element(s): ['C'] AFLOW prototype label: A_cF240_202_h2i Parameter names: ['a', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.9028', '0.54695135', '0.26622863', '0.59565647', '0.79644753', '0.57883118', '0.67452263', '0.34523288', '0.048719901'] model name: EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['C', 'C', 'C'] representative atom coordinates = [[0. 0.04695135 0.76622863] [0.59565647 0.79644753 0.57883118] [0.67452263 0.34523288 0.0487199 ]] spacegroup = 202 cell = [[14.9028, 0, 0], [0, 14.9028, 0], [0, 0, 14.9028]] ========================================= 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', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0. 0.04695135 0.76622863] [0. 0.95304865 0.76622863] [0. 0.04695135 0.23377137] [0. 0.95304865 0.23377137] [0.76622863 1. 0.04695135] [0.76622863 1. 0.95304865] [0.23377137 1. 0.04695135] [0.23377137 1. 0.95304865] [0.04695135 0.76622863 0. ] [0.95304865 0.76622863 0. ] [0.04695135 0.23377137 0. ] [0.95304865 0.23377137 0. ] [0. 0.54695135 0.26622863] [0. 0.45304865 0.26622863] [0. 0.54695135 0.73377137] [0. 0.45304865 0.73377137] [0.76622863 0.5 0.54695135] [0.76622863 0.5 0.45304865] [0.23377137 0.5 0.54695135] [0.23377137 0.5 0.45304865] [0.04695135 0.26622863 0.5 ] [0.95304865 0.26622863 0.5 ] [0.04695135 0.73377137 0.5 ] [0.95304865 0.73377137 0.5 ] [0.5 0.04695135 0.26622863] [0.5 0.95304865 0.26622863] [0.5 0.04695135 0.73377137] [0.5 0.95304865 0.73377137] [0.26622863 1. 0.54695135] [0.26622863 1. 0.45304865] [0.73377137 1. 0.54695135] [0.73377137 1. 0.45304865] [0.54695135 0.76622863 0.5 ] [0.45304865 0.76622863 0.5 ] [0.54695135 0.23377137 0.5 ] [0.45304865 0.23377137 0.5 ] [0.5 0.54695135 0.76622863] [0.5 0.45304865 0.76622863] [0.5 0.54695135 0.23377137] [0.5 0.45304865 0.23377137] [0.26622863 0.5 0.04695135] [0.26622863 0.5 0.95304865] [0.73377137 0.5 0.04695135] [0.73377137 0.5 0.95304865] [0.54695135 0.26622863 0. ] [0.45304865 0.26622863 0. ] [0.54695135 0.73377137 0. ] [0.45304865 0.73377137 0. ] [0.59565647 0.79644753 0.57883118] [0.40434353 0.20355247 0.57883118] [0.40434353 0.79644753 0.42116882] [0.59565647 0.20355247 0.42116882] [0.57883118 0.59565647 0.79644753] [0.57883118 0.40434353 0.20355247] [0.42116882 0.40434353 0.79644753] [0.42116882 0.59565647 0.20355247] [0.79644753 0.57883118 0.59565647] [0.20355247 0.57883118 0.40434353] [0.79644753 0.42116882 0.40434353] [0.20355247 0.42116882 0.59565647] [0.59565647 0.29644753 0.07883118] [0.40434353 0.70355247 0.07883118] [0.40434353 0.29644753 0.92116882] [0.59565647 0.70355247 0.92116882] [0.57883118 0.09565647 0.29644753] [0.57883118 0.90434353 0.70355247] [0.42116882 0.90434353 0.29644753] [0.42116882 0.09565647 0.70355247] [0.79644753 0.07883118 0.09565647] [0.20355247 0.07883118 0.90434353] [0.79644753 0.92116882 0.90434353] [0.20355247 0.92116882 0.09565647] [0.09565647 0.79644753 0.07883118] [0.90434353 0.20355247 0.07883118] [0.90434353 0.79644753 0.92116882] [0.09565647 0.20355247 0.92116882] [0.07883118 0.59565647 0.29644753] [0.07883118 0.40434353 0.70355247] [0.92116882 0.40434353 0.29644753] [0.92116882 0.59565647 