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_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_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 13:18:47      -67.958413         0.788813
BFGS:    1 13:18:47      -67.984895         0.777869
BFGS:    2 13:18:47      -68.097959         0.729157
BFGS:    3 13:18:47      -68.203391         0.675318
BFGS:    4 13:18:47      -68.300104         0.612686
BFGS:    5 13:18:47      -68.386751         0.541136
BFGS:    6 13:18:47      -68.462014         0.460950
BFGS:    7 13:18:48      -68.524690         0.373742
BFGS:    8 13:18:48      -68.573843         0.280679
BFGS:    9 13:18:48      -68.608612         0.182125
BFGS:   10 13:18:48      -68.628393         0.081666
BFGS:   11 13:18:48      -68.633392         0.000366
BFGS:   12 13:18:49      -68.633392         0.000001
BFGS:   13 13:18:49      -68.633392         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.0769586179075289e-30 eV/Angstrom
Maximum stress component: 5.23782846278512e-13 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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [9.81496438e-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([[5.577016803723343, 8.83548055611295e-33, -1.75965939764498e-32], [1.8527942228520962e-32, 5.577016803723343, -7.380937220771987e-18], [6.143484538115338e-32, -7.380937220772075e-18, 5.577016803723343]])
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]
 [-1.14570066e-32  4.29637747e-31  4.38230501e-31]
 [-6.66990224e-31 -4.71527427e-31  7.21791414e-31]
 [-1.28891324e-31  5.72850329e-31 -5.15565296e-32]
 [-5.55664819e-31 -6.75963388e-31 -1.89040608e-31]
 [ 4.18180740e-31  8.24904473e-31 -3.26524687e-31]
 [ 6.01492845e-32 -4.19612866e-31 -1.07695862e-30]
 [ 5.72850329e-33 -5.49220253e-31  3.68772399e-31]
 [ 5.76430643e-31  6.81691891e-31  6.35147802e-31]]
stress =  [-5.23782846e-13 -5.23782846e-13 -5.23782846e-13 -8.42038295e-29
 -1.32097713e-34 -3.53492236e-50]
energy per atom =  -4.289586997276173
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0