element(s): ['C'] AFLOW prototype label: A_oC16_65_pq Parameter names: ['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374'] model name: EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C'] representative atom coordinates = [[0.18519352 0.16660457 0. ] [0.18446938 0.41082374 0.5 ]] spacegroup = 65 cell = [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]] ========================================= 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'] basis = [[0.18519352 0.16660457 0. ] [0.81480648 0.83339543 0. ] [0.81480648 0.16660457 0. ] [0.18519352 0.83339543 0. ] [0.68519352 0.66660457 0. ] [0.31480648 0.33339543 0. ] [0.31480648 0.66660457 0. ] [0.68519352 0.33339543 0. ] [0.18446938 0.41082374 0.5 ] [0.81553062 0.58917626 0.5 ] [0.81553062 0.41082374 0.5 ] [0.18446938 0.58917626 0.5 ] [0.68446938 0.91082374 0.5 ] [0.31553062 0.08917626 0.5 ] [0.31553062 0.91082374 0.5 ] [0.68446938 0.08917626 0.5 ]] cellpar = Cell([4.2547, 8.769199999999998, 2.5140999999999996]) 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.]] 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