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 16:58:17      -16.448735        1.2188
BFGS:    1 16:58:17      -16.509478        1.1060
BFGS:    2 16:58:17      -16.649216        0.7487
BFGS:    3 16:58:17      -16.731421        0.3380
BFGS:    4 16:58:17      -16.749994        0.0440
BFGS:    5 16:58:17      -16.750291        0.0021
BFGS:    6 16:58:17      -16.750292        0.0000
BFGS:    7 16:58:17      -16.750292        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.981121610909892e-10 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([[3.623951102515899, 5.658043522998029e-34, 1.230938728219758e-35], [1.754141683670644e-33, 3.623951102515899, -1.000164770590794e-20], [6.062679407731155e-35, -1.0001647705908018e-20, 3.623951102515899]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.98112161e-10 -2.98112161e-10 -2.98112161e-10 -3.03374646e-27
 -6.25697676e-34 -2.93174214e-51]
energy per atom =  -4.187573030108063
===============================================
==== 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 16:58:19      -16.160447        2.1009
BFGS:    1 16:58:19      -16.332498        1.7251
BFGS:    2 16:58:19      -16.547613        1.1541
BFGS:    3 16:58:19      -16.681807        0.6448
BFGS:    4 16:58:19      -16.743805        0.1907
BFGS:    5 16:58:19      -16.750249        0.0153
BFGS:    6 16:58:19      -16.750292        0.0004
BFGS:    7 16:58:19      -16.750292        0.0000
BFGS:    8 16:58:19      -16.750292        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.092532372776074e-12 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 4.25155835e-34]]
cellpar =  Cell([[3.6239511028688436, -1.0668247552487633e-32, -4.6847405471621656e-33], [-5.704199091162857e-34, 3.6239511028688436, 8.738368882247177e-18], [9.827184582878738e-34, 8.73836888224718e-18, 3.6239511028688436]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.09253237e-12 -5.09253237e-12 -5.09253237e-12 -2.13564926e-28
  3.12848838e-34  3.14229866e-51]
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 16:58:20      -16.741569        0.2315
BFGS:    1 16:58:20      -16.743713        0.2005
BFGS:    2 16:58:20      -16.750286        0.0060
BFGS:    3 16:58:20      -16.750292        0.0002
BFGS:    4 16:58:20      -16.750292        0.0000
BFGS:    5 16:58:20      -16.750292        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7484599016845627e-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, 1.863707686121387e-32, -4.6938179721812927e-36], [1.8708013291619543e-32, 3.6239511028746465, 5.650562365356755e-20], [6.597836733141995e-34, 5.650562365356717e-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  3.34666246e-31
  3.91061048e-35  9.36816109e-53]
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