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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 15:18:57      -16.448735         1.218814
BFGS:    1 15:18:57      -16.509478         1.105990
BFGS:    2 15:18:57      -16.649216         0.748711
BFGS:    3 15:18:57      -16.731421         0.337998
BFGS:    4 15:18:57      -16.749994         0.044001
BFGS:    5 15:18:57      -16.750291         0.002142
BFGS:    6 15:18:57      -16.750292         0.000013
BFGS:    7 15:18:57      -16.750292         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.981126140436883e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.16757629e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.03797811e-37]]
cellpar =  Cell([[3.6239511025158984, 8.505107658309357e-34, 8.363844047843661e-33], [1.0634708169194071e-36, 3.6239511025158984, -4.008120308453119e-21], [-1.0420977794369287e-32, -4.008120308444464e-21, 3.6239511025158984]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.98112614e-10 -2.98112614e-10 -2.98112614e-10 -6.04105407e-26
 -1.09497093e-33 -7.14541552e-50]
energy per atom =  -4.187573030108065
===============================================
==== 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 15:18:59      -16.160447         2.100907
BFGS:    1 15:18:59      -16.332498         1.725114
BFGS:    2 15:18:59      -16.547613         1.154129
BFGS:    3 15:18:59      -16.681807         0.644757
BFGS:    4 15:18:59      -16.743805         0.190693
BFGS:    5 15:18:59      -16.750249         0.015349
BFGS:    6 15:18:59      -16.750292         0.000414
BFGS:    7 15:18:59      -16.750292         0.000001
BFGS:    8 15:18:59      -16.750292         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.093233504646173e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.77614237e-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([[3.623951102868843, 9.516679984745044e-33, -4.680709218655083e-35], [9.806401103877364e-33, 3.623951102868843, 9.925336202162329e-18], [-4.976771558017159e-34, 9.925336202162332e-18, 3.623951102868843]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.09323350e-12 -5.09323350e-12 -5.09323350e-12  5.25311408e-29
 -9.77652619e-36  6.38615595e-53]
energy per atom =  -4.1875730301080685
===============================================
==== 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 15:19:01      -16.741569         0.231541
BFGS:    1 15:19:01      -16.743713         0.200537
BFGS:    2 15:19:01      -16.750286         0.006018
BFGS:    3 15:19:01      -16.750292         0.000164
BFGS:    4 15:19:01      -16.750292         0.000000
BFGS:    5 15:19:01      -16.750292         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7484599016845617e-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([[3.6239511028746465, 6.661801551955524e-33, 7.744186483188309e-34], [3.486400766878861e-32, 3.6239511028746465, 5.650689518520158e-20], [1.9858576330007898e-32, 5.650689518518387e-20, 3.6239511028746465]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.74845990e-13 -2.74845990e-13 -2.74845990e-13  5.87650232e-29
  3.91061048e-35 -3.38893891e-51]
energy per atom =  -4.187573030108071
===============================================
Parameter sets [0, 1, 2] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0