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 09:16:01      -64.748912         0.514512
BFGS:    1 09:16:02      -64.760110         0.501168
BFGS:    2 09:16:02      -64.828731         0.415157
BFGS:    3 09:16:02      -64.885070         0.337402
BFGS:    4 09:16:02      -64.930361         0.267841
BFGS:    5 09:16:02      -64.965823         0.206031
BFGS:    6 09:16:02      -64.992228         0.145993
BFGS:    7 09:16:02      -65.009607         0.085667
BFGS:    8 09:16:02      -65.017912         0.025004
BFGS:    9 09:16:02      -65.018682         0.000108
BFGS:   10 09:16:02      -65.018682         0.000000
BFGS:   11 09:16:03      -65.018682         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.3511298893327459e-30 eV/Angstrom
Maximum stress component: 6.839353833538579e-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]
 [0.00000000e+00 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 3.40829376e-67 2.34335239e-49]
 [0.00000000e+00 5.00000000e-01 1.31919012e-34]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.839734306205544, 7.903862435019914e-33, 1.0427718878497345e-32], [1.9058048728144914e-32, 5.839734306205544, -8.49361372172662e-18], [-1.1799552643115593e-32, -8.493613721726612e-18, 5.839734306205544]])
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]
 [ 4.97863622e-31  1.08570260e-30  4.73870194e-31]
 [ 4.18385393e-31 -1.22216522e-30 -5.48849655e-31]
 [ 5.83340207e-31  9.83730530e-31 -4.07888268e-31]
 [ 3.53903056e-31 -1.14549872e-30 -1.07970424e-30]
 [-1.91947420e-31  1.18767466e-30  6.95809399e-31]
 [-6.29827473e-32 -1.35112989e-30 -6.47822544e-31]
 [-1.85949064e-31 -1.30914139e-30  1.18467549e-31]
 [-7.49794611e-33  1.24765823e-30  7.39297487e-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 =  [-6.83935383e-14 -6.83935383e-14 -6.83935383e-14  1.43190587e-30
 -1.74441985e-62  5.39535181e-62]
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