element(s): ['C'] AFLOW prototype label: A_cP1_221_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['1.774'] model name: Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 221 cell = [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]] ========================================= Step Time Energy fmax BFGS: 0 10:41:47 -6.386114 0.127573 BFGS: 1 10:41:47 -6.386585 0.044590 BFGS: 2 10:41:47 -6.386650 0.000625 BFGS: 3 10:41:47 -6.386650 0.000003 BFGS: 4 10:41:47 -6.386650 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.614213008896542e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.7690535898590274, -1.1689993616010505e-33, 3.235889847907328e-34], [8.877108392859858e-39, 1.7690535898590274, -1.487250448915473e-21], [-2.3885230021490887e-34, -1.4872504489142399e-21, 1.7690535898590274]]) forces = [[0. 0. 0.]] stress = [ 3.61421301e-11 3.61421301e-11 3.61421301e-11 -1.97230677e-27 -3.78189482e-40 2.36219797e-56] energy per atom = -6.386650147567976 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0