element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7577']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:55:43      -67.958413        0.7888
BFGS:    1 13:55:43      -67.984895        0.7779
BFGS:    2 13:55:43      -68.097959        0.7292
BFGS:    3 13:55:43      -68.203391        0.6753
BFGS:    4 13:55:43      -68.300104        0.6127
BFGS:    5 13:55:43      -68.386751        0.5411
BFGS:    6 13:55:43      -68.462014        0.4609
BFGS:    7 13:55:43      -68.524690        0.3737
BFGS:    8 13:55:43      -68.573843        0.2807
BFGS:    9 13:55:43      -68.608612        0.1821
BFGS:   10 13:55:43      -68.628393        0.0817
BFGS:   11 13:55:43      -68.633392        0.0004
BFGS:   12 13:55:44      -68.633392        0.0000
BFGS:   13 13:55:44      -68.633392        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.7020815390732688e-30 eV/Angstrom
Maximum stress component: 5.236881609596671e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.90748219e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.81496438e-49 0.00000000e+00]
 [9.81496438e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [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]]
cellpar =  Cell([[5.577016803723343, -5.088758734312744e-32, 6.23029163324309e-33], [-3.868903852559075e-32, 5.577016803723343, 9.161462881554881e-18], [-3.318392615257694e-33, 9.16146288155488e-18, 5.577016803723343]])
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]
 [ 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]
 [ 5.72850329e-31  1.28318474e-30 -6.87420394e-32]
 [-3.50512795e-31 -1.70208154e-30 -1.49155904e-30]
 [ 5.40627498e-31  1.42066882e-30  5.95764342e-31]
 [-2.29140131e-31 -1.56620860e-30  6.64506381e-31]
 [ 4.35366250e-31  9.62388552e-31  1.48941085e-30]
 [ 1.75793445e-31 -1.42389110e-30 -4.12452237e-31]
 [ 1.14570066e-31 -1.37090244e-30 -3.47648543e-31]
 [ 3.79871374e-31  1.00821658e-30 -7.37544798e-31]]
stress =  [-5.23688161e-13 -5.23688161e-13 -5.23688161e-13  3.50530190e-30
  9.24683991e-34  1.76185369e-51]
energy per atom =  -4.289586997276174
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0