element(s):
['Ni', 'Zr']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.9594']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Zr']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.9594, 0, 0], [0, 6.9594, 0], [0, 0, 6.9594]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:00     -438.705225        27.726643
BFGS:    1 16:17:00     -442.713928        25.735482
BFGS:    2 16:17:00     -446.430202        23.843165
BFGS:    3 16:17:00     -449.867502        21.999376
BFGS:    4 16:17:00     -453.033517        20.225638
BFGS:    5 16:17:00     -455.938574        18.519525
BFGS:    6 16:17:00     -458.592639        16.878697
BFGS:    7 16:17:00     -461.005335        15.300896
BFGS:    8 16:17:00     -463.185950        13.783939
BFGS:    9 16:17:01     -465.143453        12.325721
BFGS:   10 16:17:01     -466.886501        10.924209
BFGS:   11 16:17:01     -468.423453         9.577440
BFGS:   12 16:17:01     -469.762376         8.283520
BFGS:   13 16:17:01     -470.911059         7.040617
BFGS:   14 16:17:01     -471.877023         5.846965
BFGS:   15 16:17:01     -472.667526         4.700857
BFGS:   16 16:17:01     -473.289575         3.600647
BFGS:   17 16:17:01     -473.750317         2.552383
BFGS:   18 16:17:01     -474.058079         1.570270
BFGS:   19 16:17:01     -474.222998         0.654370
BFGS:   20 16:17:01     -474.257002         0.016430
BFGS:   21 16:17:01     -474.257024         0.000239
BFGS:   22 16:17:01     -474.257024         0.000000
BFGS:   23 16:17:01     -474.257024         0.000000
Minimization converged after 23 steps.
Maximum force component: 2.381366460947638e-30 eV/Angstrom
Maximum stress component: 2.6656114120659317e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.11426157e-33 0.00000000e+00 5.00000000e-01]
 [4.61790605e-33 5.00000000e-01 4.67860211e-33]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[7.244977496600754, -1.3150804869195848e-33, 7.108391783423808e-34], [1.4344592839875606e-32, 7.244977496600754, -9.46941201256122e-18], [-1.2830536318506642e-32, -9.469412012561231e-18, 7.244977496600754]])
forces =  [[-3.57204969e-31 -4.16739131e-31  1.78602485e-31]
 [ 6.54875777e-31 -5.95341615e-31 -9.97197206e-31]
 [-2.97670808e-31  2.97670808e-31 -1.19068323e-31]
 [-6.88260828e-64  2.38136646e-31  6.54875777e-31]
 [ 2.38136646e-31 -2.38136646e-30  5.95341615e-32]
 [ 5.35807454e-31  3.57204969e-31  1.78602485e-31]
 [-2.38136646e-31 -2.38136646e-31  2.97670808e-31]
 [-1.19068323e-31 -4.76273292e-31 -2.97670808e-32]
 [-1.13114907e-30  5.65574534e-31 -2.38136646e-31]
 [-5.95341615e-32  2.38136646e-31 -3.11252039e-49]
 [-2.97670808e-31  5.95341615e-31  2.97670808e-31]
 [-3.57204969e-31  3.57204969e-31 -4.16739131e-31]
 [ 1.19068323e-31 -5.35807454e-31 -3.27437888e-31]
 [ 5.65574534e-31 -9.22779504e-31  4.16739131e-31]
 [-2.97670808e-31 -3.57204969e-31 -8.93012423e-32]
 [-2.38136646e-31 -5.35807454e-31 -1.78602485e-31]
 [ 2.38136646e-31  2.38136646e-31  1.19068323e-31]
 [-4.76273292e-31 -1.78602485e-31  7.14409938e-31]
 [-1.19068323e-31  8.93012423e-31 -6.54875777e-31]
 [ 3.57204969e-31  1.90509317e-30 -2.38136646e-31]
 [ 5.95341615e-32 -7.14409938e-31 -3.57204969e-31]
 [ 2.38136646e-31  9.52546584e-31  1.11626553e-30]
 [-4.76273292e-31 -9.52546584e-31 -2.38136646e-31]
 [ 3.57204969e-31  1.36172767e-48 -1.04184783e-30]]
stress =  [ 2.66561141e-14  2.66561141e-14  2.66561141e-14 -2.99438482e-30
 -2.00384944e-32 -1.44658095e-48]
energy per atom =  -19.760709328020038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0