element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5687']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5687, 0, 0], [0, 3.5687, 0], [0, 0, 3.5687]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 08:59:50      -17.515186        1.1718
BFGS:    1 08:59:50      -17.571431        1.0669
BFGS:    2 08:59:50      -17.704656        0.6791
BFGS:    3 08:59:50      -17.762921        0.0558
BFGS:    4 08:59:50      -17.763214        0.0124
BFGS:    5 08:59:50      -17.763229        0.0002
BFGS:    6 08:59:50      -17.763229        0.0000
BFGS:    7 08:59:50      -17.763229        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.972183744892007e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.73882021e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.69410106e-37]]
cellpar =  Cell([[3.4612727829480137, -1.5507199063432378e-32, -7.349403622694667e-35], [-8.421027431448064e-33, 3.4612727829480137, -4.3944828417687654e-20], [4.933260050474042e-33, -4.394482841768718e-20, 3.4612727829480137]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.97218374e-12 -3.97218374e-12 -3.97218374e-12  2.75718512e-30
 -8.57368570e-35  2.42715054e-51]
energy per atom =  -4.4134681733741745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0