element(s):
['Nb', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7976']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.7976, 0, 0], [0, 6.7976, 0], [0, 0, 6.7976]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:18:30     -628.320854       19.4516
BFGS:    1 17:18:30     -631.082942       17.3900
BFGS:    2 17:18:30     -633.541928       15.4098
BFGS:    3 17:18:30     -635.709802       13.5081
BFGS:    4 17:18:30     -637.598134       11.6821
BFGS:    5 17:18:30     -639.218087        9.9292
BFGS:    6 17:18:30     -640.580429        8.2469
BFGS:    7 17:18:30     -641.695551        6.6326
BFGS:    8 17:18:30     -642.573479        5.0839
BFGS:    9 17:18:30     -643.223883        3.5985
BFGS:   10 17:18:30     -643.659287        2.2217
BFGS:   11 17:18:31     -643.889364        0.8557
BFGS:   12 17:18:31     -643.930761        0.0291
BFGS:   13 17:18:31     -643.930810        0.0004
BFGS:   14 17:18:31     -643.930810        0.0000
BFGS:   15 17:18:31     -643.930810        0.0000
Minimization converged after 15 steps.
Maximum force component: 2.517394171194078e-30 eV/Angstrom
Maximum stress component: 8.025604999558817e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Nb', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', '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 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 8.85158652e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.962566324636842, -1.8294034450229558e-32, 3.8487980912666822e-34], [-9.082858425439516e-34, 6.962566324636842, 2.8682756440990825e-17], [-4.990701139887382e-34, 2.86827564409908e-17, 6.962566324636842]])
forces =  [[ 8.00989054e-31 -8.58202558e-31  3.43281023e-31]
 [ 4.57708031e-31 -1.02984307e-30  3.43281023e-31]
 [ 1.14427008e-31  4.57708031e-31  1.88555877e-48]
 [-6.86562047e-31  2.28854016e-30  5.72135039e-31]
 [ 3.28977647e-31 -1.30875890e-30  1.14427008e-30]
 [ 8.00989054e-31 -5.36376599e-32  4.12116020e-31]
 [ 1.14427008e-30  2.12125361e-48  5.14921535e-31]
 [ 1.54476461e-30  2.51739417e-30  1.03705732e-47]
 [-3.71887775e-31 -1.41416908e-48 -3.43281023e-31]
 [ 4.86314783e-31  1.88804563e-30  3.43281023e-31]
 [-2.28854016e-31  2.28854016e-31  2.28854016e-31]
 [ 1.83083212e-30  1.14427008e-30  5.72135039e-32]
 [ 2.28854016e-31  5.72135039e-32  5.72135039e-31]
 [ 7.15168799e-33 -9.15416062e-31 -2.86067519e-31]
 [-8.80871779e-65  8.00989054e-31 -2.28854016e-31]
 [-1.08705657e-30 -9.15416062e-31 -1.02984307e-30]
 [ 5.43528287e-31 -5.72135039e-31 -3.43281023e-31]
 [-2.28854016e-31 -6.57955295e-31 -4.29101279e-31]
 [-1.63462121e-64  1.31591059e-30 -1.14427008e-31]
 [-7.50927239e-31  4.14797903e-31 -2.28854016e-31]
 [-1.25869709e-30 -1.43033760e-31 -6.86562047e-31]
 [ 1.71640512e-30 -8.58202558e-31 -3.53542269e-48]
 [ 5.72135039e-31  2.86067519e-31  9.72629566e-31]
 [-8.00989054e-31 -2.35694846e-49 -5.72135039e-32]]
stress =  [-8.02560500e-14 -8.02560500e-14 -8.02560500e-14  6.86268348e-32
  2.27358432e-63  1.89051570e-63]
energy per atom =  -26.83045040962315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0