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 13:54:09      -16.930023         0.820016
BFGS:    1 13:54:10      -16.957128         0.722247
BFGS:    2 13:54:10      -17.033183         0.288225
BFGS:    3 13:54:10      -17.047355         0.003579
BFGS:    4 13:54:10      -17.047357         0.000003
BFGS:    5 13:54:10      -17.047357         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.14362479495293e-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 5.11078293e-38]]
cellpar =  Cell([[3.6800446970604215, -3.860695365840556e-35, -1.781965694548915e-35], [3.9640316841563485e-33, 3.6800446970604215, -9.133735282911252e-22], [9.56206209687437e-34, -9.133735282908623e-22, 3.6800446970604215]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.14362479e-13  8.14362479e-13  8.14362479e-13 -1.27103522e-28
 -4.74037876e-36  5.96019036e-52]
energy per atom =  -4.261839362652896
===============================================
==== 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 13:54:11      -16.239126         2.127693
BFGS:    1 13:54:11      -16.418465         1.813306
BFGS:    2 13:54:11      -16.657504         1.392585
BFGS:    3 13:54:11      -16.838137         1.016684
BFGS:    4 13:54:11      -16.962724         0.645066
BFGS:    5 13:54:11      -17.031796         0.276238
BFGS:    6 13:54:11      -17.047357         0.000823
BFGS:    7 13:54:11      -17.047357         0.000000
BFGS:    8 13:54:11      -17.047357         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1759013863880015e-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([[3.6800446970593224, -1.1658087281206891e-32, 1.8723480346758277e-32], [-4.898429301950104e-33, 3.6800446970593224, -3.2496580901576005e-17], [-1.8301519085375715e-32, -3.249658090157597e-17, 3.6800446970593224]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.17590139e-14  1.17590139e-14  1.17590139e-14 -1.45353209e-31
 -1.89615151e-35  4.01488448e-52]
energy per atom =  -4.26183936265292
===============================================
==== 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 13:54:13      -16.954812         0.704399
BFGS:    1 13:54:13      -16.974851         0.623245
BFGS:    2 13:54:13      -17.038180         0.221469
BFGS:    3 13:54:13      -17.047357         0.000524
BFGS:    4 13:54:13      -17.047357         0.000000
BFGS:    5 13:54:13      -17.047357         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.020194534518882e-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, 1.842499714419218e-32, 1.6854690745093348e-32], [-3.3536647115061285e-33, 3.6800446970593073, -2.3876368065611757e-21], [5.330745030068714e-33, -2.3876368065656385e-21, 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  2.81571207e-31
 -6.11064450e-37 -9.55706954e-53]
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