element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_hP8_194_c_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1188', '0.88215988', '0.83576263']
model name:
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.83576263 0.67152526 0.25      ]]
spacegroup =  194
cell =  [[5.1188, 0, 0], [-2.5594, 4.4330108368918, 0], [0, 0, 4.5156]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:15      -33.914089         2.587467
BFGS:    1 12:33:15      -34.068305         2.540081
BFGS:    2 12:33:15      -34.267532         2.469419
BFGS:    3 12:33:16      -34.456865         2.391416
BFGS:    4 12:33:16      -34.636524         2.306429
BFGS:    5 12:33:16      -34.806584         2.214577
BFGS:    6 12:33:16      -34.967010         2.115662
BFGS:    7 12:33:17      -35.117670         2.009239
BFGS:    8 12:33:17      -35.258337         1.894940
BFGS:    9 12:33:17      -35.388831         1.774504
BFGS:   10 12:33:17      -35.509031         1.647653
BFGS:   11 12:33:17      -35.618729         1.513497
BFGS:   12 12:33:18      -35.717623         1.371906
BFGS:   13 12:33:18      -35.805398         1.222403
BFGS:   14 12:33:18      -35.881640         1.063502
BFGS:   15 12:33:18      -35.945866         0.894534
BFGS:   16 12:33:19      -35.997566         0.715250
BFGS:   17 12:33:19      -36.036267         0.526293
BFGS:   18 12:33:19      -36.061567         0.327854
BFGS:   19 12:33:19      -36.073158         0.120241
BFGS:   20 12:33:19      -36.074089         0.065553
BFGS:   21 12:33:19      -36.074260         0.062682
BFGS:   22 12:33:20      -36.075230         0.034415
BFGS:   23 12:33:20      -36.075395         0.028219
BFGS:   24 12:33:20      -36.075467         0.011381
BFGS:   25 12:33:20      -36.075478         0.002763
BFGS:   26 12:33:20      -36.075479         0.000393
BFGS:   27 12:33:20      -36.075479         0.000054
BFGS:   28 12:33:21      -36.075479         0.000004
BFGS:   29 12:33:21      -36.075479         0.000000
BFGS:   30 12:33:21      -36.075479         0.000000
BFGS:   31 12:33:21      -36.075479         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.6366621425792497e-09 eV/Angstrom
Maximum stress component: 7.529931354021456e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.83091456 0.66182912 0.25      ]
 [0.33817088 0.16908544 0.25      ]
 [0.83091456 0.16908544 0.25      ]
 [0.16908544 0.33817089 0.75      ]
 [0.66182911 0.83091456 0.75      ]
 [0.16908544 0.83091456 0.75      ]]
cellpar =  Cell([[4.852921125279963, -3.423899673281985e-17, 1.3654558589369425e-39], [-2.4264605626399813, 4.202752977054617, 4.254619197409566e-38], [8.536450150213282e-37, -2.3916725838811717e-36, 3.969580565190788]])
forces =  [[ 1.59511656e-31 -6.90705733e-32  2.60953910e-31]
 [-9.96947852e-33  1.72676433e-32 -2.60953910e-31]
 [-5.36650038e-26 -1.63666214e-09  2.60953910e-31]
 [ 1.41739099e-09  8.18331071e-10 -7.82861730e-31]
 [-1.41739099e-09  8.18331071e-10  8.01842889e-48]
 [ 3.41810239e-25  1.63666214e-09 -2.60953910e-31]
 [-1.41739099e-09 -8.18331071e-10  7.82861730e-31]
 [ 1.41739099e-09 -8.18331071e-10 -8.01842889e-48]]
stress =  [-6.51514131e-11 -6.51514131e-11  7.52993135e-11 -3.20157789e-33
 -4.26561198e-34  9.51468557e-28]
energy per atom =  -4.509434897364385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0