857 BFGS: 2 16:53:54 -13.132463 0.0030 BFGS: 3 16:53:54 -13.132465 0.0001 BFGS: 4 16:53:54 -13.132465 0.0000 BFGS: 5 16:53:54 -13.132465 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.5516842765154834e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.65385723e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6390874412248686, -3.355434175495124e-33, -1.4713244984708411e-35], [2.3056761510398356e-33, 3.6390874412248686, -6.121893165942177e-20], [4.355042900668495e-36, -6.121893165942181e-20, 3.6390874412248686]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.55168428e-14 -5.55168428e-14 -5.55168428e-14 1.75725683e-31 -6.79383884e-65 -5.92595891e-63] energy per atom = -3.2831162091667885 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0