element(s): ['C'] AFLOW prototype label: A_cI16_229_f Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.8764', '0.16261302'] model name: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0.16261302 0.16261302 0.16261302]] spacegroup = 229 cell = [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]] ========================================= Step Time Energy fmax BFGS: 0 16:42:38 -104.657665 7.582787 BFGS: 1 16:42:38 -108.430636 1.758018 BFGS: 2 16:42:38 -108.645998 0.563252 BFGS: 3 16:42:38 -108.660102 0.540076 BFGS: 4 16:42:38 -108.730475 0.399373 BFGS: 5 16:42:38 -108.779871 0.262397 BFGS: 6 16:42:38 -108.809370 0.129301 BFGS: 7 16:42:38 -108.819251 0.016975 BFGS: 8 16:42:38 -108.819276 0.005607 BFGS: 9 16:42:38 -108.819279 0.000630 BFGS: 10 16:42:38 -108.819279 0.000028 BFGS: 11 16:42:38 -108.819279 0.000002 BFGS: 12 16:42:38 -108.819279 0.000000 BFGS: 13 16:42:38 -108.819279 0.000000 Minimization converged after 13 steps. Maximum force component: 4.087725505308448e-10 eV/Angstrom Maximum stress component: 2.9031220018863636e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.17021309 0.17021309 0.17021309] [0.82978691 0.82978691 0.17021309] [0.82978691 0.17021309 0.82978691] [0.17021309 0.82978691 0.82978691] [0.17021309 0.17021309 0.82978691] [0.82978691 0.82978691 0.82978691] [0.17021309 0.82978691 0.17021309] [0.82978691 0.17021309 0.17021309] [0.67021309 0.67021309 0.67021309] [0.32978691 0.32978691 0.67021309] [0.32978691 0.67021309 0.32978691] [0.67021309 0.32978691 0.32978691] [0.67021309 0.67021309 0.32978691] [0.32978691 0.32978691 0.32978691] [0.67021309 0.32978691 0.67021309] [0.32978691 0.67021309 0.67021309]] cellpar = Cell([[4.945042520519577, -3.6072753780868566e-32, -2.0757912736046755e-33], [1.3672754157966216e-32, 4.945042520519577, 5.107354530988619e-19], [4.452990808046149e-33, 5.107354530988649e-19, 4.945042520519577]]) forces = [[-4.08772551e-10 -4.08772551e-10 -4.08772551e-10] [ 4.08772551e-10 4.08772551e-10 -4.08772551e-10] [ 4.08772551e-10 -4.08772551e-10 4.08772551e-10] [-4.08772551e-10 4.08772551e-10 4.08772551e-10] [-4.08772551e-10 -4.08772551e-10 4.08772551e-10] [ 4.08772551e-10 4.08772551e-10 4.08772551e-10] [-4.08772551e-10 4.08772551e-10 -4.08772551e-10] [ 4.08772551e-10 -4.08772551e-10 -4.08772551e-10] [-4.08772551e-10 -4.08772551e-10 -4.08772551e-10] [ 4.08772551e-10 4.08772551e-10 -4.08772551e-10] [ 4.08772551e-10 -4.08772551e-10 4.08772551e-10] [-4.08772551e-10 4.08772551e-10 4.08772551e-10] [-4.08772551e-10 -4.08772551e-10 4.08772551e-10] [ 4.08772551e-10 4.08772551e-10 4.08772551e-10] [-4.08772551e-10 4.08772551e-10 -4.08772551e-10] [ 4.08772551e-10 -4.08772551e-10 -4.08772551e-10]] stress = [-2.90312200e-11 -2.90312200e-11 -2.90312200e-11 -2.09877434e-28 6.72077159e-34 2.72966426e-51] energy per atom = -6.801204912230682 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0