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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 13:55:43      -66.551456        0.1711
BFGS:    1 13:55:43      -66.552696        0.1673
BFGS:    2 13:55:43      -66.571572        0.0820
BFGS:    3 13:55:43      -66.576682        0.0135
BFGS:    4 13:55:43      -66.576811        0.0008
BFGS:    5 13:55:43      -66.576811        0.0000
BFGS:    6 13:55:43      -66.576811        0.0000
Minimization converged after 6 steps.
Maximum force component: 7.808425041024845e-32 eV/Angstrom
Maximum stress component: 3.1498375235514134e-10 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 3.36476862e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.78162380e-49 2.39081190e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.39081190e-49 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([[5.723810937969598, 2.0088063323045182e-32, 1.998053954426142e-32], [-3.01605613843106e-32, 5.723810937969598, -2.748347263219087e-18], [-4.885129129482047e-33, -2.748347263219098e-18, 5.723810937969598]])
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]
 [-1.69029436e-32 -3.23360661e-32 -1.96588583e-32]
 [ 5.51182944e-33  2.60893260e-32  3.67455296e-33]
 [-1.06562036e-32 -3.01313343e-32 -7.34910592e-33]
 [ 1.32283907e-32  1.01968845e-32 -1.61680330e-32]
 [-2.20473178e-33 -2.09449519e-32  2.86615131e-32]
 [ 7.80842504e-32  7.31236039e-32  2.15879986e-32]
 [ 5.44063498e-32  7.12863274e-32  1.83727648e-34]
 [-7.34910592e-33 -1.05643398e-32  3.34384319e-32]]
stress =  [-3.14983752e-10 -3.14983752e-10 -3.14983752e-10  1.60211162e-27
  1.09732860e-34 -2.69652105e-51]
energy per atom =  -4.161050694672534
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0