element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6153']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.6153, 0, 0], [0, 6.6153, 0], [0, 0, 6.6153]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:05:40     -100.549946        1.6795
BFGS:    1 13:05:40     -100.671338        1.6920
BFGS:    2 13:05:40     -100.925295        1.6863
BFGS:    3 13:05:40     -101.174551        1.6270
BFGS:    4 13:05:40     -101.410077        1.5021
BFGS:    5 13:05:40     -101.622070        1.3150
BFGS:    6 13:05:40     -101.802012        1.0767
BFGS:    7 13:05:40     -101.943153        0.7998
BFGS:    8 13:05:40     -102.040709        0.4980
BFGS:    9 13:05:40     -102.092059        0.1864
BFGS:   10 13:05:40     -102.100482        0.0021
BFGS:   11 13:05:40     -102.100483        0.0000
BFGS:   12 13:05:40     -102.100483        0.0000
Minimization converged after 12 steps.
Maximum force component: 6.19973429827283e-31 eV/Angstrom
Maximum stress component: 4.812426261977356e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[3.20988324e-34 8.34569148e-33 0.00000000e+00]
 [4.04445288e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.18699684e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.490092927554968, 5.071341809220753e-33, -1.976374562512703e-34], [-4.0335759085188004e-33, 6.490092927554968, 7.226061335829875e-18], [2.9080202346660706e-34, 7.226061335829873e-18, 6.490092927554968]])
forces =  [[-5.08311549e-32 -9.16627383e-33 -5.33310477e-32]
 [-1.27494536e-31  2.66655239e-32 -1.43327191e-31]
 [-1.59993143e-31 -5.93787217e-50 -5.33310477e-32]
 [-1.33327619e-31 -2.27490250e-31 -1.34994215e-31]
 [ 1.99991429e-31  2.63322048e-31 -2.66655239e-32]
 [-7.99965716e-32 -7.86619934e-32  1.66659524e-31]
 [ 1.06662095e-31 -3.19986286e-31  1.06662095e-31]
 [-1.46660381e-31 -2.13324191e-31  5.33310477e-32]
 [ 7.99965716e-32 -3.99982858e-31 -1.39994000e-31]
 [-1.73325905e-31  6.19973430e-31 -6.66638097e-32]
 [ 6.47300606e-65 -6.66638097e-32  5.19977715e-31]
 [-1.33327619e-32  6.13307049e-31 -3.06653524e-31]
 [ 2.66655239e-31  5.33310477e-31 -6.66638097e-32]
 [-1.33327619e-32  1.26661238e-31 -1.33327619e-31]
 [-7.33301906e-32 -1.09995286e-31  3.19986286e-31]
 [-7.99965716e-32 -4.39981144e-31 -1.59993143e-31]
 [ 1.33327619e-31  3.19986286e-31 -1.26661238e-31]
 [ 1.46660381e-31  1.46660381e-31  1.63291485e-49]
 [ 1.86658667e-31  4.36856278e-31  2.13324191e-31]
 [-1.06662095e-31  5.33310477e-32  5.19977715e-31]
 [ 1.33327619e-32 -4.26648382e-31 -1.86658667e-31]
 [-1.33327619e-31  3.99982858e-31  1.06662095e-31]
 [ 2.39989715e-31 -3.43318620e-31  6.66638097e-32]
 [ 1.07495393e-31 -3.19986286e-31 -2.06657810e-31]]
stress =  [4.81242626e-10 4.81242626e-10 4.81242626e-10 2.00550564e-26
 6.09645527e-36 5.54427275e-53]
energy per atom =  -4.254186785887279
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0