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_Foiles_1985_Cu__MO_831121933939_000 ==== 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 16:53:51 -14.159998 0.0034 BFGS: 1 16:53:51 -14.159998 0.0030 BFGS: 2 16:53:51 -14.160000 0.0000 BFGS: 3 16:53:51 -14.160000 0.0000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.941304950301722e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.6149999077816584, 1.9889040735763273e-33, 4.6993420095311825e-34], [1.84636597705195e-33, 3.6149999077816584, -4.4275021937085764e-24], [1.290189934126572e-34, -4.42750219377973e-24, 3.6149999077816584]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-6.94130495e-11 -6.94130495e-11 -6.94130495e-11 -1.41280400e-27 -2.45625049e-36 -8.37151462e-53] energy per atom = -3.540000002834952 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0