0.70355247] [0.29644753 0.57883118 0.09565647] [0.70355247 0.57883118 0.90434353] [0.29644753 0.42116882 0.90434353] [0.70355247 0.42116882 0.09565647] [0.09565647 0.29644753 0.57883118] [0.90434353 0.70355247 0.57883118] [0.90434353 0.29644753 0.42116882] [0.09565647 0.70355247 0.42116882] [0.07883118 0.09565647 0.79644753] [0.07883118 0.90434353 0.20355247] [0.92116882 0.90434353 0.79644753] [0.92116882 0.09565647 0.20355247] [0.29644753 0.07883118 0.59565647] [0.70355247 0.07883118 0.40434353] [0.29644753 0.92116882 0.40434353] [0.70355247 0.92116882 0.59565647] [0.40434353 0.20355247 0.42116882] [0.59565647 0.79644753 0.42116882] [0.59565647 0.20355247 0.57883118] [0.40434353 0.79644753 0.57883118] [0.42116882 0.40434353 0.20355247] [0.42116882 0.59565647 0.79644753] [0.57883118 0.59565647 0.20355247] [0.57883118 0.40434353 0.79644753] [0.20355247 0.42116882 0.40434353] [0.79644753 0.42116882 0.59565647] [0.20355247 0.57883118 0.59565647] [0.79644753 0.57883118 0.40434353] [0.40434353 0.70355247 0.92116882] [0.59565647 0.29644753 0.92116882] [0.59565647 0.70355247 0.07883118] [0.40434353 0.29644753 0.07883118] [0.42116882 0.90434353 0.70355247] [0.42116882 0.09565647 0.29644753] [0.57883118 0.09565647 0.70355247] [0.57883118 0.90434353 0.29644753] [0.20355247 0.92116882 0.90434353] [0.79644753 0.92116882 0.09565647] [0.20355247 0.07883118 0.09565647] [0.79644753 0.07883118 0.90434353] [0.90434353 0.20355247 0.92116882] [0.09565647 0.79644753 0.92116882] [0.09565647 0.20355247 0.07883118] [0.90434353 0.79644753 0.07883118] [0.92116882 0.40434353 0.70355247] [0.92116882 0.59565647 0.29644753] [0.07883118 0.59565647 0.70355247] [0.07883118 0.40434353 0.29644753] [0.70355247 0.42116882 0.90434353] [0.29644753 0.42116882 0.09565647] [0.70355247 0.57883118 0.09565647] [0.29644753 0.57883118 0.90434353] [0.90434353 0.70355247 0.42116882] [0.09565647 0.29644753 0.42116882] [0.09565647 0.70355247 0.57883118] [0.90434353 0.29644753 0.57883118] [0.92116882 0.90434353 0.20355247] [0.92116882 0.09565647 0.79644753] [0.07883118 0.09565647 0.20355247] [0.07883118 0.90434353 0.79644753] [0.70355247 0.92116882 0.40434353] [0.29644753 0.92116882 0.59565647] [0.70355247 0.07883118 0.59565647] [0.29644753 0.07883118 0.40434353] [0.67452263 0.34523288 0.0487199 ] [0.32547737 0.65476712 0.0487199 ] [0.32547737 0.34523288 0.9512801 ] [0.67452263 0.65476712 0.9512801 ] [0.0487199 0.67452263 0.34523288] [0.0487199 0.32547737 0.65476712] [0.9512801 0.32547737 0.34523288] [0.9512801 0.67452263 0.65476712] [0.34523288 0.0487199 0.67452263] [0.65476712 0.0487199 0.32547737] [0.34523288 0.9512801 0.32547737] [0.65476712 0.9512801 0.67452263] [0.67452263 0.84523288 0.5487199 ] [0.32547737 0.15476712 0.5487199 ] [0.32547737 0.84523288 0.4512801 ] [0.67452263 0.15476712 0.4512801 ] [0.0487199 0.17452263 0.84523288] [0.0487199 0.82547737 0.15476712] [0.9512801 0.82547737 0.84523288] [0.9512801 0.17452263 0.15476712] [0.34523288 0.5487199 0.17452263] [0.65476712 0.5487199 0.82547737] [0.34523288 0.4512801 0.82547737] [0.65476712 0.4512801 0.17452263] [0.17452263 0.34523288 0.5487199 ] [0.82547737 0.65476712 