element(s): ['C'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['1.774'] model name: MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]] ========================================= Step Time Energy fmax BFGS: 0 22:22:05 5.506701 18.559426 BFGS: 1 22:22:05 3.217956 12.287793 BFGS: 2 22:22:05 1.732028 7.784333 BFGS: 3 22:22:05 0.814326 4.649516 BFGS: 4 22:22:05 0.285860 2.543092 BFGS: 5 22:22:05 0.013944 1.187725 BFGS: 6 22:22:05 -0.089508 0.444008 BFGS: 7 22:22:05 -0.112060 0.146387 BFGS: 8 22:22:05 -0.115443 0.032143 BFGS: 9 22:22:05 -0.115635 0.003391 BFGS: 10 22:22:05 -0.115637 0.000094 BFGS: 11 22:22:05 -0.115637 0.000000 BFGS: 12 22:22:05 -0.115637 0.000000 Minimization converged after 12 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.4032905473680085e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[2.371659505319, -1.1148243946183273e-33, 1.0196600592631569e-33], [4.247586571467074e-33, 2.371659505319, 1.0741538439568957e-17], [-5.946626000650125e-33, 1.0741538439568962e-17, 2.371659505319]]) forces = [[0. 0. 0.]] stress = [-2.40329055e-12 -2.40329055e-12 -2.40329055e-12 -3.03106069e-28 -2.28267746e-35 -3.89295824e-51] energy per atom = -0.1156372130109336 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0