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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 14:56:24       -8.351623         4.249984
BFGS:    1 14:56:24       -8.647195         2.215797
BFGS:    2 14:56:24       -8.765137         0.717545
BFGS:    3 14:56:24       -8.784434         0.200002
BFGS:    4 14:56:24       -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: 1.364053464378147e-32 eV/Angstrom
Maximum stress component: 8.119011002246582e-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([[2.5557024969382116, -2.2415892990443092e-17, 2.192045172461519e-37], [-1.2778512484691058, 2.213303286863813, 4.1529090967942865e-36], [-2.2290580353182e-36, 1.901488450232791e-35, 4.090111483482536]])
forces =  [[ 2.62512212e-33  1.36405346e-32  2.64949131e-68]
 [-1.31256106e-32 -4.54684488e-33 -9.88237826e-69]]
stress =  [-8.11901100e-11 -8.11901100e-11 -4.73524912e-11  5.10593936e-34
  9.82638488e-35  2.57661192e-26]
energy per atom =  -4.393892259664887
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0