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 22:37:41      -52.865404         3.176139
BFGS:    1 22:37:41      -53.138358         1.892722
BFGS:    2 22:37:41      -53.343295         1.339354
BFGS:    3 22:37:41      -53.495800         1.070276
BFGS:    4 22:37:41      -53.602065         0.790891
BFGS:    5 22:37:41      -53.664221         0.500759
BFGS:    6 22:37:42      -53.684115         0.208916
BFGS:    7 22:37:42      -53.685160         0.207356
BFGS:    8 22:37:42      -53.700557         0.179475
BFGS:    9 22:37:42      -53.713897         0.151571
BFGS:   10 22:37:42      -53.725236         0.124425
BFGS:   11 22:37:42      -53.734580         0.098004
BFGS:   12 22:37:43      -53.741932         0.072343
BFGS:   13 22:37:43      -53.747290         0.047525
BFGS:   14 22:37:43      -53.750290         0.023949
BFGS:   15 22:37:43      -53.750459         0.012357
BFGS:   16 22:37:43      -53.750504         0.003519
BFGS:   17 22:37:44      -53.750506         0.000384
BFGS:   18 22:37:44      -53.750506         0.000024
BFGS:   19 22:37:44      -53.750506         0.000000
BFGS:   20 22:37:44      -53.750506         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.069393896242008e-31 eV/Angstrom
Maximum stress component: 2.998848345642397e-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]
 [3.94056012e-49 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [7.51194394e-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([[3.919583557456736, -5.6368802956510004e-36, -9.529550155886148e-33], [-5.7609135336359103e-36, 3.919583557456736, 2.6215061944962008e-17], [-7.702969404626932e-35, 5.032765266331654e-16, 8.39445892697541]])
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]
 [ 4.92562028e-32  3.01953734e-33 -5.17348474e-32]
 [ 1.20781493e-32  6.03907467e-33 -2.06939390e-31]
 [-6.03907467e-33  6.03907467e-33  5.17348474e-32]
 [ 2.41562987e-32 -6.03907467e-33  1.94005678e-31]]
stress =  [ 2.99884835e-10  2.99884835e-10  1.81808332e-10  2.14132130e-25
 -4.90035388e-45 -4.92860762e-60]
energy per atom =  -6.718813235017568
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0