element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5687']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5687, 0, 0], [0, 3.5687, 0], [0, 0, 3.5687]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:01:15      -17.984153        0.1585
BFGS:    1 09:01:15      -17.985158        0.1374
BFGS:    2 09:01:15      -17.988145        0.0035
BFGS:    3 09:01:15      -17.988147        0.0001
BFGS:    4 09:01:15      -17.988147        0.0000
BFGS:    5 09:01:15      -17.988147        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.884620415179605e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni', 'Ni', 'Ni']
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 3.38706643e-36]]
cellpar =  Cell([[3.553831137254771, 1.8497859222600444e-32, -9.224904409254781e-33], [9.248972644111495e-33, 3.553831137254771, -7.000832465327636e-20], [5.19470890124145e-33, -7.000832465327405e-20, 3.553831137254771]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.88462042e-14 -3.88462042e-14 -3.88462042e-14  9.72901439e-31
  1.62658077e-34 -4.09226319e-51]
energy per atom =  -4.497036746481476
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0