element(s):
['Al', 'Fe', 'Ni']
AFLOW prototype label:
AB2C_cF16_225_a_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9354']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.9354, 0, 0], [0, 5.9354, 0], [0, 0, 5.9354]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:08      -67.227759         0.441688
BFGS:    1 17:12:08      -67.236014         0.430487
BFGS:    2 17:12:08      -67.293880         0.340786
BFGS:    3 17:12:08      -67.338179         0.249658
BFGS:    4 17:12:09      -67.368725         0.157487
BFGS:    5 17:12:09      -67.385394         0.064707
BFGS:    6 17:12:10      -67.388773         0.000111
BFGS:    7 17:12:11      -67.388773         0.000000
BFGS:    8 17:12:11      -67.388773         0.000000
Minimization converged after 8 steps.
Maximum force component: 6.244934129696843e-31 eV/Angstrom
Maximum stress component: 3.665442770161839e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.31778685e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.09639395e-67 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.09746440e-67 1.31778685e-34 5.00000000e-01]]
cellpar =  Cell([[5.845952859984709, -2.833126797483315e-32, -3.552413563888947e-33], [-2.261332072874562e-32, 5.845952859984709, 5.476165353596092e-18], [-2.0404591429836887e-33, 5.476165353596091e-18, 5.845952859984709]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.02080654e-31 -1.98156564e-31 -4.30089814e-31]
 [ 2.47695705e-32  1.51619795e-31 -9.53253166e-32]
 [-1.48617423e-31 -1.56123353e-31 -4.86384293e-31]
 [-3.00237218e-32  1.05083026e-31  3.60284661e-32]
 [-6.60521879e-32  2.40189774e-31  6.24493413e-31]
 [-1.59125725e-31 -1.71698159e-31  1.02080654e-31]
 [-1.86147075e-31 -2.84287116e-31 -1.96655378e-31]
 [-2.40189774e-32  1.26099631e-31 -2.71714682e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.66544277e-15  3.66544277e-15  3.66544277e-15 -2.76462430e-31
 -3.38127986e-35  2.57560888e-51]
energy per atom =  -4.2117983153640814
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0