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 16:57:24      -15.491211        0.4766
BFGS:    1 16:57:24      -15.500615        0.4441
BFGS:    2 16:57:24      -15.550186        0.2218
BFGS:    3 16:57:24      -15.568979        0.0384
BFGS:    4 16:57:24      -15.569609        0.0012
BFGS:    5 16:57:24      -15.569609        0.0001
BFGS:    6 16:57:24      -15.569609        0.0000
BFGS:    7 16:57:24      -15.569609        0.0000
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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.01358735e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.10575929e-34]]
cellpar =  Cell([[3.658404742151385, 1.5954485026982427e-32, 6.381016586861654e-34], [-8.219533268079254e-34, 3.658404742151385, -5.0539926987593884e-18], [-5.18770274836564e-34, -5.053992698759384e-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 -5.64709057e-32
  3.74736295e-37 -9.53113529e-55]
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 16:57:25      -15.151931        1.2683
BFGS:    1 16:57:25      -15.217983        1.1618
BFGS:    2 16:57:26      -15.369872        0.8619
BFGS:    3 16:57:26      -15.476122        0.5562
BFGS:    4 16:57:26      -15.539077        0.2924
BFGS:    5 16:57:26      -15.566593        0.0835
BFGS:    6 16:57:26      -15.569502        0.0151
BFGS:    7 16:57:26      -15.569608        0.0011
BFGS:    8 16:57:26      -15.569609        0.0000
BFGS:    9 16:57:26      -15.569609        0.0000
BFGS:   10 16:57:26      -15.569609        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.990437789544757e-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([[3.658404742157578, -8.790850086758514e-33, -3.412132736502195e-33], [-5.4491666652601764e-33, 3.658404742157578, 2.2221274050002285e-17], [1.9088762108305427e-33, 2.2221274050002295e-17, 3.658404742157578]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.99043779e-13 -5.99043779e-13 -5.99043779e-13 -5.10331463e-31
  3.83729966e-35  1.45459931e-51]
energy per atom =  -3.8924022779798007
===============================================
==== 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 16:57:27      -15.545861        0.2653
BFGS:    1 16:57:27      -15.548772        0.2467
BFGS:    2 16:57:27      -15.569103        0.0346
BFGS:    3 16:57:27      -15.569594        0.0058
BFGS:    4 16:57:27      -15.569609        0.0002
BFGS:    5 16:57:27      -15.569609        0.0000
BFGS:    6 16:57:27      -15.569609        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.277079405875369e-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([[3.6584047421890227, 3.940164508611401e-33, 1.1952554036686744e-36], [4.987013681501433e-35, 3.6584047421890227, 7.183341995486836e-19], [2.022664769742407e-36, 7.183341995486835e-19, 3.6584047421890227]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.27707941e-12  9.27707941e-12  9.27707941e-12  1.39300452e-30
 -9.59324915e-36 -1.04102412e-54]
energy per atom =  -3.892402277979814
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0