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 16:14:53      -94.117113         0.603985
BFGS:    1 16:14:53      -94.132747         0.604007
BFGS:    2 16:14:54      -94.223558         0.607825
BFGS:    3 16:14:54      -94.315379         0.617336
BFGS:    4 16:14:54      -94.408989         0.631276
BFGS:    5 16:14:54      -94.504784         0.645676
BFGS:    6 16:14:54      -94.602489         0.656043
BFGS:    7 16:14:54      -94.701202         0.658527
BFGS:    8 16:14:54      -94.799489         0.649871
BFGS:    9 16:14:54      -94.895470         0.627355
BFGS:   10 16:14:54      -94.986891         0.588749
BFGS:   11 16:14:54      -95.071200         0.532263
BFGS:   12 16:14:54      -95.145606         0.456550
BFGS:   13 16:14:54      -95.207198         0.361535
BFGS:   14 16:14:54      -95.253157         0.248335
BFGS:   15 16:14:54      -95.280868         0.118541
BFGS:   16 16:14:54      -95.288241         0.012793
BFGS:   17 16:14:54      -95.288323         0.000486
BFGS:   18 16:14:54      -95.288323         0.000002
BFGS:   19 16:14:54      -95.288323         0.000000
Minimization converged after 19 steps.
Maximum force component: 4.862301799410957e-31 eV/Angstrom
Maximum stress component: 1.9810668707868302e-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([[6.574613114148373, 3.3446015133581644e-33, -2.9249346068441366e-32], [1.7798367095147943e-33, 6.574613114148373, 1.732853058978299e-17], [9.420625148084567e-33, 1.732853058978298e-17, 6.574613114148373]])
forces =  [[-3.24153453e-31 -1.08051151e-31 -2.16102302e-31]
 [-2.70127878e-31  1.62076727e-31 -1.89089514e-31]
 [ 4.59217392e-31  1.08051151e-31 -1.62076727e-31]
 [-1.08051151e-31 -3.78179029e-31 -9.96756274e-49]
 [-1.89089514e-31  4.32204604e-31 -1.35063939e-31]
 [-5.40255755e-32 -8.10383633e-32 -2.70127878e-31]
 [-5.40255755e-32 -5.40255755e-32 -5.40255755e-32]
 [-3.24153453e-31 -1.35063939e-31 -1.35063939e-31]
 [-3.78179029e-31  1.62076727e-31  1.08051151e-31]
 [-1.08051151e-31 -2.16102302e-31 -3.78179029e-31]
 [-1.62076727e-31  2.16102302e-31 -2.16102302e-31]
 [ 3.78179029e-31 -2.84787507e-49 -1.08051151e-31]
 [-3.24153453e-31 -1.08051151e-31 -1.89089514e-31]
 [ 2.70127878e-32 -5.40255755e-32 -3.78179029e-31]
 [ 1.08051151e-31 -1.08051151e-31 -2.16102302e-31]
 [-4.86230180e-31 -1.08051151e-31 -5.40255755e-32]
 [ 3.03893862e-32  8.44149618e-32 -2.02595908e-32]
 [-3.37659847e-32 -2.02595908e-32 -2.70127878e-32]
 [ 3.37659847e-33 -5.40255755e-32 -3.20776855e-32]
 [ 6.75319694e-33  5.40255755e-32 -3.71425832e-32]
 [ 3.54542840e-32 -2.11037404e-32  2.57465633e-32]
 [ 1.01297954e-32 -8.32806357e-32 -7.42851664e-32]
 [ 2.95452366e-33 -2.23172055e-32  5.06489771e-33]
 [ 1.35063939e-32  6.92202687e-32 -6.75319694e-32]]
stress =  [-1.98106687e-11 -1.98106687e-11 -1.98106687e-11 -6.07534156e-27
 -1.33638236e-51  1.95562701e-60]
energy per atom =  -3.9703467802165657
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0