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 16:23:38 -16.748917 2.165410 BFGS: 1 16:23:38 -16.872418 1.704707 BFGS: 2 16:23:38 -17.016357 1.045518 BFGS: 3 16:23:38 -17.099261 0.483087 BFGS: 4 16:23:38 -17.128660 0.193899 BFGS: 5 16:23:38 -17.129749 0.129938 BFGS: 6 16:23:38 -17.130057 0.079225 BFGS: 7 16:23:38 -17.130284 0.018849 BFGS: 8 16:23:38 -17.130321 0.004826 BFGS: 9 16:23:38 -17.130324 0.000839 BFGS: 10 16:23:38 -17.130324 0.000068 BFGS: 11 16:23:38 -17.130324 0.000001 BFGS: 12 16:23:38 -17.130324 0.000000 BFGS: 13 16:23:38 -17.130324 0.000000 Minimization converged after 13 steps. Maximum force component: 2.095077970431295e-31 eV/Angstrom Maximum stress component: 2.1954057696135243e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 2.80789116e-33 1.19407652e-32] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [3.78071316e-34 5.00000000e-01 2.50000000e-01] [5.00000000e-01 5.50677110e-33 7.50000000e-01]] cellpar = Cell([[5.036234613081451, 4.8239913639063485e-37, -2.2487826495673488e-36], [-4.189749879186619e-37, 5.036234613081452, -3.3328776992198743e-17], [2.0551532682814373e-53, -1.776662932827156e-17, 2.595425797856374]]) forces = [[ 3.49179662e-32 6.59561583e-32 -1.08469799e-31] [ 5.04370623e-32 -9.31145765e-32 -6.39821858e-32] [-7.75954804e-33 -2.09507797e-31 1.75951011e-31] [-7.37157064e-32 1.24152769e-31 1.91946557e-31]] stress = [-2.19540577e-11 -2.19540577e-11 2.84229056e-12 4.59406330e-27 -2.94683562e-35 -1.00442469e-52] energy per atom = -4.282581069108872 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0