element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] 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 = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 16:33:43 -17.794819 0.183861 BFGS: 1 16:33:43 -17.796165 0.157833 BFGS: 2 16:33:43 -17.799998 0.003622 BFGS: 3 16:33:43 -17.800000 0.000074 BFGS: 4 16:33:43 -17.800000 0.000000 BFGS: 5 16:33:43 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.172985210899848e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.16583637e-48 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.5213917627973617, -2.4970950753457763e-33, -2.818347318065532e-33], [1.9021763850091457e-32, 3.5213917627973617, 3.0597489789365656e-18], [-4.132636105825951e-33, 3.0597489789365687e-18, 3.5213917627973617]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.17298521e-14 -3.17298521e-14 -3.17298521e-14 2.08880043e-30 -7.76572133e-36 -1.40077461e-52] energy per atom = -4.4500000002363915 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0