element(s): ['Bi'] 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: ['3.2653'] model name: MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Bi'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[3.2653, 0, 0], [0, 3.2653, 0], [0, 0, 3.2653]] ========================================= Step Time Energy fmax BFGS: 0 10:42:13 -2.402083 0.018041 BFGS: 1 10:42:13 -2.402094 0.010531 BFGS: 2 10:42:13 -2.402100 0.000040 BFGS: 3 10:42:13 -2.402100 0.000000 BFGS: 4 10:42:13 -2.402100 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.0721012462926062e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Bi'] basis = [[0. 0. 0.]] cellpar = Cell([[3.2673261520802317, 9.542567839340867e-33, -4.997795496386744e-38], [1.0058720614671463e-32, 3.2673261520802317, -2.620386827349459e-19], [4.2245659478047574e-37, -2.620386827349459e-19, 3.2673261520802317]]) forces = [[0. 0. 0.]] stress = [-2.07210125e-14 -2.07210125e-14 -2.07210125e-14 1.87824325e-35 9.39624385e-38 -7.82304390e-57] energy per atom = -2.40209963850561 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0