element(s): ['Cu'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8755'] model name: EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 16:02:15 -6.881460 0.979013 BFGS: 1 16:02:15 -6.920762 0.880405 BFGS: 2 16:02:15 -6.988680 0.123025 BFGS: 3 16:02:15 -6.989516 0.033141 BFGS: 4 16:02:15 -6.989580 0.000525 BFGS: 5 16:02:15 -6.989580 0.000002 BFGS: 6 16:02:15 -6.989580 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1355963380134566e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.960523154649421, 3.69131078984488e-33, -2.86335865618697e-33], [-1.0449961285288618e-33, 2.9605231546494215, 1.1422348882019949e-18], [4.230690790159572e-33, 1.1422348882019924e-18, 2.960523154649421]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.13559634e-11 -1.13559634e-11 -1.13559634e-11 9.34476626e-28 2.34386333e-34 -2.09288675e-50] energy per atom = -3.494789947141938 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0