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_Wen_2021_FeH__MO_634187028437_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 13:56:45       -7.454526         2.242931
BFGS:    1 13:56:45       -7.570443         1.794732
BFGS:    2 13:56:45       -7.703468         1.089583
BFGS:    3 13:56:45       -7.775980         0.437668
BFGS:    4 13:56:45       -7.796119         0.102751
BFGS:    5 13:56:45       -7.797892         0.035733
BFGS:    6 13:56:45       -7.798010         0.021050
BFGS:    7 13:56:45       -7.798029         0.024508
BFGS:    8 13:56:45       -7.798098         0.030828
BFGS:    9 13:56:45       -7.798205         0.032314
BFGS:   10 13:56:45       -7.798349         0.022195
BFGS:   11 13:56:45       -7.798399         0.006661
BFGS:   12 13:56:45       -7.798406         0.001756
BFGS:   13 13:56:45       -7.798407         0.000028
BFGS:   14 13:56:45       -7.798407         0.000001
BFGS:   15 13:56:45       -7.798407         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.9116966073305345e-10 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([[2.6054526189557734, -1.4369985834759337e-18, 5.59329165223417e-37], [-1.3027263094778867, 2.2563881563723958, -3.2210576780163026e-36], [6.520549724775697e-37, -1.1072054336219569e-35, 4.166654755449973]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.01474556e-10 -2.01474556e-10 -3.91169661e-10  1.91194737e-34
 -4.73084284e-35  8.29090798e-26]
energy per atom =  -3.7577820664447836
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0