element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8546']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.8546, 0, 0], [0, 6.8546, 0], [0, 0, 6.8546]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:56:59      -97.124415         0.662455
BFGS:    1 13:57:00      -97.142993         0.646299
BFGS:    2 13:57:01      -97.233417         0.558732
BFGS:    3 13:57:02      -97.310427         0.467443
BFGS:    4 13:57:03      -97.373464         0.372426
BFGS:    5 13:57:04      -97.421968         0.273676
BFGS:    6 13:57:04      -97.455380         0.171188
BFGS:    7 13:57:05      -97.473137         0.064944
BFGS:    8 13:57:06      -97.476039         0.001875
BFGS:    9 13:57:07      -97.476042         0.000020
BFGS:   10 13:57:08      -97.476042         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.443332480846098e-30 eV/Angstrom
Maximum stress component: 4.437668884526659e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 1.60335826e-33 3.65911698e-33]
 [2.37644425e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.48198271e-33]
 [5.00000000e-01 1.13998670e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.757727751058223, 6.026996336719866e-34, -1.402068304476706e-32], [5.319140495757265e-34, 6.757727751058223, -1.1430701908416663e-17], [1.6336045341664516e-32, -1.1430701908416667e-17, 6.757727751058223]])
forces =  [[ 2.77651418e-31 -2.15179849e-31 -2.77651418e-32]
 [ 6.94128546e-33  1.38825709e-31  1.45766995e-31]
 [-4.51183555e-32 -5.55302837e-32 -9.02367109e-32]
 [ 2.77651418e-32 -1.31884424e-31  2.01297278e-31]
 [-1.56178923e-31 -1.45766995e-31 -2.77651418e-32]
 [ 8.32954255e-32  1.77002779e-31  2.77651418e-32]
 [-1.45766995e-31  1.38825709e-32 -1.80473422e-31]
 [ 9.37073537e-32 -3.67888129e-31 -8.67660682e-33]
 [-5.55302837e-32 -5.55302837e-32 -1.24943138e-31]
 [-2.49886276e-31 -4.58124840e-31  5.55302837e-32]
 [ 1.03425153e-30  1.00648639e-31 -4.58124840e-31]
 [-8.05189113e-31  2.22121135e-31 -1.94355993e-31]
 [-1.52708280e-31  2.44333248e-30 -7.21893688e-31]
 [-1.38825709e-31  4.85889982e-31 -1.66590851e-31]
 [ 4.58124840e-31  1.24943138e-31  1.38825709e-32]
 [-5.55302837e-32  5.55302837e-32  3.33181702e-31]
 [ 1.16613596e-30 -1.94355993e-31 -8.32954255e-32]
 [-1.52708280e-31  3.33181702e-31 -2.22121135e-31]
 [-6.38598262e-31  5.55302837e-31 -1.00648639e-30]
 [ 6.66363404e-31  3.88711986e-31 -3.60946844e-31]
 [-6.94128546e-33 -2.77651418e-32  1.94355993e-31]
 [-1.11060567e-31 -7.21893688e-31 -9.71779964e-31]
 [ 8.05189113e-31  1.48543509e-30  1.38825709e-31]
 [-1.38825709e-32  5.55302837e-32 -2.91533989e-31]]
stress =  [ 4.43766888e-10  4.43766888e-10  4.43766888e-10  1.24574797e-25
 -2.24925053e-35 -4.05436934e-51]
energy per atom =  -4.061501744290363
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0