element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.705']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.705, 0, 0], [0, 5.705, 0], [0, 0, 5.705]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:07:02      -64.748912        0.5145
BFGS:    1 16:07:02      -64.760110        0.5012
BFGS:    2 16:07:02      -64.828731        0.4152
BFGS:    3 16:07:02      -64.885070        0.3374
BFGS:    4 16:07:03      -64.930361        0.2678
BFGS:    5 16:07:03      -64.965823        0.2060
BFGS:    6 16:07:03      -64.992228        0.1460
BFGS:    7 16:07:04      -65.009607        0.0857
BFGS:    8 16:07:04      -65.017912        0.0250
BFGS:    9 16:07:04      -65.018682        0.0001
BFGS:   10 16:07:04      -65.018682        0.0000
BFGS:   11 16:07:04      -65.018682        0.0000
Minimization converged after 11 steps.
Maximum force component: 1.1246919167586677e-30 eV/Angstrom
Maximum stress component: 6.821881078142167e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.68670477e-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]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.34335239e-49 0.00000000e+00]
 [2.34335239e-49 5.00000000e-01 1.31919012e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.8397343062055445, 1.479050312176929e-32, -3.256615152841742e-32], [-1.4880239579349568e-32, 5.8397343062055445, -9.748711718569804e-18], [-3.179913122712086e-32, -9.748711718569832e-18, 5.8397343062055445]])
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]
 [-4.79868551e-31  3.23911272e-31 -1.79950707e-32]
 [-4.76869373e-31  2.99917844e-33 -1.22966316e-31]
 [-3.56902235e-31  8.75760106e-31 -5.39852120e-31]
 [ 2.51930989e-31  2.09942491e-32  5.39852120e-31]
 [ 6.95809399e-31  5.63845548e-31  1.31963852e-31]
 [-3.86894019e-31 -9.14749426e-31  2.03944134e-31]
 [-3.59901413e-31 -1.12469192e-30 -3.56902235e-31]
 [ 6.44823366e-31  2.87921131e-31 -8.15776537e-31]
 [ 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]]
stress =  [-6.82188108e-14 -6.82188108e-14 -6.82188108e-14  1.25695865e-33
 -6.61158100e-62 -2.97336561e-63]
energy per atom =  -4.063667604152327
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0