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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 16:06:53      -16.822483         1.822976
BFGS:    1 16:06:53      -16.956593         1.608553
BFGS:    2 16:06:53      -17.165998         1.181489
BFGS:    3 16:06:53      -17.310772         0.747869
BFGS:    4 16:06:53      -17.389703         0.300664
BFGS:    5 16:06:53      -17.403792         0.028289
BFGS:    6 16:06:54      -17.403907         0.001724
BFGS:    7 16:06:54      -17.403908         0.000009
BFGS:    8 16:06:54      -17.403908         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.800312633298601e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.58631808e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.508964956622039, -1.0387626268955362e-33, -2.504606581726803e-34], [-8.724201247892625e-33, 3.508964956622039, 1.0422353698765315e-17], [-1.1769099041149742e-33, 1.0422353698765307e-17, 3.508964956622039]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.80031263e-10 -2.80031263e-10 -2.80031263e-10  5.88446867e-27
  1.56416449e-35 -8.70902880e-52]
energy per atom =  -4.3509769507763245
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0