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 16:25:54 -58.958563 0.074907 BFGS: 1 16:25:54 -58.958793 0.068667 BFGS: 2 16:25:54 -58.960000 0.000487 BFGS: 3 16:25:54 -58.960000 0.000003 BFGS: 4 16:25:54 -58.960000 0.000000 Minimization converged after 4 steps. Maximum force component: 1.348311197694573e-30 eV/Angstrom Maximum stress component: 2.498678906505463e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 6.09877598e-33 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[3.5669999980214993, 1.846579561692021e-32, -6.13013394989322e-34], [-3.2396541351516048e-34, 3.5669999980214993, -2.4868962619393177e-20], [3.667549493787283e-34, -2.4868962619392894e-20, 3.5669999980214993]]) forces = [[-1.75866678e-31 -4.10355582e-31 -2.93111130e-31] [ 7.32777825e-32 9.67266729e-31 1.46555565e-31] [ 5.86222260e-32 -2.34488904e-31 -4.10355582e-31] [-5.56911147e-31 -4.25011138e-31 1.17244452e-31] [-2.93111130e-31 2.12505569e-31 -5.93550038e-31] [ 4.83633364e-31 -1.90522234e-31 1.90522234e-31] [ 7.18122268e-31 -2.93111130e-32 1.17244452e-31] [-2.63800017e-31 1.34831120e-30 4.39666695e-32]] stress = [ 2.49867891e-11 2.49867891e-11 2.49867891e-11 -8.31814693e-29 -4.94499995e-61 -7.38677988e-63] energy per atom = -7.36999999999597 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0