element(s): ['Ni'] 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: ['2.7844'] model name: EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 16:18:38 -8.583843 0.166728 BFGS: 1 16:18:38 -8.584968 0.148022 BFGS: 2 16:18:38 -8.588874 0.014832 BFGS: 3 16:18:38 -8.588908 0.001360 BFGS: 4 16:18:38 -8.588909 0.000013 BFGS: 5 16:18:38 -8.588909 0.000000 BFGS: 6 16:18:38 -8.588909 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.769857777317872e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.757031115925904, 1.7395733608264868e-33, -2.345905834272776e-35], [3.127930819938841e-35, 2.757031115925904, -7.09756027879275e-19], [2.4162283584210275e-35, -7.097560278792751e-19, 2.757031115925904]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.76985778e-15 8.76985778e-15 8.76985778e-15 -2.69931142e-34 -2.70262552e-34 6.07763229e-53] energy per atom = -4.294454362203789 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0