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 09:16:17      -52.865404        3.1761
BFGS:    1 09:16:17      -53.138358        1.8927
BFGS:    2 09:16:17      -53.343295        1.3394
BFGS:    3 09:16:17      -53.495800        1.0703
BFGS:    4 09:16:17      -53.602065        0.7909
BFGS:    5 09:16:17      -53.664221        0.5008
BFGS:    6 09:16:17      -53.684115        0.2089
BFGS:    7 09:16:17      -53.685160        0.2074
BFGS:    8 09:16:17      -53.700557        0.1795
BFGS:    9 09:16:17      -53.713897        0.1516
BFGS:   10 09:16:17      -53.725236        0.1244
BFGS:   11 09:16:17      -53.734580        0.0980
BFGS:   12 09:16:17      -53.741932        0.0723
BFGS:   13 09:16:17      -53.747290        0.0475
BFGS:   14 09:16:17      -53.750290        0.0239
BFGS:   15 09:16:17      -53.750459        0.0124
BFGS:   16 09:16:17      -53.750504        0.0035
BFGS:   17 09:16:17      -53.750506        0.0004
BFGS:   18 09:16:17      -53.750506        0.0000
BFGS:   19 09:16:17      -53.750506        0.0000
BFGS:   20 09:16:17      -53.750506        0.0000
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