element(s):
['Cr', 'Fe']
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:
['4.2505']
model name:
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.2505, 0, 0], [0, 4.2505, 0], [0, 0, 4.2505]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:25:31      -12.570159         2.562084
BFGS:    1 09:25:31      -12.855636         2.634108
BFGS:    2 09:25:31      -13.256254         2.703172
BFGS:    3 09:25:31      -13.665740         2.753925
BFGS:    4 09:25:31      -14.081261         2.780980
BFGS:    5 09:25:32      -14.498344         2.774768
BFGS:    6 09:25:32      -14.912407         2.742778
BFGS:    7 09:25:32      -15.319997         2.687409
BFGS:    8 09:25:32      -15.717116         2.596376
BFGS:    9 09:25:32      -16.093190         2.392501
BFGS:   10 09:25:32      -16.426348         2.020795
BFGS:   11 09:25:32      -16.691578         1.493369
BFGS:   12 09:25:32      -16.868483         0.846688
BFGS:   13 09:25:32      -16.948261         0.238428
BFGS:   14 09:25:32      -16.956049         0.028292
BFGS:   15 09:25:32      -16.956164         0.000736
BFGS:   16 09:25:32      -16.956164         0.000002
BFGS:   17 09:25:32      -16.956164         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1351298916366997e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.50958791e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5503260169950055, -1.146448432432318e-32, -3.214196736075882e-33], [1.5508562042024822e-32, 3.5503260169950055, -9.189726820119555e-18], [2.780221400509503e-33, -9.189726820119564e-18, 3.5503260169950055]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.13512989e-12  3.13512989e-12  3.13512989e-12  9.82413780e-29
  4.07448523e-35 -4.13085318e-52]
energy per atom =  -4.239041066568559
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0