element(s):
['Fe']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
3
Parameter values for parameter set 0:
['3.7691']
Parameter values for parameter set 1:
['3.449']
Parameter values for parameter set 2:
['3.6011']
model name:
EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.7691, 0, 0], [0, 3.7691, 0], [0, 0, 3.7691]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:46      -15.500333         0.478334
BFGS:    1 15:18:46      -15.509803         0.445615
BFGS:    2 15:18:46      -15.559575         0.222948
BFGS:    3 15:18:46      -15.578512         0.038850
BFGS:    4 15:18:46      -15.579159         0.001535
BFGS:    5 15:18:46      -15.579160         0.000066
BFGS:    6 15:18:46      -15.579160         0.000000
BFGS:    7 15:18:46      -15.579160         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.566393811213001e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.10593523e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6580991108390974, 8.355456470680006e-33, -8.161428819030127e-34], [3.673069423128798e-33, 3.6580991108390974, 4.086560231724276e-18], [7.191917429355648e-34, 4.0865602317242746e-18, 3.6580991108390974]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.56639381e-13  5.56639381e-13  5.56639381e-13 -9.79347151e-31
  9.59485224e-36 -1.11737851e-53]
energy per atom =  -3.7533684447474847
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.449, 0, 0], [0, 3.449, 0], [0, 0, 3.449]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:48      -15.163963         1.264034
BFGS:    1 15:18:48      -15.229567         1.157815
BFGS:    2 15:18:48      -15.380861         0.857919
BFGS:    3 15:18:48      -15.486521         0.552566
BFGS:    4 15:18:48      -15.549014         0.289903
BFGS:    5 15:18:48      -15.576231         0.082022
BFGS:    6 15:18:48      -15.579056         0.014836
BFGS:    7 15:18:48      -15.579160         0.001122
BFGS:    8 15:18:48      -15.579160         0.000018
BFGS:    9 15:18:48      -15.579160         0.000000
BFGS:   10 15:18:48      -15.579160         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.88485011385687e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.658099110837183, 2.0087598663788912e-32, 1.9011943673799756e-33], [-1.5524343647135734e-32, 3.658099110837183, 8.165815376101635e-18], [-3.055576302778266e-33, 8.165815376101635e-18, 3.658099110837183]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.88485011e-14 -3.88485011e-14 -3.88485011e-14  6.50847963e-30
  7.67588179e-35 -9.37753555e-51]
energy per atom =  -3.753368444747512
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6011, 0, 0], [0, 3.6011, 0], [0, 0, 3.6011]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:18:49      -15.555784         0.262536
BFGS:    1 15:18:49      -15.558635         0.244233
BFGS:    2 15:18:49      -15.578687         0.033363
BFGS:    3 15:18:49      -15.579146         0.005604
BFGS:    4 15:18:49      -15.579160         0.000185
BFGS:    5 15:18:49      -15.579160         0.000001
BFGS:    6 15:18:49      -15.579160         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7809523618762987e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.63241903e-35]]
cellpar =  Cell([[3.658099110780036, -5.055025132022248e-33, 1.7162312790257737e-32], [-7.860853734188232e-33, 3.658099110780036, 1.4510514146992517e-18], [-1.5994729701367888e-32, 1.4510514146992825e-18, 3.658099110780036]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.78095236e-11 -1.78095236e-11 -1.78095236e-11  7.55042847e-28
  6.23729293e-59 -3.29017815e-60]
energy per atom =  -3.753368444747562
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0