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_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
==== 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 03:38:25      -16.182902        1.1622
BFGS:    1 03:38:25      -16.240005        1.1321
BFGS:    2 03:38:25      -16.403854        1.0406
BFGS:    3 03:38:25      -16.547744        0.8632
BFGS:    4 03:38:25      -16.658427        0.5981
BFGS:    5 03:38:25      -16.721391        0.2085
BFGS:    6 03:38:25      -16.726699        0.0864
BFGS:    7 03:38:25      -16.727631        0.0064
BFGS:    8 03:38:25      -16.727636        0.0002
BFGS:    9 03:38:25      -16.727636        0.0000
BFGS:   10 03:38:25      -16.727636        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5655141661120756e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[1.47377615e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.482013359457954, -1.7750742979720612e-33, -4.968380897216392e-33], [-1.6831563841042024e-33, 3.482013359457954, 8.357137538368685e-18], [-9.121486775618505e-33, 8.357137538368696e-18, 3.482013359457954]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.56551417e-12  1.56551417e-12  1.56551417e-12 -3.53861700e-28
 -1.69437035e-34  4.34969840e-51]
energy per atom =  -4.172795936882254
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0