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 16:35:33      -66.551456         0.171056
BFGS:    1 16:35:33      -66.552696         0.167256
BFGS:    2 16:35:33      -66.571572         0.082046
BFGS:    3 16:35:33      -66.576682         0.013491
BFGS:    4 16:35:33      -66.576811         0.000804
BFGS:    5 16:35:33      -66.576811         0.000007
BFGS:    6 16:35:33      -66.576811         0.000000
Minimization converged after 6 steps.
Maximum force component: 6.334929303871449e-31 eV/Angstrom
Maximum stress component: 3.149839805019757e-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 6.72953724e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.36476862e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [1.19540595e-49 5.00000000e-01 3.36476862e-35]
 [0.00000000e+00 6.72953724e-35 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([[5.723810937969597, 8.242120222013082e-33, 1.0703029822735801e-33], [8.870195277338802e-33, 5.723810937969597, -2.704786916109597e-18], [4.932806516264517e-33, -2.7047869161096045e-18, 5.723810937969597]])
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]
 [-3.52757084e-32  3.23360661e-32  8.50659010e-32]
 [ 1.94751307e-32 -2.43622861e-31  1.28976809e-31]
 [-1.65354883e-33  9.99478405e-32 -4.20368859e-31]
 [ 1.52861403e-31 -1.98425860e-31  2.08714608e-31]
 [-1.41102834e-31  1.99895681e-31 -2.91024594e-31]
 [-7.34910592e-32 -1.76011087e-31  6.46721321e-32]
 [-4.70342779e-32 -8.01052545e-32  6.33492930e-31]
 [-9.62732876e-32  2.45460138e-31 -2.86615131e-32]]
stress =  [-3.14983981e-10 -3.14983981e-10 -3.14983981e-10  8.68829970e-27
 -3.13522456e-35  1.93724345e-51]
energy per atom =  -4.161050694672543
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0