element(s): ['Al'] 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: ['4.039'] model name: MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]] ========================================= Step Time Energy fmax BFGS: 0 18:43:18 -13.439711 0.034565 BFGS: 1 18:43:18 -13.439760 0.031494 BFGS: 2 18:43:18 -13.440000 0.000233 BFGS: 3 18:43:18 -13.440000 0.000002 BFGS: 4 18:43:18 -13.440000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.9586121848958525e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.14764779e-51 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([[4.044650777677468, 2.56865937181368e-37, 1.6222661362243996e-32], [1.9788211387995455e-36, 4.044650777677468, 8.142853518133112e-21], [9.780771640546535e-35, 8.142853518147336e-21, 4.044650777677468]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.95861218e-12 -4.95861218e-12 -4.95861218e-12 9.44755536e-33 5.18497678e-62 1.61613977e-64] energy per atom = -3.3600000001260284 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0