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_2003Potential2_Fe__MO_769582363439_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 16:19:22      -15.942870         0.425162
BFGS:    1 16:19:22      -15.950342         0.395115
BFGS:    2 16:19:22      -15.992745         0.179964
BFGS:    3 16:19:22      -16.006589         0.051420
BFGS:    4 16:19:22      -16.008141         0.008550
BFGS:    5 16:19:22      -16.008177         0.001343
BFGS:    6 16:19:22      -16.008178         0.000026
BFGS:    7 16:19:22      -16.008178         0.000000
BFGS:    8 16:19:22      -16.008178         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5268437238053945e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.79906792e-50 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([[3.658364840846614, -2.7194108344578717e-33, -4.03618578993087e-33], [-1.6690829028072923e-34, 3.658364840846614, -9.485883602208242e-18], [3.6706273285377146e-33, -9.485883602208253e-18, 3.658364840846614]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.52684372e-13 -3.52684372e-13 -3.52684372e-13 -1.34319071e-29
  8.99386727e-37  3.38017837e-53]
energy per atom =  -4.002044591328074
===============================================
==== 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 16:19:24      -15.592291         1.254235
BFGS:    1 16:19:24      -15.657347         1.165214
BFGS:    2 16:19:24      -15.811491         0.881380
BFGS:    3 16:19:24      -15.919313         0.553656
BFGS:    4 16:19:24      -15.980506         0.274916
BFGS:    5 16:19:24      -16.005444         0.074596
BFGS:    6 16:19:24      -16.007975         0.019012
BFGS:    7 16:19:24      -16.008175         0.002374
BFGS:    8 16:19:24      -16.008178         0.000099
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: 1.1508128777371608e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.48124143e-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([[3.6583648408026304, -4.5357948505255744e-33, -1.734545393183109e-32], [3.1431458498743726e-33, 3.6583648408026304, -1.220990896090132e-17], [-2.2937956280393974e-32, -1.2209908960901293e-17, 3.6583648408026304]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.15081288e-11 -1.15081288e-11 -1.15081288e-11 -2.76474772e-27
 -1.07926407e-35 -1.30626398e-51]
energy per atom =  -4.002044591328122
===============================================
==== 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 16:19:27      -15.986991         0.245549
BFGS:    1 16:19:27      -15.989484         0.228340
BFGS:    2 16:19:27      -16.007376         0.040510
BFGS:    3 16:19:27      -16.008126         0.009899
BFGS:    4 16:19:27      -16.008178         0.000753
BFGS:    5 16:19:27      -16.008178         0.000016
BFGS:    6 16:19:27      -16.008178         0.000000
BFGS:    7 16:19:27      -16.008178         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.969726821887801e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.14335349e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.26445565e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6583648408476517, 5.877314357523218e-33, 7.138381294265928e-33], [3.0625610833917602e-33, 3.6583648408476517, -2.0891585769439953e-18], [-6.875310759241233e-33, -2.089158576943988e-18, 3.6583648408476517]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.96972682e-14 -8.96972682e-14 -8.96972682e-14  1.33087314e-31
 -3.59754691e-36 -1.20311980e-53]
energy per atom =  -4.002044591328127
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0