element(s): ['C'] AFLOW prototype label: A_hP4_194_f Parameter names: ['a', 'c/a', 'z1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5124', '1.6642254', '0.062750617'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.33333333 0.66666667 0.06275062]] spacegroup = 194 cell = [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]] ========================================= Step Time Energy fmax BFGS: 0 15:30:49 -29.377396 1.591962 BFGS: 1 15:30:49 -29.428443 0.458966 BFGS: 2 15:30:49 -29.432929 0.362517 BFGS: 3 15:30:49 -29.436645 0.142805 BFGS: 4 15:30:49 -29.437972 0.107338 BFGS: 5 15:30:49 -29.438831 0.002362 BFGS: 6 15:30:49 -29.438831 0.000879 BFGS: 7 15:30:49 -29.438831 0.000730 BFGS: 8 15:30:49 -29.438831 0.000003 BFGS: 9 15:30:49 -29.438831 0.000000 BFGS: 10 15:30:49 -29.438831 0.000000 Minimization converged after 10 steps. Maximum force component: 1.5902396829914345e-09 eV/Angstrom Maximum stress component: 1.1272263676924833e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C'] basis = [[0.33333333 0.66666667 0.06744715] [0.66666666 0.33333334 0.56744715] [0.66666666 0.33333334 0.93255285] [0.33333333 0.66666667 0.43255285]] cellpar = Cell([[2.503252499979084, 1.836631777185072e-18, 6.166682084479598e-39], [-1.251626249989542, 2.167880257068792, 1.8989930970701395e-38], [-7.395216329732783e-37, -3.1211293179890076e-36, 4.149351075708759]]) forces = [[ 2.46839754e-31 -2.85025997e-31 1.59023968e-09] [-1.54274846e-31 -1.78141248e-32 1.59023968e-09] [-8.22799180e-32 1.19611311e-45 -1.59023968e-09] [ 3.18834682e-31 1.78141248e-32 -1.59023968e-09]] stress = [ 3.19461196e-11 3.19461196e-11 -1.12722637e-10 -1.33418570e-47 -7.37218782e-48 4.36224799e-27] energy per atom = -7.359707848669145 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0