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_NiFe__MO_321233176498_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 23:15:41      -69.255379         0.822510
BFGS:    1 23:15:41      -69.283990         0.800750
BFGS:    2 23:15:41      -69.397033         0.705873
BFGS:    3 23:15:42      -69.495563         0.607217
BFGS:    4 23:15:42      -69.579004         0.504668
BFGS:    5 23:15:42      -69.646763         0.398107
BFGS:    6 23:15:43      -69.698229         0.287412
BFGS:    7 23:15:43      -69.732773         0.172458
BFGS:    8 23:15:44      -69.749747         0.053117
BFGS:    9 23:15:44      -69.751477         0.001445
BFGS:   10 23:15:44      -69.751478         0.000012
BFGS:   11 23:15:45      -69.751478         0.000000
Minimization converged after 11 steps.
Maximum force component: 7.699941637209943e-31 eV/Angstrom
Maximum stress component: 2.1087107402559923e-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 6.74085084e-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 2.39483130e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 6.74085084e-35]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.714204303066228, 2.1880030791107591e-32, -1.333411911913548e-32], [3.169139286031111e-32, 5.714204303066228, 6.178581621772723e-18], [9.31456641830622e-33, 6.178581621772698e-18, 5.714204303066228]])
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]
 [-4.40206287e-31 -4.28467453e-31 -1.32061886e-32]
 [ 8.43728717e-32  4.80375111e-31  2.92003504e-31]
 [-3.14747495e-31 -4.87161624e-31 -3.93250950e-31]
 [-4.69553373e-32  3.22817944e-31 -5.86941716e-33]
 [-2.05429601e-31 -4.69553373e-31 -2.17168435e-31]
 [ 1.51871169e-31  6.84520776e-31 -5.86941716e-32]
 [ 2.11299018e-31  7.69994164e-31  3.99120367e-31]
 [-1.44534398e-31 -5.28247544e-31  3.05209692e-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 =  [ 2.10871074e-10  2.10871074e-10  2.10871074e-10  7.69169383e-27
 -3.14577521e-35 -1.24872616e-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