element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:53:18      -35.688305         0.384210
BFGS:    1 15:53:18      -35.692747         0.368807
BFGS:    2 15:53:18      -35.726471         0.225825
BFGS:    3 15:53:18      -35.747728         0.291055
BFGS:    4 15:53:18      -35.756974         0.345927
BFGS:    5 15:53:18      -35.759212         0.342373
BFGS:    6 15:53:18      -35.768463         0.286516
BFGS:    7 15:53:18      -35.776547         0.200888
BFGS:    8 15:53:18      -35.783134         0.090031
BFGS:    9 15:53:18      -35.785439         0.023225
BFGS:   10 15:53:18      -35.785590         0.004430
BFGS:   11 15:53:18      -35.785604         0.000744
BFGS:   12 15:53:18      -35.785604         0.000064
BFGS:   13 15:53:18      -35.785604         0.000002
BFGS:   14 15:53:18      -35.785604         0.000000
BFGS:   15 15:53:18      -35.785604         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.3086403741231557e-30 eV/Angstrom
Maximum stress component: 2.4716308390289896e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.90503465e-49 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.06939463e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 4.36103765e-34 7.50000000e-01]]
cellpar =  Cell([[3.532975585272794, -2.242071724710649e-36, -1.4345254237590045e-32], [-3.119736472311582e-36, 3.532975585272794, 6.826413277713629e-18], [-3.4890040662260444e-33, 1.3763379720441683e-17, 7.2038137993066895]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.11813768e-63  4.41081558e-48  2.30864037e-30]
 [-7.74090511e-64 -5.44341078e-33  1.59828949e-30]
 [ 9.67619147e-64 -3.81705194e-48 -1.99786186e-30]
 [-1.12891304e-64  2.72170539e-33  2.33083884e-31]]
stress =  [-2.65066340e-12 -2.65066340e-12 -2.47163084e-11  1.09706140e-26
  3.02689505e-35 -1.34421143e-50]
energy per atom =  -4.473200506684234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0