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_MendelevHanSrolovitz_2003_Fe__MO_807997826449_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 16:19:23      -15.942870         0.425159
BFGS:    1 16:19:23      -15.950342         0.395119
BFGS:    2 16:19:23      -15.992745         0.179966
BFGS:    3 16:19:23      -16.006589         0.051419
BFGS:    4 16:19:23      -16.008141         0.008547
BFGS:    5 16:19:23      -16.008177         0.001339
BFGS:    6 16:19:23      -16.008178         0.000025
BFGS:    7 16:19:23      -16.008178         0.000000
BFGS:    8 16:19:23      -16.008178         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.9631696918840763e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.01366096e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.31611337e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.31611337e-35]]
cellpar =  Cell([[3.6583663451340085, 7.548853610852555e-34, -3.3664094567708597e-35], [1.0974271297673997e-33, 3.6583663451340085, -2.6319682417193534e-19], [4.045142962206747e-34, -2.6319682417193597e-19, 3.6583663451340085]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.96316969e-13 -3.96316969e-13 -3.96316969e-13 -1.14536579e-29
  1.34308307e-34  5.63449722e-51]
energy per atom =  -4.002044591676551
===============================================
==== 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 16:19:25      -15.592291         1.254232
BFGS:    1 16:19:25      -15.657347         1.165222
BFGS:    2 16:19:25      -15.811491         0.881377
BFGS:    3 16:19:25      -15.919313         0.553653
BFGS:    4 16:19:25      -15.980506         0.274919
BFGS:    5 16:19:25      -16.005445         0.074588
BFGS:    6 16:19:25      -16.007975         0.019015
BFGS:    7 16:19:25      -16.008175         0.002375
BFGS:    8 16:19:25      -16.008178         0.000101
BFGS:    9 16:19:25      -16.008178         0.000001
BFGS:   10 16:19:25      -16.008178         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4058427631412217e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.12218575e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.42312557e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.42312557e-34]]
cellpar =  Cell([[3.658366345080022, -7.465367558871133e-33, 1.0929560582138496e-32], [-9.34181468730012e-33, 3.658366345080022, -5.1757422179229586e-17], [-6.288875570624028e-33, -5.175742217922959e-17, 3.658366345080022]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.40584276e-11 -1.40584276e-11 -1.40584276e-11 -7.19604353e-28
 -1.91869011e-35 -3.79270658e-52]
energy per atom =  -4.002044591676647
===============================================
==== 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 16:19:28      -15.986991         0.245543
BFGS:    1 16:19:28      -15.989484         0.228354
BFGS:    2 16:19:28      -16.007383         0.040336
BFGS:    3 16:19:28      -16.008127         0.009858
BFGS:    4 16:19:28      -16.008178         0.000755
BFGS:    5 16:19:28      -16.008178         0.000018
BFGS:    6 16:19:28      -16.008178         0.000000
BFGS:    7 16:19:28      -16.008178         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.483201738822209e-14 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 3.29028343e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6583663451352, 1.3628736690330207e-32, -1.9403721069950685e-33], [1.313985083258473e-32, 3.6583663451352, -1.613559098619343e-19], [2.1768728114724092e-33, -1.6135590986193492e-19, 3.6583663451352]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.48320174e-14 -9.48320174e-14 -9.48320174e-14  2.54498474e-31
 -3.83738021e-35  1.53794625e-52]
energy per atom =  -4.002044591676574
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0