element(s): ['N'] AFLOW prototype label: A_cP8_205_c Parameter names: ['a', 'x1'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.8863', '0.054565089'] model name: MEAM_LAMMPS_LeeLeeKim_2006_FeN__MO_432861766738_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['N'] representative atom coordinates = [[0.05456509 0.05456509 0.05456509]] spacegroup = 205 cell = [[5.8863, 0, 0], [0, 5.8863, 0], [0, 0, 5.8863]] ========================================= Step Time Energy fmax BFGS: 0 14:24:52 -38.952755 3.3776 BFGS: 1 14:24:52 -33.376824 38.5675 BFGS: 2 14:24:52 -39.027357 1.3228 BFGS: 3 14:24:52 -39.038250 0.4975 BFGS: 4 14:24:52 -39.039999 0.0129 BFGS: 5 14:24:52 -39.040000 0.0001 BFGS: 6 14:24:52 -39.040000 0.0000 BFGS: 7 14:24:52 -39.040000 0.0000 Minimization converged after 7 steps. Maximum force component: 1.672736023768569e-14 eV/Angstrom Maximum stress component: 2.0852378326155675e-16 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N'] basis = [[0.0539611 0.0539611 0.0539611] [0.4460389 0.9460389 0.5539611] [0.9460389 0.5539611 0.4460389] [0.5539611 0.4460389 0.9460389] [0.9460389 0.9460389 0.9460389] [0.5539611 0.0539611 0.4460389] [0.0539611 0.4460389 0.5539611] [0.4460389 0.5539611 0.0539611]] cellpar = Cell([[5.884658755072903, 1.8023832244092636e-34, 0.0], [8.147707707845149e-36, 5.884658755072903, 0.0], [0.0, 0.0, 5.884658755072903]]) forces = [[ 1.67273602e-14 1.67273602e-14 1.67273602e-14] [-1.67273602e-14 -1.67273602e-14 1.67273602e-14] [-1.67273602e-14 1.67273602e-14 -1.67273602e-14] [ 1.67273602e-14 -1.67273602e-14 -1.67273602e-14] [-1.67273602e-14 -1.67273602e-14 -1.67273602e-14] [ 1.67273602e-14 1.67273602e-14 -1.67273602e-14] [ 1.67273602e-14 -1.67273602e-14 1.67273602e-14] [-1.67273602e-14 1.67273602e-14 1.67273602e-14]] stress = [-2.08523783e-16 -2.08523783e-16 -2.08523783e-16 0.00000000e+00 0.00000000e+00 -2.84085344e-67] energy per atom = -4.88000000300959 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0