element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:53:05      -35.377391         0.595442
BFGS:    1 15:53:05      -35.388492         0.559413
BFGS:    2 15:53:05      -35.438142         0.342979
BFGS:    3 15:53:05      -35.461541         0.126608
BFGS:    4 15:53:05      -35.464116         0.166388
BFGS:    5 15:53:05      -35.464599         0.169706
BFGS:    6 15:53:05      -35.471315         0.157937
BFGS:    7 15:53:05      -35.474914         0.098156
BFGS:    8 15:53:05      -35.476855         0.028597
BFGS:    9 15:53:05      -35.477076         0.003993
BFGS:   10 15:53:05      -35.477082         0.000293
BFGS:   11 15:53:05      -35.477082         0.000025
BFGS:   12 15:53:05      -35.477082         0.000001
BFGS:   13 15:53:05      -35.477082         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.4720673266056675e-31 eV/Angstrom
Maximum stress component: 6.510158915406693e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.44442229e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.46969102e-35]
 [4.09072034e-36 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.72221115e-35 2.50000000e-01]
 [6.77084746e-36 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 3.81109560e-34 7.50000000e-01]]
cellpar =  Cell([[3.537436739485407, -7.540230349546299e-37, -6.734190497940659e-32], [1.0237180935573542e-37, 3.537436739485407, 1.2633339941087238e-18], [3.266172714318855e-33, 2.0974405367925415e-18, 7.042189168967197]])
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]
 [-4.02586869e-65 -2.58529506e-50 -8.68016832e-32]
 [-1.61034748e-64 -1.03411803e-49 -3.47206733e-31]
 [ 1.05679053e-64  6.78639954e-50  2.27854418e-31]
 [-5.53556945e-65 -3.55478071e-50 -1.19352314e-31]]
stress =  [6.51015892e-10 6.51015892e-10 1.77140492e-10 1.89032551e-25
 9.66393790e-36 6.38790969e-51]
energy per atom =  -4.4346352434405505
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0