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 20:03:15     -165.834787       10.8115
BFGS:    1 20:03:15     -167.413527       10.2270
BFGS:    2 20:03:15     -168.899353        9.5718
BFGS:    3 20:03:15     -170.281229        8.8400
BFGS:    4 20:03:15     -171.547214        8.0255
BFGS:    5 20:03:15     -172.684392        7.1214
BFGS:    6 20:03:15     -173.678799        6.1206
BFGS:    7 20:03:15     -174.518040        5.0699
BFGS:    8 20:03:15     -175.188731        3.8531
BFGS:    9 20:03:15     -175.667859        2.5141
BFGS:   10 20:03:15     -175.936381        1.0433
BFGS:   11 20:03:15     -175.987977        0.0857
BFGS:   12 20:03:15     -175.988312        0.0026
BFGS:   13 20:03:15     -175.988312        0.0000
BFGS:   14 20:03:15     -175.988312        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.1934065424394629e-29 eV/Angstrom
Maximum stress component: 2.8822353521808893e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   1.   1.  ]
 [0.   0.5  0.5 ]
 [0.5  1.   0.5 ]
 [0.5  0.5  1.  ]]
cellpar =  Cell([[5.6510101908408314, -1.8078660000796e-32, 4.033876096043448e-35], [-7.227480768109336e-33, 5.6510101908408314, -1.5357610996852067e-17], [1.4425342339231777e-33, -1.535761099685207e-17, 5.6510101908408314]])
forces =  [[-7.42976836e-31  7.98700098e-30  1.19340654e-29]
 [-2.76294511e-30 -5.75807048e-30  1.34664551e-30]
 [-3.70327517e-30  7.80125678e-30 -5.38658206e-30]
 [-3.71488418e-30 -4.50429707e-30  1.85744209e-31]
 [ 6.68679152e-30  6.87253573e-30 -4.08637260e-30]
 [-1.28279594e-30 -9.65869886e-30 -2.60041893e-30]
 [-1.48595367e-30 -8.68354177e-30 -1.04481118e-31]
 [ 4.45786101e-30  7.42976836e-30  1.92709617e-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 -7.32933822e-28
  2.88200707e-32  1.19324628e-49]
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