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_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_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 16:04:46 -8.800685 0.192433 BFGS: 1 16:04:46 -8.802058 0.140606 BFGS: 2 16:04:46 -8.803660 0.003376 BFGS: 3 16:04:46 -8.803661 0.000062 BFGS: 4 16:04:46 -8.803661 0.000000 BFGS: 5 16:04:46 -8.803661 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.158697887894226e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7988707970957045, -1.7955227189715278e-34, -1.7027876413638045e-34], [-1.468511133105582e-33, 2.7988707970957045, 7.182179145330254e-21], [-6.173720116361983e-33, 7.1821791453376e-21, 2.7988707970957045]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.15869789e-14 -2.15869789e-14 -2.15869789e-14 1.37087890e-29 -1.02438578e-34 2.66222544e-50] energy per atom = -4.401830441032552 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0