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_2018_FeNiCrCoCu__MO_803527979660_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 10:57:17       -8.351623         4.249984
BFGS:    1 10:57:18       -8.647195         2.215797
BFGS:    2 10:57:18       -8.765137         0.717545
BFGS:    3 10:57:18       -8.784434         0.200002
BFGS:    4 10:57:18       -8.787080         0.057294
BFGS:    5 10:57:18       -8.787216         0.048110
BFGS:    6 10:57:18       -8.787361         0.063398
BFGS:    7 10:57:18       -8.787594         0.061982
BFGS:    8 10:57:18       -8.787745         0.033262
BFGS:    9 10:57:18       -8.787782         0.006963
BFGS:   10 10:57:18       -8.787784         0.000872
BFGS:   11 10:57:19       -8.787785         0.000079
BFGS:   12 10:57:19       -8.787785         0.000007
BFGS:   13 10:57:19       -8.787785         0.000000
BFGS:   14 10:57:19       -8.787785         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.3650635004065233e-31 eV/Angstrom
Maximum stress component: 8.11886099025587e-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([[2.555702496945197, -3.1031606884071804e-17, 1.4744218891080099e-36], [-1.2778512484725986, 2.213303286869863, -1.3475345266289832e-36], [-1.9773715319439947e-36, -2.273968595900579e-35, 4.0901114834807535]])
forces =  [[-1.05004885e-31  3.63747591e-32 -7.06092683e-68]
 [ 1.36506350e-31 -7.27495181e-32  9.88133465e-68]]
stress =  [-8.11886099e-11 -8.11886099e-11 -4.73515174e-11  5.63928044e-46
  7.86110790e-34  3.41042390e-26]
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