element(s):
['Al', 'Pt']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9136']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.9136, 0, 0], [0, 5.9136, 0], [0, 0, 5.9136]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:02     -165.834787        10.811533
BFGS:    1 16:09:02     -167.413527        10.227002
BFGS:    2 16:09:02     -168.899353         9.571758
BFGS:    3 16:09:02     -170.281229         8.839996
BFGS:    4 16:09:02     -171.547214         8.025461
BFGS:    5 16:09:02     -172.684392         7.121412
BFGS:    6 16:09:02     -173.678799         6.120581
BFGS:    7 16:09:02     -174.518040         5.069905
BFGS:    8 16:09:03     -175.188731         3.853077
BFGS:    9 16:09:03     -175.667859         2.514148
BFGS:   10 16:09:03     -175.936381         1.043304
BFGS:   11 16:09:03     -175.987977         0.085732
BFGS:   12 16:09:03     -175.988312         0.002604
BFGS:   13 16:09:03     -175.988312         0.000006
BFGS:   14 16:09:03     -175.988312         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.6438362491189488e-29 eV/Angstrom
Maximum stress component: 2.882235352180891e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.68852964e-65 1.00000000e+00 1.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]]
cellpar =  Cell([[5.6510101908408314, 1.047847513038582e-32, -2.5030239665828538e-33], [1.0540062293446662e-32, 5.6510101908408314, -8.125645655016597e-18], [1.2656952364593268e-33, -8.125645655016597e-18, 5.6510101908408314]])
forces =  [[-1.85744209e-31  9.84444307e-30 -4.94543956e-30]
 [ 4.10959062e-30 -7.01184389e-30  3.52913997e-30]
 [-9.17112032e-31  9.84444307e-30  2.22893051e-30]
 [ 5.57232627e-31 -5.54910824e-30  7.42976836e-30]
 [ 1.48595367e-30  6.50104731e-30 -7.42976836e-31]
 [-9.11307525e-31 -1.64383625e-29  4.64360522e-30]
 [-5.57232627e-31 -1.34664551e-29 -3.02995241e-30]
 [ 2.41467472e-30  7.98700098e-30 -5.30531897e-30]
 [ 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]]
stress =  [-2.88223535e-11 -2.88223535e-11 -2.88223535e-11  1.40007341e-27
 -3.29372237e-32  1.22316885e-48]
energy per atom =  -14.665692699770998
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0