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 19:22:14     -438.705225       27.7266
BFGS:    1 19:22:14     -442.713928       25.7355
BFGS:    2 19:22:14     -446.430202       23.8432
BFGS:    3 19:22:14     -449.867502       21.9994
BFGS:    4 19:22:14     -453.033517       20.2256
BFGS:    5 19:22:14     -455.938574       18.5195
BFGS:    6 19:22:15     -458.592639       16.8787
BFGS:    7 19:22:15     -461.005335       15.3009
BFGS:    8 19:22:15     -463.185950       13.7839
BFGS:    9 19:22:15     -465.143453       12.3257
BFGS:   10 19:22:15     -466.886501       10.9242
BFGS:   11 19:22:15     -468.423453        9.5774
BFGS:   12 19:22:15     -469.762376        8.2835
BFGS:   13 19:22:15     -470.911059        7.0406
BFGS:   14 19:22:15     -471.877023        5.8470
BFGS:   15 19:22:15     -472.667526        4.7009
BFGS:   16 19:22:15     -473.289575        3.6006
BFGS:   17 19:22:15     -473.750317        2.5524
BFGS:   18 19:22:15     -474.058079        1.5703
BFGS:   19 19:22:15     -474.222998        0.6544
BFGS:   20 19:22:15     -474.257002        0.0164
BFGS:   21 19:22:15     -474.257024        0.0002
BFGS:   22 19:22:15     -474.257024        0.0000
BFGS:   23 19:22:15     -474.257024        0.0000
Minimization converged after 23 steps.
Maximum force component: 4.375760871991285e-30 eV/Angstrom
Maximum stress component: 3.367366214239206e-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 1.29107717e-34 4.84106670e-33]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 1.30256536e-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([[7.244977496600756, 2.93344904132385e-33, 3.2491380766759044e-33], [-4.947629041495356e-34, 7.244977496600756, 1.7763302215509642e-18], [-3.2517665979271e-33, 1.7763302215509673e-18, 7.244977496600756]])
forces =  [[-1.30975155e-30 -3.57204969e-31  4.76273292e-31]
 [-1.78602485e-31 -3.09577640e-30 -1.44370342e-30]
 [ 1.19068323e-30 -9.52546584e-31  2.32183230e-30]
 [ 7.14409938e-31  4.37576087e-30 -4.76273292e-31]
 [ 2.14322981e-30  1.48835404e-31 -1.93486025e-31]
 [ 1.74137422e-30 -8.93012423e-31  3.34879659e-31]
 [-4.76273292e-31 -1.19068323e-31  1.22045031e-30]
 [-1.45858696e-30 -5.35807454e-31  4.01855590e-31]
 [-8.93012423e-31 -2.08369565e-31 -2.38136646e-31]
 [ 2.20276398e-30 -3.57204969e-31  1.29486801e-30]
 [-1.73393245e-30  2.02416149e-30 -1.07161491e-30]
 [ 2.27718168e-30 -7.14409938e-31  1.90509317e-30]
 [-1.66695652e-30 -9.52546584e-31  3.27437888e-31]
 [-3.27437888e-31 -4.13762423e-30  6.54875777e-31]
 [ 1.78602485e-31 -3.57204969e-31  5.95341615e-31]
 [-5.95341615e-31 -3.86972050e-31  1.19068323e-31]
 [-8.33478261e-31 -4.76273292e-31 -4.83715062e-31]
 [-4.76273292e-31  4.46506211e-31  2.38136646e-31]
 [ 3.57204969e-31  1.78602485e-31 -5.58132764e-31]
 [-4.76273292e-31 -3.57204969e-31  8.33478261e-31]
 [-4.76273292e-31  7.73944100e-31 -1.83303009e-30]
 [-3.88832492e-31 -9.52546584e-31  1.19068323e-30]
 [-3.86972050e-31  5.95341615e-31 -1.19068323e-31]
 [-6.54875777e-31  1.16091615e-30 -1.78602485e-30]]
stress =  [3.36736621e-14 3.36736621e-14 3.36736621e-14 1.25920604e-32
 6.26202951e-34 3.17908743e-52]
energy per atom =  -19.760709328020052
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0