element(s): ['Cu'] 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: ['2.8755'] model name: Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 17:51:34 -6.917832 0.2653 BFGS: 1 17:51:34 -6.920545 0.2117 BFGS: 2 17:51:34 -6.925119 0.0108 BFGS: 3 17:51:34 -6.925131 0.0004 BFGS: 4 17:51:34 -6.925131 0.0000 BFGS: 5 17:51:34 -6.925131 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.367272784519876e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8495436906422036, 3.10791855510938e-33, -3.498531135650116e-34], [-2.853002760605265e-33, 2.849543690642204, 2.331783260770386e-19], [-1.4825572994437465e-33, 2.3317832607703875e-19, 2.8495436906422036]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.36727278e-12 -4.36727278e-12 -4.36727278e-12 1.12165897e-27 6.32497157e-35 -8.00270657e-51] energy per atom = -3.4625652930669357 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0