element(s): ['C'] AFLOW prototype label: A_hP4_194_bc Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.4677', '3.3769097'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0. 0. 0.25 ] [0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]] ========================================= Step Time Energy fmax BFGS: 0 15:18:17 -27.841473 0.993303 BFGS: 1 15:18:17 -27.866689 0.784758 BFGS: 2 15:18:17 -27.910184 0.097160 BFGS: 3 15:18:17 -27.910909 0.005722 BFGS: 4 15:18:17 -27.910912 0.000046 BFGS: 5 15:18:17 -27.910912 0.000000 BFGS: 6 15:18:17 -27.910912 0.000000 Minimization converged after 6 steps. Maximum force component: 4.4689765347514926e-32 eV/Angstrom Maximum stress component: 1.0651211103671152e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C'] basis = [[0.00000000e+00 0.00000000e+00 2.50000000e-01] [0.00000000e+00 9.05864951e-37 7.50000000e-01] [3.33333333e-01 6.66666667e-01 2.50000000e-01] [6.66666667e-01 3.33333333e-01 7.50000000e-01]] cellpar = Cell([[2.5119340524888107, -3.1182915441027085e-18, -4.275831220233006e-51], [-1.2559670262444054, 2.175398702086503, 3.603651526447477e-39], [-2.9752366710250203e-45, -7.485193314735437e-36, 8.333199999999998]]) forces = [[ 4.12826369e-32 -4.46897653e-32 9.27212670e-67] [-3.61223073e-32 4.48418959e-50 6.14876370e-83] [-4.12826369e-32 4.46897653e-32 -9.27212670e-67] [ 3.61223073e-32 -4.48418959e-50 -6.14876370e-83]] stress = [-1.06512111e-14 -1.06512111e-14 1.99178618e-66 -7.57786577e-50 -1.14681404e-49 -2.14338327e-30] energy per atom = -6.977727887566365 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0