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: MEAM_LAMMPS_KimLee_2008_CuZr__MO_407917731909_001 ==== 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 00:19:36 -14.159976 0.011126 BFGS: 1 00:19:36 -14.159981 0.009884 BFGS: 2 00:19:36 -14.160000 0.000021 BFGS: 3 00:19:36 -14.160000 0.000000 BFGS: 4 00:19:37 -14.160000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2788221976166557e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.60373925e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.30129163e-38]] cellpar = Cell([[3.6133156473606323, -3.375715730846329e-34, -1.406010309634679e-34], [1.1370872586690298e-33, 3.6133156473606323, -5.4430202795033985e-22], [8.483260264118061e-33, -5.443020279606179e-22, 3.6133156473606323]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [1.27882220e-14 1.27882220e-14 1.27882220e-14 2.87880402e-30 4.91708173e-35 5.46226248e-51] energy per atom = -3.5400000004225727 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0