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_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 13:56:50       -7.936340         0.679813
BFGS:    1 13:56:50       -7.949408         0.659126
BFGS:    2 13:56:50       -8.000127         0.285310
BFGS:    3 13:56:50       -8.005191         0.178375
BFGS:    4 13:56:50       -8.007800         0.114357
BFGS:    5 13:56:50       -8.007933         0.114689
BFGS:    6 13:56:50       -8.017016         0.319118
BFGS:    7 13:56:50       -8.037410         0.499088
BFGS:    8 13:56:50       -8.036632         0.633171
BFGS:    9 13:56:50       -8.054841         0.437293
BFGS:   10 13:56:50       -8.056562         0.431930
BFGS:   11 13:56:50       -8.074167         0.034383
BFGS:   12 13:56:50       -8.074296         0.007939
BFGS:   13 13:56:50       -8.074305         0.000270
BFGS:   14 13:56:50       -8.074305         0.000033
BFGS:   15 13:56:50       -8.074305         0.000002
BFGS:   16 13:56:50       -8.074305         0.000000
BFGS:   17 13:56:50       -8.074305         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.7763539340868992e-32 eV/Angstrom
Maximum stress component: 4.669799278959442e-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([[2.4961441963318953, -2.8203747485685735e-17, -1.0864948671127023e-36], [-1.2480720981659477, 2.161724285532513, 1.7347283570703365e-36], [1.2764649366423622e-35, 2.929018194383224e-35, 4.2107747659285]])
forces =  [[ 3.42993299e-49 -1.77635393e-32 -9.79075750e-69]
 [ 3.42993299e-49 -1.77635393e-32 -9.79075750e-69]]
stress =  [-4.66979928e-11 -4.66979928e-11 -2.09011066e-11 -9.02748732e-34
  3.44393667e-46 -1.10543217e-26]
energy per atom =  -4.037152408006753
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0