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:
Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_001
==== 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 16:59:51      -16.602689        1.3526
BFGS:    1 16:59:51      -16.677665        1.2331
BFGS:    2 16:59:51      -16.837737        0.8930
BFGS:    3 16:59:51      -16.943004        0.5015
BFGS:    4 16:59:51      -16.985360        0.0533
BFGS:    5 16:59:51      -16.985801        0.0040
BFGS:    6 16:59:51      -16.985803        0.0000
BFGS:    7 16:59:51      -16.985803        0.0000
BFGS:    8 16:59:51      -16.985803        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.5981269807251235e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.6043435018461163, 2.544843004934385e-33, 2.8202315181161834e-33], [-1.5849908196811544e-33, 3.6043435018461163, 5.32745317525949e-18], [1.6683715647854403e-33, 5.3274531752594996e-18, 3.6043435018461163]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.59812698e-15 -4.59812698e-15 -4.59812698e-15 -3.04492962e-31
  6.17698998e-37  9.52911209e-53]
energy per atom =  -4.246450757753889
===============================================
==== 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 16:59:52      -16.528419        1.8158
BFGS:    1 16:59:52      -16.657594        1.5070
BFGS:    2 16:59:52      -16.841824        0.9595
BFGS:    3 16:59:52      -16.948363        0.4703
BFGS:    4 16:59:52      -16.985339        0.0504
BFGS:    5 16:59:52      -16.985801        0.0031
BFGS:    6 16:59:52      -16.985803        0.0000
BFGS:    7 16:59:53      -16.985803        0.0000
BFGS:    8 16:59:53      -16.985803        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2382188620270816e-15 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 1.28240604e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.604343501846118, 3.704844502151678e-32, 2.3907566503926764e-32], [3.148113328326327e-33, 3.604343501846118, -9.261823566718428e-18], [2.1985748923900332e-32, -9.261823566718436e-18, 3.604343501846118]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.23821886e-15 -3.23821886e-15 -3.23821886e-15  6.01540628e-31
 -1.97663679e-35  3.09203027e-52]
energy per atom =  -4.24645075775389
===============================================
==== 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 16:59:54      -16.985630        0.0321
BFGS:    1 16:59:54      -16.985671        0.0280
BFGS:    2 16:59:54      -16.985803        0.0001
BFGS:    3 16:59:54      -16.985803        0.0000
BFGS:    4 16:59:54      -16.985803        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.261822911762861e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.604343501845259, -5.982226948150742e-34, -7.641101045154747e-33], [1.1399294065462085e-33, 3.604343501845259, 2.818776353137021e-21], [-1.543897951662842e-33, 2.8187763531282466e-21, 3.604343501845259]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.26182291e-13 -7.26182291e-13 -7.26182291e-13  1.48532660e-29
  5.33691934e-34 -3.98944817e-51]
energy per atom =  -4.246450757753888
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0