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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 15:18:58      -16.599391         0.834854
BFGS:    1 15:18:58      -16.627871         0.757539
BFGS:    2 15:18:58      -16.718976         0.467772
BFGS:    3 15:18:58      -16.770542         0.215175
BFGS:    4 15:18:58      -16.782587         0.032355
BFGS:    5 15:18:58      -16.782840         0.001976
BFGS:    6 15:18:58      -16.782841         0.000017
BFGS:    7 15:18:59      -16.782841         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.973130675662124e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.88573426e-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([[3.6284421510101352, 9.241688961421471e-33, 4.201723175443581e-33], [9.062080050967947e-33, 3.6284421510101352, -2.5318840221498695e-17], [-1.0758714961063557e-33, -2.531884022149868e-17, 3.6284421510101352]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.97313068e-10 -6.97313068e-10 -6.97313068e-10 -6.36913052e-26
 -3.90093587e-35 -3.27499630e-52]
energy per atom =  -4.195710195242533
===============================================
==== 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 15:19:00      -16.371448         1.468711
BFGS:    1 15:19:00      -16.457711         1.274497
BFGS:    2 15:19:01      -16.617103         0.861830
BFGS:    3 15:19:01      -16.719223         0.508061
BFGS:    4 15:19:01      -16.771852         0.200964
BFGS:    5 15:19:01      -16.782691         0.022726
BFGS:    6 15:19:01      -16.782840         0.001208
BFGS:    7 15:19:01      -16.782841         0.000008
BFGS:    8 15:19:01      -16.782841         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.3837609238433986e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.42867127e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.24629604e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6284421518870484, -4.9933350261289765e-33, -8.822504558597379e-33], [-1.820111248952896e-33, 3.6284421518870484, -1.5087239372332057e-17], [8.680944306925123e-34, -1.5087239372332085e-17, 3.6284421518870484]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.38376092e-10 -2.38376092e-10 -2.38376092e-10 -8.45503500e-27
 -3.34553444e-59  1.75481777e-59]
energy per atom =  -4.195710195242548
===============================================
==== 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 15:19:03      -16.774868         0.177773
BFGS:    1 15:19:03      -16.776163         0.162267
BFGS:    2 15:19:03      -16.782828         0.007024
BFGS:    3 15:19:03      -16.782841         0.000295
BFGS:    4 15:19:03      -16.782841         0.000001
BFGS:    5 15:19:03      -16.782841         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.891657356406955e-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 1.24403204e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.14677348e-37]]
cellpar =  Cell([[3.628442152335089, -1.0328226123537553e-33, -1.6783252690393196e-34], [-1.625653680886701e-33, 3.628442152335089, 2.3604589868543816e-20], [8.852560774584848e-35, 2.3604589868543774e-20, 3.628442152335089]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.89165736e-12 -3.89165736e-12 -3.89165736e-12 -6.11332182e-29
  1.52380307e-36  1.13459318e-53]
energy per atom =  -4.195710195242558
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0