element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7004']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7004, 0, 0], [0, 3.7004, 0], [0, 0, 3.7004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:16      -17.330595         1.433278
BFGS:    1 15:04:16      -17.415984         1.343150
BFGS:    2 15:04:16      -17.595176         1.022399
BFGS:    3 15:04:16      -17.715667         0.560695
BFGS:    4 15:04:16      -17.756276         0.044389
BFGS:    5 15:04:16      -17.756491         0.005270
BFGS:    6 15:04:16      -17.756494         0.000041
BFGS:    7 15:04:16      -17.756494         0.000000
BFGS:    8 15:04:16      -17.756494         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.465584219963074e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[3.85945354e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.08633960e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.17267919e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5457235493438097, 2.0890022231646356e-32, -4.67287563553555e-33], [1.8241153905506615e-32, 3.5457235493438097, -3.7872286232802966e-18], [1.9800096350751757e-32, -3.787228623280311e-18, 3.5457235493438097]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.46558422e-14  2.46558422e-14  2.46558422e-14  1.61302344e-30
  9.81038008e-62 -7.70564982e-63]
energy per atom =  -4.43912344564315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0