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_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 ==== 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 17:06:09 -8.583843 0.166728 BFGS: 1 17:06:09 -8.584968 0.148022 BFGS: 2 17:06:09 -8.588874 0.014832 BFGS: 3 17:06:09 -8.588908 0.001360 BFGS: 4 17:06:09 -8.588909 0.000013 BFGS: 5 17:06:09 -8.588909 0.000000 BFGS: 6 17:06:09 -8.588909 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.423301586183612e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7570311180222236, 2.1270932032556756e-33, 4.8565150158363285e-34], [2.9889997715105353e-33, 2.7570311180222236, 2.629295894247452e-19], [-4.7457108303922365e-34, 2.6292958942474567e-19, 2.7570311180222236]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.42330159e-15 8.42330159e-15 8.42330159e-15 -4.16958675e-33 1.00947491e-63 1.80067796e-63] energy per atom = -4.294454362199602 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0