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_Wagner_2007_Ni__MO_444394830472_002 ==== 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 18:06:59 -8.727042 0.3553 BFGS: 1 18:06:59 -8.731905 0.2831 BFGS: 2 18:06:59 -8.739982 0.0176 BFGS: 3 18:06:59 -8.740011 0.0008 BFGS: 4 18:06:59 -8.740011 0.0000 BFGS: 5 18:06:59 -8.740011 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.4035970654146873e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7511546135342195, 3.0767921658835518e-33, -1.2158275478156758e-34], [-1.9254684275004961e-34, 2.7511546135342195, 6.581204077178675e-19], [1.151176317356787e-33, 6.581204077178669e-19, 2.7511546135342195]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.40359707e-11 -2.40359707e-11 -2.40359707e-11 -1.95472067e-27 -1.23016786e-46 -7.89863061e-61] energy per atom = -4.370005590365414 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0