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: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002 ==== 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 17:29:30 -6.386114 0.127573 BFGS: 1 17:29:30 -6.386585 0.044590 BFGS: 2 17:29:30 -6.386650 0.000625 BFGS: 3 17:29:30 -6.386650 0.000003 BFGS: 4 17:29:30 -6.386650 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.614724128276909e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C'] basis = [[0. 0. 0.]] cellpar = Cell([[1.769053589859032, 2.28917249232914e-36, -2.1438423497220214e-36], [-2.2481958973442626e-36, 1.769053589859032, -1.0253806046625433e-22], [-1.2989580323698466e-33, -1.0253806046625416e-22, 1.769053589859032]]) forces = [[0. 0. 0.]] stress = [ 3.61472413e-11 3.61472413e-11 3.61472413e-11 -1.60531242e-26 -4.93684091e-40 1.64435848e-55] energy per atom = -6.386650147567978 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0