element(s): ['C'] AFLOW prototype label: A_hR4_166_2c Parameter names: ['a', 'c/a', 'x1', 'x2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.467734', '14.757233', '0.94637264', '0.72030293'] model name: EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0. 0. 0.44637264] [0. 0. 0.22030293]] spacegroup = 166 cell = [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]] ========================================= Minimization stalled after 0 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[2.80600346e-31 5.61200693e-31 4.46372640e-01] [0.00000000e+00 1.03900403e-16 5.53627360e-01] [6.66666667e-01 3.33333333e-01 7.79705973e-01] [6.66666667e-01 3.33333333e-01 8.86960693e-01] [3.33333333e-01 6.66666667e-01 1.13039307e-01] [3.33333333e-01 6.66666667e-01 2.20294027e-01] [1.14897458e-17 2.76975213e-31 2.20302930e-01] [1.00000000e+00 9.80271855e-31 7.79697070e-01] [6.66666667e-01 3.33333333e-01 5.53636263e-01] [6.66666667e-01 3.33333333e-01 1.13030403e-01] [3.33333333e-01 6.66666667e-01 8.86969597e-01] [3.33333333e-01 6.66666667e-01 4.46363737e-01]] cellpar = Cell([[2.4677000000000175, 0.0, 0.0], [-1.2338500000000088, 2.137090888918874, 0.0], [1.0947644252537633e-47, -2.686851253493066e-30, 36.4169]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0