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_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005 ==== 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 16:53:04 -14.160872 0.0028 BFGS: 1 16:53:04 -14.160872 0.0025 BFGS: 2 16:53:04 -14.160873 0.0000 BFGS: 3 16:53:04 -14.160873 0.0000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.0526478451984917e-11 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 1.01618147e-40 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.01618147e-40]] cellpar = Cell([[3.614925055114969, -2.308669934895325e-33, 2.191235610225659e-37], [-2.841359967775164e-34, 3.614925055114969, -3.867408164284584e-24], [2.2578355154250122e-33, -3.867408166557745e-24, 3.614925055114969]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.05264785e-11 -2.05264785e-11 -2.05264785e-11 6.46226930e-27 2.45635221e-36 -2.66316194e-52] energy per atom = -3.5402233302154396 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0