element(s): ['Cr'] 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: ['2.8741'] model name: EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cr'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]] ========================================= Step Time Energy fmax BFGS: 0 16:00:13 -8.206502 0.023115 BFGS: 1 16:00:13 -8.206524 0.021760 BFGS: 2 16:00:13 -8.206698 0.000045 BFGS: 3 16:00:13 -8.206698 0.000000 BFGS: 4 16:00:13 -8.206698 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.6252514581761342e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8822118267848422, 2.8844702576837253e-33, 4.2324969638076433e-35], [1.0937869165501538e-32, 2.8822118267848422, 3.734286851000168e-21], [8.048919635794984e-35, 3.734286851000112e-21, 2.8822118267848422]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.62525146e-14 -1.62525146e-14 -1.62525146e-14 -8.19309609e-32 -4.94592371e-34 -1.01140541e-51] energy per atom = -4.103348830835715 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0