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_ZhouWadleyJohnson_2001_Cu__MO_380822813353_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 17:50:10 -6.954986 0.3695 BFGS: 1 17:50:10 -6.960498 0.3259 BFGS: 2 17:50:10 -6.972046 0.1914 BFGS: 3 17:50:10 -6.975086 0.0433 BFGS: 4 17:50:10 -6.975278 0.0041 BFGS: 5 17:50:10 -6.975280 0.0001 BFGS: 6 17:50:10 -6.975280 0.0000 BFGS: 7 17:50:10 -6.975280 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2029863278567993e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.827970182332744, 2.3131481955650354e-32, -3.182610290110996e-33], [2.1938026290482103e-32, 2.8279701823327446, -1.6088893987779024e-19], [3.0307633300033557e-33, -1.6088893987779536e-19, 2.827970182332744]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.20298633e-12 1.20298633e-12 1.20298633e-12 -2.61657903e-32 8.34839363e-34 3.19518836e-52] energy per atom = -3.487639995639387 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0