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_2020_FeNiCrCoAl__MO_820335782779_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 12:18:45      -67.958413         0.788813
BFGS:    1 12:18:45      -67.984895         0.777869
BFGS:    2 12:18:45      -68.097959         0.729157
BFGS:    3 12:18:45      -68.203391         0.675318
BFGS:    4 12:18:45      -68.300104         0.612686
BFGS:    5 12:18:45      -68.386751         0.541136
BFGS:    6 12:18:45      -68.462014         0.460950
BFGS:    7 12:18:45      -68.524690         0.373742
BFGS:    8 12:18:45      -68.573843         0.280679
BFGS:    9 12:18:45      -68.608612         0.182125
BFGS:   10 12:18:45      -68.628393         0.081666
BFGS:   11 12:18:45      -68.633392         0.000366
BFGS:   12 12:18:45      -68.633392         0.000001
BFGS:   13 12:18:45      -68.633392         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.370526266344996e-30 eV/Angstrom
Maximum stress component: 5.245146740548275e-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]
 [0.00000000e+00 1.38133343e-34 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([[5.5770168037233425, -3.460919161960726e-32, 9.865885738893094e-33], [-4.446013194219304e-32, 5.5770168037233425, -3.427620254623173e-18], [-3.2705931215615053e-32, -3.4276202546231346e-18, 5.5770168037233425]])
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]
 [-2.74968158e-31  2.00497615e-30 -1.29893812e-30]
 [-4.14600425e-31 -2.06190315e-30  9.53079734e-31]
 [ 3.38697757e-31  2.02789016e-30 -2.26848730e-30]
 [-1.71855099e-31 -2.14460842e-30  2.02789016e-30]
 [ 4.35366250e-31  1.09987263e-30 -1.38629780e-30]
 [-6.24048827e-31 -2.37052627e-30  1.06550161e-30]
 [-5.27022302e-31 -1.97346938e-30  1.55314045e-30]
 [ 5.19861673e-31  9.85302565e-31 -1.94411080e-30]]
stress =  [-5.24514674e-13 -5.24514674e-13 -5.24514674e-13  2.81284424e-30
 -9.28812045e-36  2.34804316e-53]
energy per atom =  -4.289586997276174
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0