element(s):
['Nb', 'Ni']
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:
['3.6143', '2.0595689']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6143, 0, 0], [0, 3.6143, 0], [0, 0, 7.4439]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:17:44     -141.872331       50.5176
BFGS:    1 09:17:44     -148.173075       42.5858
BFGS:    2 09:17:44     -153.330191       35.5882
BFGS:    3 09:17:44     -157.552002       29.3685
BFGS:    4 09:17:44     -160.986073       23.8050
BFGS:    5 09:17:44     -163.698959       18.8432
BFGS:    6 09:17:44     -165.793788       14.4616
BFGS:    7 09:17:44     -167.338769       10.5404
BFGS:    8 09:17:44     -168.405274        7.0741
BFGS:    9 09:17:44     -169.056869        3.9887
BFGS:   10 09:17:44     -169.353720        1.2812
BFGS:   11 09:17:44     -169.389090        0.2053
BFGS:   12 09:17:44     -169.390428        0.2396
BFGS:   13 09:17:44     -169.391934        0.1721
BFGS:   14 09:17:44     -169.392435        0.0607
BFGS:   15 09:17:44     -169.392507        0.0107
BFGS:   16 09:17:44     -169.392510        0.0008
BFGS:   17 09:17:44     -169.392510        0.0001
BFGS:   18 09:17:44     -169.392510        0.0000
BFGS:   19 09:17:44     -169.392510        0.0000
BFGS:   20 09:17:44     -169.392510        0.0000
Minimization converged after 20 steps.
Maximum force component: 7.666891783200036e-30 eV/Angstrom
Maximum stress component: 3.457827570855938e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 9.59036945e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [1.00865571e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 3.99598727e-33 2.50000000e-01]
 [1.38703120e-33 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.11887644e-32 7.50000000e-01]]
cellpar =  Cell([[3.855727885197858, -3.831866022927731e-36, 1.2342221518026448e-32], [2.5837798143343576e-35, 3.855727885197858, 3.298178703744835e-17], [-1.8577879911029386e-32, 6.872850966168169e-17, 7.726859107266311]])
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]
 [ 1.56221567e-31  9.50510309e-32 -6.09541707e-30]
 [-9.50510309e-32 -2.49508956e-31 -6.09541707e-30]
 [-9.50510309e-32 -2.37627577e-31  7.66689178e-30]
 [ 1.42576546e-31  1.18813789e-31  4.04773790e-30]]
stress =  [-3.45782757e-11 -3.45782757e-11 -2.22302978e-11 -4.39357189e-27
  1.31512975e-43  1.47164569e-59]
energy per atom =  -21.17406372937861
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0