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_2003Potential5_Fe__MO_942420706858_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 16:58:04      -15.951247        0.6169
BFGS:    1 16:58:04      -15.966940        0.5703
BFGS:    2 16:58:04      -16.032736        0.3064
BFGS:    3 16:58:04      -16.058998        0.0469
BFGS:    4 16:58:04      -16.059619        0.0013
BFGS:    5 16:58:04      -16.059620        0.0000
BFGS:    6 16:58:04      -16.059620        0.0000
BFGS:    7 16:58:04      -16.059620        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2777927129989223e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [7.4813816e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.6582963003523323, 6.383284316480336e-33, 3.0175952198018095e-33], [1.3084355705168892e-32, 3.6582963003523323, -2.7911639787477314e-18], [1.4850831701897128e-32, -2.7911639787477526e-18, 3.6582963003523323]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.27779271e-13 -2.27779271e-13 -2.27779271e-13 -4.86399962e-30
 -1.39110360e-34 -1.39282437e-50]
energy per atom =  -4.014904896211206
===============================================
==== 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 16:58:06      -15.540424        1.4688
BFGS:    1 16:58:06      -15.629346        1.3549
BFGS:    2 16:58:06      -15.810089        1.0466
BFGS:    3 16:58:06      -15.940997        0.6964
BFGS:    4 16:58:06      -16.020869        0.3764
BFGS:    5 16:58:06      -16.056285        0.1037
BFGS:    6 16:58:06      -16.059568        0.0125
BFGS:    7 16:58:06      -16.059619        0.0005
BFGS:    8 16:58:06      -16.059620        0.0000
BFGS:    9 16:58:06      -16.059620        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.643320135717911e-10 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 4.21164342e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.10582171e-34]]
cellpar =  Cell([[3.658296299994726, 8.010290435883595e-33, -4.2828841933177646e-34], [8.800235739719256e-33, 3.658296299994726, -9.834430229073423e-18], [6.948808788216637e-35, -9.834430229073425e-18, 3.658296299994726]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.64332014e-10 -1.64332014e-10 -1.64332014e-10 -1.24555934e-28
 -9.59381790e-36 -4.53070364e-53]
energy per atom =  -4.01490489621122
===============================================
==== 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 16:58:07      -16.026726        0.3598
BFGS:    1 16:58:07      -16.032023        0.3274
BFGS:    2 16:58:07      -16.059088        0.0425
BFGS:    3 16:58:07      -16.059613        0.0047
BFGS:    4 16:58:07      -16.059620        0.0001
BFGS:    5 16:58:07      -16.059620        0.0000
BFGS:    6 16:58:07      -16.059620        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.182408645939014e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.67586350e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.58069285e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.58069285e-36]]
cellpar =  Cell([[3.658296300354394, 5.765869255272347e-33, -6.883964079668683e-33], [2.2565554032694102e-33, 3.658296300354394, -2.5121170143232146e-19], [-1.2400053242115967e-33, -2.5121170143231924e-19, 3.658296300354394]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.18240865e-13  7.18240865e-13  7.18240865e-13 -9.56315694e-29
 -3.07002173e-34  2.35032741e-50]
energy per atom =  -4.014904896211239
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0