element(s):
['Cr', 'Ni']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5911']
model name:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5911, 0, 0], [0, 6.5911, 0], [0, 0, 6.5911]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:14:47      -90.166795         1.071880
BFGS:    1 16:14:47      -90.215538         1.050289
BFGS:    2 16:14:47      -90.367833         0.980378
BFGS:    3 16:14:47      -90.509662         0.910715
BFGS:    4 16:14:47      -90.641056         0.841233
BFGS:    5 16:14:47      -90.762041         0.771917
BFGS:    6 16:14:47      -90.872639         0.702755
BFGS:    7 16:14:47      -90.972874         0.633735
BFGS:    8 16:14:47      -91.062766         0.564846
BFGS:    9 16:14:47      -91.142331         0.496000
BFGS:   10 16:14:47      -91.211560         0.427042
BFGS:   11 16:14:47      -91.270437         0.357957
BFGS:   12 16:14:47      -91.318941         0.288737
BFGS:   13 16:14:47      -91.357054         0.219501
BFGS:   14 16:14:48      -91.384842         0.151190
BFGS:   15 16:14:48      -91.402466         0.083983
BFGS:   16 16:14:48      -91.410091         0.017874
BFGS:   17 16:14:48      -91.410457         0.000187
BFGS:   18 16:14:48      -91.410457         0.000000
BFGS:   19 16:14:48      -91.410457         0.000000
Minimization converged after 19 steps.
Maximum force component: 5.032707657806211e-31 eV/Angstrom
Maximum stress component: 6.94465452214573e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.48391329e-33 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.805029208737333, 8.896900850232197e-34, -6.11855754170336e-34], [-2.7317473382695533e-33, 6.805029208737333, 1.024792902494214e-18], [1.5269865954159218e-33, 1.024792902494212e-18, 6.805029208737333]])
forces =  [[-1.67756922e-31  2.37655639e-31  1.04848076e-32]
 [ 2.65615126e-31  9.43632686e-32 -1.04848076e-31]
 [ 5.24240381e-33  1.04848076e-31  7.95097911e-32]
 [ 1.71251858e-31  5.59189740e-32 -9.08683327e-32]
 [-3.49493587e-31  5.03270766e-31  1.53777178e-31]
 [ 4.89291022e-32  9.43632686e-32  1.88726537e-31]
 [ 2.97069549e-32 -2.58625255e-31 -1.74746794e-33]
 [-1.25817691e-31  1.88726537e-31  1.39797435e-32]
 [ 1.95716409e-31 -3.77453074e-31  6.98987175e-33]
 [ 1.01353140e-31  1.11837948e-31  2.51635383e-31]
 [-9.78582045e-32  1.90474005e-31  6.29088457e-32]
 [-8.38784610e-32  1.53777178e-31  3.84442946e-32]
 [-2.79594870e-32  1.95716409e-31  2.79594870e-32]
 [-1.53777178e-31 -6.98987175e-32  2.65615126e-31]
 [ 2.79594870e-32  8.56259289e-32 -6.29088457e-32]
 [-1.01353140e-31  2.41150575e-31  4.89291022e-32]
 [ 2.62120191e-33 -3.49493587e-33 -5.26314490e-52]
 [ 1.66009454e-32  5.24240381e-33 -6.55300476e-34]
 [-4.80553683e-33  1.05262898e-51  6.98987175e-33]
 [ 1.57272114e-32 -8.73733968e-33 -1.59456449e-32]
 [ 3.49493587e-33  6.98987175e-33  2.44645511e-32]
 [ 6.10836513e-66 -3.49493587e-33  2.09696152e-32]
 [ 6.61956713e-67  1.39797435e-32  2.79594870e-32]
 [ 1.39797435e-32  2.09696152e-32  3.15788694e-51]]
stress =  [-6.94465452e-13 -6.94465452e-13 -6.94465452e-13  1.89871872e-28
 -2.21809032e-35  2.80342668e-51]
energy per atom =  -3.808769059333668
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0