element(s): ['Ni'] 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: ['3.5048'] model name: EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 15:30:09 -17.379629 0.141041 BFGS: 1 15:30:09 -17.380425 0.122363 BFGS: 2 15:30:09 -17.382897 0.003446 BFGS: 3 15:30:09 -17.382899 0.000084 BFGS: 4 15:30:09 -17.382899 0.000000 BFGS: 5 15:30:09 -17.382899 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.93727680563334e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5184747029729126, 5.043640881216256e-34, -9.448979763236598e-36], [2.539727449381949e-35, 3.5184747029729126, 2.3915964880913413e-21], [1.2979441750941798e-34, 2.3915964880909806e-21, 3.5184747029729126]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-9.93727681e-15 -9.93727681e-15 -9.93727681e-15 8.55820187e-31 1.40376767e-64 -1.37337853e-65] energy per atom = -4.3457246733270125 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0