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 15:04:16      -16.182902         1.162225
BFGS:    1 15:04:16      -16.240005         1.132109
BFGS:    2 15:04:16      -16.403854         1.040562
BFGS:    3 15:04:16      -16.547744         0.863212
BFGS:    4 15:04:16      -16.658427         0.598080
BFGS:    5 15:04:16      -16.721391         0.208470
BFGS:    6 15:04:16      -16.726699         0.086420
BFGS:    7 15:04:16      -16.727631         0.006356
BFGS:    8 15:04:16      -16.727636         0.000167
BFGS:    9 15:04:16      -16.727636         0.000000
BFGS:   10 15:04:16      -16.727636         0.000000
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