element(s):
['Fe', 'Nb']
AFLOW prototype label:
AB3_tI8_139_a_bd
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:
['3.966', '2.3002269']
model name:
MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Nb', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.966, 0, 0], [0, 3.966, 0], [0, 0, 9.1227]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:54:18      -52.865404         3.176139
BFGS:    1 16:54:18      -53.138358         1.892722
BFGS:    2 16:54:18      -53.343295         1.339354
BFGS:    3 16:54:19      -53.495800         1.070276
BFGS:    4 16:54:19      -53.602065         0.790891
BFGS:    5 16:54:19      -53.664221         0.500759
BFGS:    6 16:54:19      -53.684115         0.208916
BFGS:    7 16:54:19      -53.685160         0.207356
BFGS:    8 16:54:19      -53.700557         0.179475
BFGS:    9 16:54:19      -53.713897         0.151571
BFGS:   10 16:54:19      -53.725236         0.124425
BFGS:   11 16:54:19      -53.734580         0.098004
BFGS:   12 16:54:19      -53.741932         0.072343
BFGS:   13 16:54:19      -53.747290         0.047525
BFGS:   14 16:54:19      -53.750290         0.023949
BFGS:   15 16:54:19      -53.750459         0.012357
BFGS:   16 16:54:19      -53.750504         0.003519
BFGS:   17 16:54:19      -53.750506         0.000384
BFGS:   18 16:54:19      -53.750506         0.000024
BFGS:   19 16:54:19      -53.750506         0.000000
BFGS:   20 16:54:19      -53.750506         0.000000
Minimization converged after 20 steps.
Maximum force component: 9.312272533089028e-31 eV/Angstrom
Maximum stress component: 2.9988278179021833e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.21200204e-34]
 [3.08158195e-33 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 1.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.9195835574567353, -2.088716327654619e-36, 2.5995963280188197e-32], [1.7478385162314558e-36, 3.9195835574567344, -4.596977217509611e-18], [-1.6804318388310725e-32, 4.2336114338347233e-16, 8.394458926975403]])
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]
 [-2.41562987e-32 -1.20781493e-32 -9.31227253e-31]
 [-1.20781493e-32  1.20781493e-32 -5.17348474e-31]
 [-1.20781493e-32  1.20781493e-32 -2.58674237e-31]
 [-2.41562987e-32 -1.20781493e-32  6.20818169e-31]]
stress =  [ 2.99882782e-10  2.99882782e-10  1.81806662e-10  8.35979519e-26
 -7.49234592e-34 -3.44511450e-49]
energy per atom =  -6.71881323501757
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0