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_BorovikovMendelevKing_2016_CuZr__MO_097471813275_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 16:53:06 -13.618085 0.2169 BFGS: 1 16:53:06 -13.619980 0.1911 BFGS: 2 16:53:06 -13.626647 0.0038 BFGS: 3 16:53:06 -13.626650 0.0001 BFGS: 4 16:53:06 -13.626650 0.0000 BFGS: 5 16:53:06 -13.626650 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.132035661366489e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.70121549e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6385684017492887, 1.691431268714724e-33, -8.784635628052023e-33], [-1.1304433912154492e-33, 3.6385684017492887, -2.632786123081848e-19], [4.76304297705414e-33, -2.6327861230819756e-19, 3.6385684017492887]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.13203566e-14 -3.13203566e-14 -3.13203566e-14 -9.50440161e-30 -4.84906654e-36 -6.65626659e-52] energy per atom = -3.406662525700177 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0