element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_tI8_139_ad_b
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:
['3.5246', '2.3552176']
model name:
EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.5246, 0, 0], [0, 3.5246, 0], [0, 0, 8.3012]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:23:21      -34.136605         2.490328
BFGS:    1 15:23:21      -34.273777         2.328854
BFGS:    2 15:23:21      -34.446339         2.088542
BFGS:    3 15:23:21      -34.593634         1.837954
BFGS:    4 15:23:21      -34.714364         1.583988
BFGS:    5 15:23:21      -34.808761         1.341184
BFGS:    6 15:23:21      -34.879109         1.117998
BFGS:    7 15:23:21      -34.929522         0.918287
BFGS:    8 15:23:21      -34.965503         0.744712
BFGS:    9 15:23:21      -34.993083         0.602411
BFGS:   10 15:23:21      -35.017155         0.606569
BFGS:   11 15:23:21      -35.040237         0.674838
BFGS:   12 15:23:21      -35.063226         0.710913
BFGS:   13 15:23:21      -35.086284         0.721453
BFGS:   14 15:23:21      -35.109259         0.711537
BFGS:   15 15:23:21      -35.131831         0.685373
BFGS:   16 15:23:21      -35.153680         0.645419
BFGS:   17 15:23:21      -35.174517         0.593187
BFGS:   18 15:23:21      -35.194052         0.529903
BFGS:   19 15:23:21      -35.212107         0.456453
BFGS:   20 15:23:21      -35.228344         0.377969
BFGS:   21 15:23:21      -35.242106         0.303500
BFGS:   22 15:23:21      -35.253170         0.239104
BFGS:   23 15:23:21      -35.261640         0.180667
BFGS:   24 15:23:21      -35.267683         0.111464
BFGS:   25 15:23:21      -35.270136         0.058248
BFGS:   26 15:23:21      -35.270843         0.003170
BFGS:   27 15:23:21      -35.270845         0.000190
BFGS:   28 15:23:21      -35.270845         0.000023
BFGS:   29 15:23:21      -35.270845         0.000002
BFGS:   30 15:23:21      -35.270845         0.000000
BFGS:   31 15:23:21      -35.270845         0.000000
Minimization converged after 31 steps.
Maximum force component: 5.456071778551231e-32 eV/Angstrom
Maximum stress component: 7.035597288316306e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [6.99113093e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.70183543e-34]]
cellpar =  Cell([[3.5589467385507083, -7.250838301696349e-36, -4.5390728002240115e-32], [-2.8045501721469844e-36, 3.5589467385507074, -2.1446557629045028e-17], [-3.9757519735652216e-33, -4.903255806547881e-17, 7.082386088928021]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.38674054e-32 -2.19337027e-32 -4.36485742e-32]
 [-4.38674054e-32  2.19337027e-32  4.36485742e-32]
 [-4.38674054e-32  2.19337027e-32 -5.45607178e-32]
 [ 4.38674054e-32 -2.19337027e-32 -5.45607178e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 7.04910515e-12  7.04910515e-12  7.03559729e-11 -5.51484599e-26
 -1.52450179e-43  1.17801004e-58]
energy per atom =  -4.408855638002767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0