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_NiCrFe__MO_912636107108_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 12:20:45      -17.984153         0.158474
BFGS:    1 12:20:45      -17.985158         0.137401
BFGS:    2 12:20:45      -17.988145         0.003504
BFGS:    3 12:20:45      -17.988147         0.000075
BFGS:    4 12:20:45      -17.988147         0.000000
BFGS:    5 12:20:45      -17.988147         0.000000
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 1.69353322e-36]]
cellpar =  Cell([[3.553831137254771, -1.387346366410079e-32, -1.0927511002271e-32], [1.8497922040002357e-32, 3.553831137254771, -7.000832465327174e-20], [-3.0097195118834386e-33, -7.000832465328331e-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 -1.06250482e-29
  1.62658077e-34 -6.18388653e-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