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 10:32:11      -16.182902         1.162225
BFGS:    1 10:32:11      -16.240005         1.132109
BFGS:    2 10:32:11      -16.403854         1.040562
BFGS:    3 10:32:11      -16.547744         0.863212
BFGS:    4 10:32:11      -16.658427         0.598080
BFGS:    5 10:32:11      -16.721391         0.208470
BFGS:    6 10:32:11      -16.726699         0.086420
BFGS:    7 10:32:11      -16.727631         0.006356
BFGS:    8 10:32:11      -16.727636         0.000167
BFGS:    9 10:32:11      -16.727636         0.000000
BFGS:   10 10:32:11      -16.727636         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5659445729556256e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.4820133594579543, 1.3053936905042817e-32, -1.2346473379973297e-32], [4.339663035005873e-33, 3.4820133594579543, 7.09723218829032e-18], [1.2023213090239437e-32, 7.097232188290298e-18, 3.4820133594579543]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.56594457e-12  1.56594457e-12  1.56594457e-12 -7.55573933e-30
  1.01027186e-60 -3.57854865e-61]
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