0.5487199 ] [0.82547737 0.34523288 0.4512801 ] [0.17452263 0.65476712 0.4512801 ] [0.5487199 0.67452263 0.84523288] [0.5487199 0.32547737 0.15476712] [0.4512801 0.32547737 0.84523288] [0.4512801 0.67452263 0.15476712] [0.84523288 0.0487199 0.17452263] [0.15476712 0.0487199 0.82547737] [0.84523288 0.9512801 0.82547737] [0.15476712 0.9512801 0.17452263] [0.17452263 0.84523288 0.0487199 ] [0.82547737 0.15476712 0.0487199 ] [0.82547737 0.84523288 0.9512801 ] [0.17452263 0.15476712 0.9512801 ] [0.5487199 0.17452263 0.34523288] [0.5487199 0.82547737 0.65476712] [0.4512801 0.82547737 0.34523288] [0.4512801 0.17452263 0.65476712] [0.84523288 0.5487199 0.67452263] [0.15476712 0.5487199 0.32547737] [0.84523288 0.4512801 0.32547737] [0.15476712 0.4512801 0.67452263] [0.32547737 0.65476712 0.9512801 ] [0.67452263 0.34523288 0.9512801 ] [0.67452263 0.65476712 0.0487199 ] [0.32547737 0.34523288 0.0487199 ] [0.9512801 0.32547737 0.65476712] [0.9512801 0.67452263 0.34523288] [0.0487199 0.67452263 0.65476712] [0.0487199 0.32547737 0.34523288] [0.65476712 0.9512801 0.32547737] [0.34523288 0.9512801 0.67452263] [0.65476712 0.0487199 0.67452263] [0.34523288 0.0487199 0.32547737] [0.32547737 0.15476712 0.4512801 ] [0.67452263 0.84523288 0.4512801 ] [0.67452263 0.15476712 0.5487199 ] [0.32547737 0.84523288 0.5487199 ] [0.9512801 0.82547737 0.15476712] [0.9512801 0.17452263 0.84523288] [0.0487199 0.17452263 0.15476712] [0.0487199 0.82547737 0.84523288] [0.65476712 0.4512801 0.82547737] [0.34523288 0.4512801 0.17452263] [0.65476712 0.5487199 0.17452263] [0.34523288 0.5487199 0.82547737] [0.82547737 0.65476712 0.4512801 ] [0.17452263 0.34523288 0.4512801 ] [0.17452263 0.65476712 0.5487199 ] [0.82547737 0.34523288 0.5487199 ] [0.4512801 0.32547737 0.15476712] [0.4512801 0.67452263 0.84523288] [0.5487199 0.67452263 0.15476712] [0.5487199 0.32547737 0.84523288] [0.15476712 0.9512801 0.82547737] [0.84523288 0.9512801 0.17452263] [0.15476712 0.0487199 0.17452263] [0.84523288 0.0487199 0.82547737] [0.82547737 0.15476712 0.9512801 ] [0.17452263 0.84523288 0.9512801 ] [0.17452263 0.15476712 0.0487199 ] [0.82547737 0.84523288 0.0487199 ] [0.4512801 0.82547737 0.65476712] [0.4512801 0.17452263 0.34523288] [0.5487199 0.17452263 0.65476712] [0.5487199 0.82547737 0.34523288] [0.15476712 0.4512801 0.32547737] [0.84523288 0.4512801 0.67452263] [0.15476712 0.5487199 0.67452263] [0.84523288 0.5487199 0.32547737]] cellpar = Cell([14.9028, 14.9028, 14.9028]) 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.] [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.] [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.] [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.] [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.] [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.] [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.] [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.] [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.] [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.] [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.] [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