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_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_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 15:09:05 -14.159998 0.003387 BFGS: 1 15:09:05 -14.159998 0.003017 BFGS: 2 15:09:05 -14.160000 0.000001 BFGS: 3 15:09:05 -14.160000 0.000000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.3211103845989892e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.73186552e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.06464153e-40 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.12928307e-40]] cellpar = Cell([[3.6150000581831, 3.409671810542723e-33, -1.831290502784565e-33], [1.7048331966068703e-33, 3.6150000581831, 1.4962706391018623e-23], [-1.4829839266591417e-33, 1.4962706389882067e-23, 3.6150000581831]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.32111038e-11 -2.32111038e-11 -2.32111038e-11 7.94267142e-28 3.93000046e-35 -5.87539844e-51] energy per atom = -3.539999767471972 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0