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_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
==== 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 15:16:50      -15.491211         0.476648
BFGS:    1 15:16:50      -15.500615         0.444102
BFGS:    2 15:16:50      -15.550186         0.221793
BFGS:    3 15:16:50      -15.568979         0.038438
BFGS:    4 15:16:50      -15.569609         0.001212
BFGS:    5 15:16:50      -15.569609         0.000055
BFGS:    6 15:16:50      -15.569609         0.000000
BFGS:    7 15:16:50      -15.569609         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5442229802543534e-12 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([[3.658404742151385, -3.420747828926793e-33, -6.196059164318884e-34], [-2.2875358930303112e-33, 3.658404742151385, -3.662106084946424e-18], [1.828255868920808e-33, -3.6621060849464244e-18, 3.658404742151385]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.54422298e-12 -2.54422298e-12 -2.54422298e-12  1.37627514e-28
 -3.22273214e-36  1.74098007e-52]
energy per atom =  -3.892402277979749
===============================================
==== 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 15:16:51      -15.151931         1.268339
BFGS:    1 15:16:51      -15.217983         1.161776
BFGS:    2 15:16:51      -15.369872         0.861898
BFGS:    3 15:16:51      -15.476122         0.556180
BFGS:    4 15:16:51      -15.539077         0.292446
BFGS:    5 15:16:51      -15.566593         0.083470
BFGS:    6 15:16:51      -15.569502         0.015067
BFGS:    7 15:16:51      -15.569608         0.001149
BFGS:    8 15:16:51      -15.569609         0.000019
BFGS:    9 15:16:51      -15.569609         0.000000
BFGS:   10 15:16:51      -15.569609         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.988124997772847e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.87028996e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6584047421575785, -1.2458076679146424e-32, 2.5222399689757572e-33], [-1.1806793663096121e-32, 3.6584047421575785, 2.7845640111936184e-17], [3.0276511601678287e-33, 2.784564011193619e-17, 3.6584047421575785]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.98812500e-13 -5.98812500e-13 -5.98812500e-13 -1.19835920e-30
 -5.75594949e-35 -2.19711186e-51]
energy per atom =  -3.892402277979797
===============================================
==== 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 15:16:53      -15.545861         0.265286
BFGS:    1 15:16:53      -15.548772         0.246710
BFGS:    2 15:16:53      -15.569103         0.034611
BFGS:    3 15:16:53      -15.569594         0.005804
BFGS:    4 15:16:53      -15.569609         0.000204
BFGS:    5 15:16:53      -15.569609         0.000000
BFGS:    6 15:16:53      -15.569609         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.276729084110852e-12 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 1.31609956e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.658404742189022, 3.930516525737544e-33, 8.647540360375278e-37], [4.767663743222638e-35, 3.658404742189022, 7.183342017453827e-19], [-2.9804227438269914e-35, 7.183342017453826e-19, 3.658404742189022]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.27672908e-12  9.27672908e-12  9.27672908e-12 -2.69020293e-29
  3.83729966e-35 -4.34606430e-53]
energy per atom =  -3.8924022779798184
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0