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: MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001 ==== 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 00:24:21 -8.533836 0.044412 BFGS: 1 00:24:21 -8.533909 0.032509 BFGS: 2 00:24:21 -8.533994 0.000197 BFGS: 3 00:24:21 -8.533994 0.000001 BFGS: 4 00:24:21 -8.533994 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.201774121107375e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.787710554918835, -9.091604409893365e-34, 2.4093317773339698e-34], [-1.7270602780638594e-34, 2.787710554918835, -7.282250720763794e-22], [-1.4643033939097916e-33, -7.2822507207453495e-22, 2.787710554918835]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.20177412e-12 -2.20177412e-12 -2.20177412e-12 -4.90723454e-28 -4.54345846e-35 -7.91714558e-51] energy per atom = -4.2669968711617665 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0