element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6652']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:03:10      -70.202927         0.027247
BFGS:    1 17:03:11      -70.202959         0.026233
BFGS:    2 17:03:11      -70.203354         0.000156
BFGS:    3 17:03:12      -70.203354         0.000001
BFGS:    4 17:03:12      -70.203354         0.000000
Minimization converged after 4 steps.
Maximum force component: 9.47893432828939e-31 eV/Angstrom
Maximum stress component: 2.620869628525993e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', '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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.66103138e-38]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.26604886e-50 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.661515444981013, 1.1611433034065763e-32, -1.1985574556482347e-33], [6.531374118356885e-33, 5.661515444981013, -9.454801455764817e-22], [-6.906145490502401e-34, -9.454801455826501e-22, 5.661515444981013]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.48917828e-32 -9.30447541e-32 -8.86832813e-31]
 [ 1.00313876e-31  1.65735968e-31  4.02709327e-31]
 [-7.55988627e-32 -1.04675348e-31 -5.81529713e-33]
 [ 5.23376742e-32  2.00627751e-31  3.83809611e-31]
 [ 2.55873074e-31  1.62828320e-31 -6.86205062e-31]
 [ 6.83297413e-32 -9.01371056e-32  9.47893433e-31]
 [-1.45382428e-31 -5.81529713e-33  6.68759170e-32]
 [ 1.40294043e-31  1.16305943e-31 -5.03750114e-31]]
stress =  [ 2.62086963e-12  2.62086963e-12  2.62086963e-12 -4.32040684e-29
 -1.79457597e-33  1.25739643e-50]
energy per atom =  -4.3877095967766895
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0