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:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== 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 16:19:30      -16.600882         1.338713
BFGS:    1 16:19:30      -16.674355         1.221205
BFGS:    2 16:19:30      -16.832286         0.874722
BFGS:    3 16:19:30      -16.933633         0.465440
BFGS:    4 16:19:30      -16.968364         0.014950
BFGS:    5 16:19:30      -16.968397         0.001162
BFGS:    6 16:19:30      -16.968397         0.000003
BFGS:    7 16:19:30      -16.968397         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.685678194558563e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.61287087e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.33335189e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.50001392e-34]]
cellpar =  Cell([[3.6110985400152296, -7.0528133210506005e-37, -4.530840368668332e-33], [7.91515107008193e-37, 3.6110985400152296, 1.583128239945588e-19], [8.183538998867735e-34, 1.5831282399455644e-19, 3.6110985400152296]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.68567819e-11 -3.68567819e-11 -3.68567819e-11  3.54227644e-32
  3.93849718e-35  4.37262045e-51]
energy per atom =  -4.24209920947542
===============================================
==== 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 16:19:33      -16.418990         2.126871
BFGS:    1 16:19:33      -16.593475         1.707108
BFGS:    2 16:19:34      -16.801865         1.085111
BFGS:    3 16:19:34      -16.922899         0.540963
BFGS:    4 16:19:34      -16.967580         0.069154
BFGS:    5 16:19:34      -16.968392         0.005351
BFGS:    6 16:19:34      -16.968397         0.000059
BFGS:    7 16:19:34      -16.968397         0.000000
BFGS:    8 16:19:34      -16.968397         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.491937317399565e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.13687471e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.13334521e-34]]
cellpar =  Cell([[3.611098540056477, -3.447856623325626e-33, -2.9019062270911428e-34], [-1.8084476735314246e-32, 3.611098540056477, 9.336305773120185e-18], [4.056198590986884e-34, 9.336305773120182e-18, 3.611098540056477]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.49193732e-14 -4.49193732e-14 -4.49193732e-14  7.29516849e-32
 -5.90774577e-35 -1.09697241e-52]
energy per atom =  -4.2420992094754215
===============================================
==== 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 16:19:36      -16.966632         0.106491
BFGS:    1 16:19:36      -16.967085         0.091697
BFGS:    2 16:19:36      -16.968396         0.001466
BFGS:    3 16:19:36      -16.968397         0.000021
BFGS:    4 16:19:36      -16.968397         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0439221133932143e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.25522646e-39]]
cellpar =  Cell([[3.6110985396034057, 3.4134864019302234e-33, 7.6029336892047e-33], [2.2756576024743654e-33, 3.6110985396034057, 1.132275369863458e-22], [-9.050688922563246e-33, 1.1322753700326254e-22, 3.6110985396034057]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.04392211e-10 -4.04392211e-10 -4.04392211e-10  1.67076174e-26
  1.96924859e-35 -1.66072856e-51]
energy per atom =  -4.2420992094754215
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0