element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7004']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7004, 0, 0], [0, 3.7004, 0], [0, 0, 3.7004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:29:03      -17.326165         1.309552
BFGS:    1 09:29:03      -17.395083         1.146801
BFGS:    2 09:29:03      -17.535066         0.724569
BFGS:    3 09:29:03      -17.613035         0.309215
BFGS:    4 09:29:03      -17.628390         0.041708
BFGS:    5 09:29:04      -17.628646         0.002925
BFGS:    6 09:29:04      -17.628648         0.000035
BFGS:    7 09:29:04      -17.628648         0.000000
BFGS:    8 09:29:04      -17.628648         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.9402048315451046e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.16398476e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5599695150416317, 3.079039390816441e-32, 2.0162820188549815e-33], [1.888709427775293e-32, 3.5599695150416317, 1.0193748253400733e-17], [2.491185228948542e-32, 1.0193748253400713e-17, 3.5599695150416317]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.94020483e-14  2.94020483e-14  2.94020483e-14  2.03584040e-30
  1.52348258e-61 -4.56371958e-63]
energy per atom =  -4.407161945742982
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0