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 14:53:41       -7.454526        2.2429
BFGS:    1 14:53:41       -7.570443        1.7947
BFGS:    2 14:53:41       -7.703468        1.0896
BFGS:    3 14:53:41       -7.775980        0.4377
BFGS:    4 14:53:41       -7.796119        0.1028
BFGS:    5 14:53:41       -7.797892        0.0357
BFGS:    6 14:53:41       -7.798010        0.0211
BFGS:    7 14:53:41       -7.798029        0.0245
BFGS:    8 14:53:41       -7.798098        0.0308
BFGS:    9 14:53:41       -7.798205        0.0323
BFGS:   10 14:53:41       -7.798349        0.0222
BFGS:   11 14:53:41       -7.798399        0.0067
BFGS:   12 14:53:41       -7.798406        0.0018
BFGS:   13 14:53:41       -7.798407        0.0000
BFGS:   14 14:53:41       -7.798407        0.0000
BFGS:   15 14:53:41       -7.798407        0.0000
Minimization converged after 15 steps.
Maximum force component: 6.847731337766037e-32 eV/Angstrom
Maximum stress component: 3.9116943977982985e-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([[2.6054526189557756, -5.920068898350742e-18, 1.4121667719178698e-36], [-1.3027263094778878, 2.2563881563723966, 2.078028863421333e-36], [-1.0122579772640253e-36, -8.264421669192755e-36, 4.166654755449971]])
forces =  [[-1.66360572e-68 -1.35822482e-67  6.84773134e-32]
 [ 1.66360572e-68  1.35822482e-67 -6.84773134e-32]]
stress =  [-2.01474203e-10 -2.01474203e-10 -3.91169440e-10 -1.50224436e-34
  1.18271071e-34  1.21212432e-25]
energy per atom =  -3.7577820664447863
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0