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 10:32:12      -16.822483         1.822976
BFGS:    1 10:32:12      -16.956593         1.608553
BFGS:    2 10:32:12      -17.165998         1.181489
BFGS:    3 10:32:12      -17.310772         0.747869
BFGS:    4 10:32:12      -17.389703         0.300664
BFGS:    5 10:32:12      -17.403792         0.028289
BFGS:    6 10:32:12      -17.403907         0.001724
BFGS:    7 10:32:12      -17.403908         0.000009
BFGS:    8 10:32:13      -17.403908         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8003130401590683e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[1.94994186e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.78175744e-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, 7.742521151119686e-33, -3.292284510712632e-33], [1.0110336078414879e-32, 3.508964956622039, 1.0753954059120362e-17], [3.34018708566942e-33, 1.0753954059120357e-17, 3.508964956622039]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.80031304e-10 -2.80031304e-10 -2.80031304e-10 -4.19038836e-28
 -1.66844213e-34 -6.08995006e-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