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:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== 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 09:19:16      -69.255379         0.822510
BFGS:    1 09:19:16      -69.283990         0.800750
BFGS:    2 09:19:16      -69.397033         0.705873
BFGS:    3 09:19:16      -69.495563         0.607217
BFGS:    4 09:19:16      -69.579004         0.504668
BFGS:    5 09:19:16      -69.646763         0.398107
BFGS:    6 09:19:16      -69.698229         0.287412
BFGS:    7 09:19:16      -69.732773         0.172458
BFGS:    8 09:19:16      -69.749747         0.053117
BFGS:    9 09:19:16      -69.751477         0.001445
BFGS:   10 09:19:16      -69.751478         0.000012
BFGS:   11 09:19:16      -69.751478         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.5377872960068641e-30 eV/Angstrom
Maximum stress component: 2.10870451023343e-10 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.74085084e-35]
 [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 0.00000000e+00]
 [2.99353912e-50 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.714204303066227, -1.9684282132326844e-32, -2.053078775019882e-33], [-2.3596663571106628e-32, 5.714204303066227, 3.921594498805432e-18], [2.2766716339247465e-33, 3.921594498805428e-18, 5.714204303066227]])
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]
 [-3.52165030e-31  8.33457237e-31 -8.99855018e-31]
 [ 5.98680550e-31 -1.52384743e-30 -4.57814539e-31]
 [-2.93470858e-32  1.53778730e-30  1.64343680e-31]
 [-3.52165030e-32 -1.29604068e-30 -6.92591225e-31]
 [-1.29127178e-31  1.17388343e-30  8.21718402e-32]
 [-2.55319646e-31 -1.11518926e-30  1.29127178e-31]
 [ 4.69553373e-31 -1.18122020e-30 -1.70213098e-31]
 [-1.93690766e-31  1.24431644e-30  3.78577407e-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 =  [ 2.10870451e-10  2.10870451e-10  2.10870451e-10 -6.05800591e-28
  5.66239538e-34 -1.01950935e-51]
energy per atom =  -4.3594674046863275
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0