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_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002 ==== 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 16:33:41 -17.794798 0.184837 BFGS: 1 16:33:41 -17.796157 0.158451 BFGS: 2 16:33:42 -17.799997 0.004168 BFGS: 3 16:33:42 -17.800000 0.000098 BFGS: 4 16:33:42 -17.800000 0.000000 BFGS: 5 16:33:42 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.568841707618893e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.88612124e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.70913420e-36]] cellpar = Cell([[3.521391758645017, 8.749285857057294e-33, -2.644159485281721e-33], [1.3415704236627838e-32, 3.521391758645017, -5.0774655792548094e-20], [-1.7697359821305302e-33, -5.077465579254901e-20, 3.521391758645017]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.56884171e-14 -8.56884171e-14 -8.56884171e-14 5.90934999e-30 1.48842992e-34 -1.06130738e-50] energy per atom = -4.4500000005863845 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0