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 16:35:38      -68.952604         0.415488
BFGS:    1 16:35:38      -68.959839         0.397218
BFGS:    2 16:35:38      -69.008781         0.261164
BFGS:    3 16:35:39      -69.040324         0.167863
BFGS:    4 16:35:39      -69.062087         0.133232
BFGS:    5 16:35:39      -69.083596         0.164163
BFGS:    6 16:35:39      -69.113732         0.242052
BFGS:    7 16:35:39      -69.156313         0.321726
BFGS:    8 16:35:39      -69.207652         0.349166
BFGS:    9 16:35:39      -69.255463         0.265699
BFGS:   10 16:35:39      -69.279885         0.035016
BFGS:   11 16:35:39      -69.280150         0.012239
BFGS:   12 16:35:39      -69.280185         0.000271
BFGS:   13 16:35:39      -69.280185         0.000002
BFGS:   14 16:35:39      -69.280185         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.6770937696015098e-30 eV/Angstrom
Maximum stress component: 2.880539240562207e-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 =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 0.0000000e+00]
 [6.1183655e-50 0.0000000e+00 5.0000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 2.5000000e-01]]
cellpar =  Cell([[5.591589497883295, -2.1034092567956157e-32, -1.1158793248501555e-33], [-3.1306408414740166e-33, 5.591589497883295, -4.124334686796446e-18], [1.9865785947891366e-33, -4.124334686796445e-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]
 [-3.79069140e-31  6.31781900e-31  1.01372278e-30]
 [ 8.04086054e-32 -1.52202003e-31 -1.31525505e-30]
 [-3.04404006e-31  3.56095252e-31 -9.53416321e-31]
 [ 3.67582196e-31  2.90045327e-31 -1.09125964e-30]
 [ 3.79069140e-31  2.87173591e-31  1.67709377e-30]
 [ 5.14040727e-31 -7.95470846e-31 -1.05679881e-30]
 [ 2.98660534e-31 -6.31781900e-31  1.20038561e-30]
 [ 2.49841024e-31 -5.74347181e-32  5.80090653e-31]]
stress =  [-2.88053924e-11 -2.88053924e-11 -2.88053924e-11 -1.50517403e-29
 -1.07241068e-59 -4.33790117e-60]
energy per atom =  -4.330011548277588
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0