element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4403', '1.5759538']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:23       -8.351623         4.249984
BFGS:    1 14:56:23       -8.647195         2.215797
BFGS:    2 14:56:23       -8.765137         0.717545
BFGS:    3 14:56:23       -8.784434         0.200002
BFGS:    4 14:56:23       -8.787080         0.057294
BFGS:    5 14:56:24       -8.787216         0.048110
BFGS:    6 14:56:24       -8.787361         0.063398
BFGS:    7 14:56:24       -8.787594         0.061982
BFGS:    8 14:56:24       -8.787745         0.033262
BFGS:    9 14:56:24       -8.787782         0.006963
BFGS:   10 14:56:24       -8.787784         0.000872
BFGS:   11 14:56:24       -8.787785         0.000079
BFGS:   12 14:56:24       -8.787785         0.000007
BFGS:   13 14:56:24       -8.787785         0.000000
BFGS:   14 14:56:24       -8.787785         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.721935515236422e-32 eV/Angstrom
Maximum stress component: 8.118933641867236e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5557024969451967, -3.2817970736675567e-17, 4.1938135193870256e-36], [-1.2778512484725983, 2.213303286869861, 4.038936763407238e-36], [-5.781172483874145e-37, 3.190974370596961e-36, 4.0901114834807535]])
forces =  [[ 4.98773202e-32 -1.36405346e-32 -6.72193552e-32]
 [-7.87536635e-33  1.36405346e-32  6.72193552e-32]]
stress =  [-8.11893364e-11 -8.11893364e-11 -4.73521603e-11  1.27081157e-32
  1.57222158e-33  4.18536158e-27]
energy per atom =  -4.393892259664219
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0