element(s): ['C'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5727'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]] ========================================= Step Time Energy fmax BFGS: 0 14:52:24 -58.958563 0.074907 BFGS: 1 14:52:24 -58.958793 0.068667 BFGS: 2 14:52:24 -58.960000 0.000487 BFGS: 3 14:52:25 -58.960000 0.000003 BFGS: 4 14:52:25 -58.960000 0.000000 Minimization converged after 4 steps. Maximum force component: 4.10355581907044e-31 eV/Angstrom Maximum stress component: 2.498648657152034e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0. 0. 0. ] [0. 0.5 0.5 ] [0.5 0.5 0. ] [0.5 0. 0.5 ] [0.75 0.25 0.75] [0.25 0.25 0.25] [0.25 0.75 0.75] [0.75 0.75 0.25]] cellpar = Cell([[3.5669999980214997, -2.8795795755925913e-34, -2.359243331339034e-34], [-4.250069248072908e-39, 3.5669999980214997, 2.5098562577034117e-20], [-8.026403138943581e-33, 2.509856257704333e-20, 3.5669999980214997]]) forces = [[-5.86222260e-32 3.73716691e-31 -2.93111130e-32] [-1.31900008e-31 -5.86222260e-32 -2.61968072e-31] [-4.10355582e-31 3.51733356e-31 5.86222260e-32] [ 5.86222260e-32 -2.49144460e-31 -1.46555565e-32] [ 5.86222260e-32 -5.86222260e-32 -7.32777825e-33] [ 5.86222260e-32 1.75866678e-31 -5.86222260e-32] [ 1.90522234e-31 2.93111130e-32 7.32777825e-32] [ 2.34488904e-31 4.12484892e-52 5.86222260e-32]] stress = [ 2.49864866e-11 2.49864866e-11 2.49864866e-11 5.87864382e-27 -7.52558701e-60 -5.74623772e-62] energy per atom = -7.369999999995966 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0