element(s): ['Na'] 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: ['4.1144'] model name: MEAM_LAMMPS_KimKoLee_2020_Na__MO_321355778754_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Na'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[4.1144, 0, 0], [0, 4.1144, 0], [0, 0, 4.1144]] ========================================= Step Time Energy fmax BFGS: 0 16:02:43 -2.219280 0.116558 BFGS: 1 16:02:43 -2.219849 0.111178 BFGS: 2 16:02:43 -2.225894 0.008600 BFGS: 3 16:02:43 -2.225934 0.000711 BFGS: 4 16:02:43 -2.225934 0.000005 BFGS: 5 16:02:43 -2.225934 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.598416540540011e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[4.195095804136029, 1.0150525914470502e-32, -6.88273767778519e-33], [8.201098675025118e-33, 4.195095804136029, -1.5835474889429875e-17], [8.105957990166167e-33, -1.5835474889429875e-17, 4.195095804136029]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-8.59841654e-11 -8.59841654e-11 -8.59841654e-11 -2.69925260e-27 9.11959334e-37 7.07412480e-54] energy per atom = -1.1129671983991631 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0