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_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_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 16:33:13      -34.136605         2.490328
BFGS:    1 16:33:13      -34.273777         2.328854
BFGS:    2 16:33:13      -34.446339         2.088542
BFGS:    3 16:33:13      -34.593634         1.837954
BFGS:    4 16:33:13      -34.714364         1.583988
BFGS:    5 16:33:14      -34.808761         1.341184
BFGS:    6 16:33:14      -34.879109         1.117998
BFGS:    7 16:33:14      -34.929522         0.918287
BFGS:    8 16:33:14      -34.965503         0.744712
BFGS:    9 16:33:14      -34.993083         0.602411
BFGS:   10 16:33:14      -35.017155         0.606569
BFGS:   11 16:33:14      -35.040237         0.674838
BFGS:   12 16:33:14      -35.063226         0.710913
BFGS:   13 16:33:15      -35.086284         0.721453
BFGS:   14 16:33:15      -35.109259         0.711537
BFGS:   15 16:33:15      -35.131831         0.685373
BFGS:   16 16:33:15      -35.153680         0.645419
BFGS:   17 16:33:15      -35.174517         0.593187
BFGS:   18 16:33:15      -35.194052         0.529903
BFGS:   19 16:33:15      -35.212107         0.456453
BFGS:   20 16:33:16      -35.228344         0.377969
BFGS:   21 16:33:16      -35.242106         0.303500
BFGS:   22 16:33:16      -35.253170         0.239104
BFGS:   23 16:33:16      -35.261640         0.180667
BFGS:   24 16:33:16      -35.267683         0.111464
BFGS:   25 16:33:16      -35.270136         0.058248
BFGS:   26 16:33:16      -35.270843         0.003170
BFGS:   27 16:33:16      -35.270845         0.000190
BFGS:   28 16:33:17      -35.270845         0.000023
BFGS:   29 16:33:17      -35.270845         0.000002
BFGS:   30 16:33:17      -35.270845         0.000000
BFGS:   31 16:33:17      -35.270845         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.3094572268527636e-31 eV/Angstrom
Maximum stress component: 7.035605951644454e-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]
 [1.20148267e-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 4.35091772e-34]]
cellpar =  Cell([[3.5589467385547695, 1.5369290868370135e-36, 5.999556398680666e-32], [2.2192605865699807e-36, 3.5589467385547673, 2.3675709738164717e-17], [-1.628940342509721e-33, 5.367928610405371e-17, 7.082386088930553]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.38674054e-32 -1.09668514e-32 -1.30945723e-31]
 [-6.58011081e-32  6.61648285e-49  8.72971485e-32]
 [-4.38674054e-32  1.09668514e-32 -1.09121436e-31]
 [-2.19337027e-32 -5.37589231e-49 -7.09289331e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 7.04904040e-12  7.04904040e-12  7.03560595e-11  3.86658047e-26
 -6.24617989e-44 -3.43275129e-59]
energy per atom =  -4.408855638002668
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0