element(s): ['Si'] AFLOW prototype label: A_tI4_141_a 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: ['4.8146', '0.54949529'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 141 cell = [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]] ========================================= Step Time Energy fmax BFGS: 0 16:22:59 -16.748917 2.165410 BFGS: 1 16:22:59 -16.872418 1.704707 BFGS: 2 16:22:59 -17.016357 1.045518 BFGS: 3 16:22:59 -17.099261 0.483087 BFGS: 4 16:22:59 -17.128660 0.193899 BFGS: 5 16:22:59 -17.129749 0.129938 BFGS: 6 16:22:59 -17.130057 0.079225 BFGS: 7 16:22:59 -17.130284 0.018849 BFGS: 8 16:22:59 -17.130321 0.004826 BFGS: 9 16:23:00 -17.130324 0.000839 BFGS: 10 16:23:00 -17.130324 0.000068 BFGS: 11 16:23:00 -17.130324 0.000001 BFGS: 12 16:23:00 -17.130324 0.000000 BFGS: 13 16:23:00 -17.130324 0.000000 Minimization converged after 13 steps. Maximum force component: 1.0087412450224747e-31 eV/Angstrom Maximum stress component: 2.1955990855778566e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [1.70465779e-34 5.00000000e-01 2.50000000e-01] [5.00000000e-01 0.00000000e+00 7.50000000e-01]] cellpar = Cell([[5.036234613081448, 5.747332252033257e-36, -2.2487826495673465e-36], [-9.391000045231502e-36, 5.036234613081448, -3.692027947709085e-18], [4.497380787944714e-52, -2.064844840847235e-18, 2.595425797856371]]) forces = [[ 8.68147593e-68 -4.65572882e-32 1.59955464e-32] [-5.43168363e-32 5.04370623e-32 1.59955464e-32] [-2.32786441e-32 -1.00874125e-31 7.39501067e-50] [-4.65572882e-32 3.87977402e-32 -2.84423487e-50]] stress = [-2.19559909e-11 -2.19559909e-11 2.83723650e-12 -5.19876509e-27 3.93512946e-63 -2.67093717e-63] energy per atom = -4.282581069108873 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0