element(s):
['Fe', '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:
['6.7867']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.7867, 0, 0], [0, 6.7867, 0], [0, 0, 6.7867]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:55:08      -94.117113        0.6040
BFGS:    1 14:55:08      -94.132747        0.6040
BFGS:    2 14:55:08      -94.223558        0.6078
BFGS:    3 14:55:08      -94.315379        0.6173
BFGS:    4 14:55:08      -94.408989        0.6313
BFGS:    5 14:55:08      -94.504784        0.6457
BFGS:    6 14:55:08      -94.602489        0.6560
BFGS:    7 14:55:08      -94.701202        0.6585
BFGS:    8 14:55:09      -94.799489        0.6499
BFGS:    9 14:55:09      -94.895470        0.6274
BFGS:   10 14:55:09      -94.986891        0.5887
BFGS:   11 14:55:09      -95.071200        0.5323
BFGS:   12 14:55:09      -95.145606        0.4565
BFGS:   13 14:55:09      -95.207198        0.3615
BFGS:   14 14:55:09      -95.253157        0.2483
BFGS:   15 14:55:09      -95.280868        0.1185
BFGS:   16 14:55:09      -95.288241        0.0128
BFGS:   17 14:55:09      -95.288323        0.0005
BFGS:   18 14:55:09      -95.288323        0.0000
BFGS:   19 14:55:09      -95.288323        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.498682869141742e-31 eV/Angstrom
Maximum stress component: 1.9809999962012642e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', '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 1.63588051e-17 6.54352203e-17]
 [6.54352203e-17 1.63588051e-17 5.00000000e-01]
 [6.54352203e-17 5.00000000e-01 6.54352203e-17]
 [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([[6.574613114148374, 1.484069666991868e-33, -2.0346107674226914e-35], [-7.514212225062762e-34, 6.574613114148374, 2.6828301468343835e-18], [-1.5416304716538618e-32, 2.682830146834402e-18, 6.574613114148374]])
forces =  [[-1.08051151e-31  1.21557545e-31  4.72723786e-32]
 [ 6.75319694e-32  6.75319694e-33 -4.05191817e-32]
 [-1.07629076e-31  3.00728301e-32  1.85712916e-31]
 [-1.35063939e-32 -5.40255755e-32  5.40255755e-32]
 [-1.35063939e-32  8.77915603e-32 -1.35063939e-32]
 [ 4.05191817e-32 -9.45447572e-32 -2.70127878e-32]
 [ 2.02595908e-32  1.18180947e-31 -3.37659847e-32]
 [-9.45447572e-32  1.35063939e-31  1.35063939e-32]
 [ 1.57952106e-64 -1.35063939e-31 -6.07787725e-32]
 [ 8.10383633e-32 -1.21557545e-31  2.70127878e-32]
 [-4.72723786e-32  7.76617649e-32 -5.40255755e-32]
 [-1.01297954e-31 -1.35063939e-32  1.58700128e-31]
 [-6.41553710e-32  1.21557545e-31 -1.35063939e-32]
 [-1.35063939e-32  3.37659847e-32 -6.07787725e-32]
 [ 4.05191817e-32 -8.44149618e-32 -5.40255755e-32]
 [-9.45447572e-32  9.45447572e-32  6.41553710e-32]
 [ 2.02595908e-32 -5.74021740e-32 -4.05191817e-32]
 [-8.77915603e-32  5.90904733e-32  5.40255755e-32]
 [ 4.05191817e-32  6.07787725e-32 -6.75319694e-33]
 [-9.62330564e-32  2.70127878e-32 -9.79213557e-32]
 [ 9.45447572e-32  1.75583121e-31  6.75319694e-32]
 [ 1.28310742e-31 -1.01297954e-32  8.10383633e-32]
 [ 1.21557545e-31 -9.45447572e-32  6.75319694e-32]
 [ 2.49868287e-31 -1.75583121e-31 -5.40255755e-32]]
stress =  [-1.98100000e-11 -1.98100000e-11 -1.98100000e-11  4.34496859e-27
 -1.42577193e-34  1.52040180e-50]
energy per atom =  -3.97034678021657
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0