element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8545']
model name:
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8545, 0, 0], [0, 5.8545, 0], [0, 0, 5.8545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:19:03      -66.090442         0.896466
BFGS:    1 09:19:03      -66.124657         0.884625
BFGS:    2 09:19:03      -66.253862         0.838004
BFGS:    3 09:19:03      -66.376028         0.790787
BFGS:    4 09:19:03      -66.491069         0.742993
BFGS:    5 09:19:03      -66.598897         0.694622
BFGS:    6 09:19:03      -66.699402         0.645083
BFGS:    7 09:19:03      -66.792307         0.593254
BFGS:    8 09:19:03      -66.877262         0.539076
BFGS:    9 09:19:03      -66.953908         0.482471
BFGS:   10 09:19:03      -67.021876         0.423334
BFGS:   11 09:19:03      -67.080777         0.361561
BFGS:   12 09:19:03      -67.130200         0.296792
BFGS:   13 09:19:03      -67.169642         0.228796
BFGS:   14 09:19:03      -67.198849         0.161028
BFGS:   15 09:19:03      -67.218182         0.097798
BFGS:   16 09:19:03      -67.228547         0.041962
BFGS:   17 09:19:03      -67.231267         0.007618
BFGS:   18 09:19:03      -67.231376         0.001139
BFGS:   19 09:19:03      -67.231378         0.000047
BFGS:   20 09:19:03      -67.231378         0.000000
BFGS:   21 09:19:04      -67.231378         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.1694186268233588e-31 eV/Angstrom
Maximum stress component: 6.5189609267330145e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', '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 3.46513318e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.73256659e-35]
 [0.00000000e+00 3.46513318e-35 5.00000000e-01]]
cellpar =  Cell([[5.558025750444999, -5.8220997973589955e-33, 2.220745304955266e-33], [-3.6404166285231445e-33, 5.558025750444999, -9.975926592876088e-19], [-1.9214107493630208e-33, -9.975926592876067e-19, 5.558025750444999]])
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]
 [-2.14087364e-32  5.42354657e-32  1.91251379e-31]
 [-2.71177328e-32 -7.42169530e-32  5.35218411e-32]
 [-3.42539783e-32  9.70529386e-32  5.13809675e-32]
 [-3.71084765e-32 -8.84894440e-32 -1.56997401e-31]
 [-1.71269892e-32  5.70899639e-32 -1.99814874e-32]
 [-2.56904837e-32 -5.42354657e-32 -2.16941863e-31]
 [-1.71269892e-32 -3.99629747e-32  8.13531985e-32]
 [ 5.70899639e-33  8.56349458e-32  2.15514614e-31]
 [ 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]]
stress =  [ 6.51896093e-12  6.51896093e-12  6.51896093e-12  2.05700376e-29
  0.00000000e+00 -3.25304501e-61]
energy per atom =  -4.2019611439470195
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0