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_AcklandBaconCalder_1997_Fe__MO_142799717516_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 15:11:40      -16.930023         0.820016
BFGS:    1 15:11:40      -16.957128         0.722247
BFGS:    2 15:11:40      -17.033183         0.288225
BFGS:    3 15:11:40      -17.047355         0.003579
BFGS:    4 15:11:40      -17.047357         0.000003
BFGS:    5 15:11:40      -17.047357         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.150529529209393e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.98559833e-40]]
cellpar =  Cell([[3.680044697060422, 2.202747644454973e-35, -8.565507661277357e-33], [5.515431312856842e-33, 3.680044697060422, 3.1164236009209224e-23], [8.630780760507524e-33, 3.1164235990215374e-23, 3.680044697060422]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.15052953e-13  8.15052953e-13  8.15052953e-13  5.62917364e-31
  2.06122567e-61 -1.60652871e-61]
energy per atom =  -4.261839362652895
===============================================
==== 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 15:11:41      -16.239126         2.127693
BFGS:    1 15:11:41      -16.418465         1.813306
BFGS:    2 15:11:41      -16.657504         1.392585
BFGS:    3 15:11:41      -16.838137         1.016684
BFGS:    4 15:11:41      -16.962724         0.645066
BFGS:    5 15:11:41      -17.031796         0.276238
BFGS:    6 15:11:41      -17.047357         0.000823
BFGS:    7 15:11:41      -17.047357         0.000000
BFGS:    8 15:11:41      -17.047357         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2360493594360839e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.29645999e-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([[3.680044697059323, 9.377168164158594e-33, -3.621786452150344e-34], [1.1891378629305567e-32, 3.680044697059323, -2.3403540798559382e-17], [-1.679558574080555e-33, -2.3403540798559382e-17, 3.680044697059323]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.23604936e-14  1.23604936e-14  1.23604936e-14  7.41029113e-32
 -7.40684182e-38  1.25232488e-55]
energy per atom =  -4.2618393626529185
===============================================
==== 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 15:11:43      -16.954812         0.704399
BFGS:    1 15:11:43      -16.974851         0.623245
BFGS:    2 15:11:43      -17.038180         0.221469
BFGS:    3 15:11:43      -17.047357         0.000524
BFGS:    4 15:11:43      -17.047357         0.000000
BFGS:    5 15:11:43      -17.047357         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.020194534518878e-16 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([[3.6800446970593073, -2.2268232703646022e-33, 1.6705370584416054e-34], [-2.1325688797106173e-36, 3.6800446970593073, -1.7334667169705667e-20], [1.0225816316449621e-32, -1.7334667169715712e-20, 3.6800446970593073]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.02019453e-16  9.02019453e-16  9.02019453e-16 -2.18355296e-31
 -1.29619732e-37  3.59908751e-54]
energy per atom =  -4.2618393626529185
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0