element(s):
['Cr', '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:
['5.7577']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:55:48      -68.952604        0.4155
BFGS:    1 13:55:48      -68.959839        0.3972
BFGS:    2 13:55:48      -69.008781        0.2612
BFGS:    3 13:55:48      -69.040324        0.1679
BFGS:    4 13:55:48      -69.062087        0.1332
BFGS:    5 13:55:48      -69.083596        0.1642
BFGS:    6 13:55:48      -69.113732        0.2421
BFGS:    7 13:55:48      -69.156313        0.3217
BFGS:    8 13:55:48      -69.207652        0.3492
BFGS:    9 13:55:48      -69.255463        0.2657
BFGS:   10 13:55:48      -69.279885        0.0350
BFGS:   11 13:55:48      -69.280150        0.0122
BFGS:   12 13:55:48      -69.280185        0.0003
BFGS:   13 13:55:48      -69.280185        0.0000
BFGS:   14 13:55:48      -69.280185        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.4243810097985428e-30 eV/Angstrom
Maximum stress component: 2.8805223060332806e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', '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 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 2.86798383e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.23681803e-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([[5.591589497883295, -2.2336795612187484e-32, -3.0829984213930883e-35], [-2.7804723738300295e-33, 5.591589497883295, -3.858541081555838e-18], [-5.8086747638393416e-36, -3.85854108155584e-18, 5.591589497883295]])
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]
 [-9.18955490e-32  4.30760386e-31  1.10561832e-30]
 [-1.34971588e-31 -5.85834125e-31  1.42438101e-30]
 [ 2.58456232e-32  5.57116766e-31 -6.94960089e-31]
 [-1.95278042e-31 -4.85323368e-31 -7.06447033e-31]
 [ 1.66560683e-31  5.39886350e-31 -1.30951157e-30]
 [-8.32803413e-32 -4.81015764e-31 -1.18315519e-30]
 [-1.60817211e-31 -5.98756937e-31  6.28910164e-31]
 [ 7.89727374e-32  4.53734273e-31  3.60402856e-31]]
stress =  [-2.88052231e-11 -2.88052231e-11 -2.88052231e-11  1.86221449e-29
 -5.25640277e-34  9.22287202e-52]
energy per atom =  -4.330011548277583
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0