element(s): ['C'] AFLOW prototype label: A_cP20_221_gj Parameter names: ['a', 'x1', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.215', '0.26228631', '0.15146094'] model name: EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.26228631 0.26228631 0.26228631] [0.5 0.15146094 0.15146094]] spacegroup = 221 cell = [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]] ========================================= 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', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.26228631 0.26228631 0.26228631] [0.73771369 0.73771369 0.26228631] [0.73771369 0.26228631 0.73771369] [0.26228631 0.73771369 0.73771369] [0.26228631 0.26228631 0.73771369] [0.73771369 0.73771369 0.73771369] [0.26228631 0.73771369 0.26228631] [0.73771369 0.26228631 0.26228631] [0.5 0.15146094 0.15146094] [0.5 0.84853906 0.15146094] [0.5 0.15146094 0.84853906] [0.5 0.84853906 0.84853906] [0.15146094 0.5 0.15146094] [0.15146094 0.5 0.84853906] [0.84853906 0.5 0.15146094] [0.84853906 0.5 0.84853906] [0.15146094 0.15146094 0.5 ] [0.84853906 0.15146094 0.5 ] [0.15146094 0.84853906 0.5 ] [0.84853906 0.84853906 0.5 ]] cellpar = Cell([5.215, 5.215, 5.215]) 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.] [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