element(s):
['Al', 'Pt']
AFLOW prototype label:
AB_cP8_198_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8848', '0.84342988', '0.1552473']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.84342988 0.84342988 0.84342988]
 [0.1552473  0.1552473  0.1552473 ]]
spacegroup =  198
cell =  [[4.8848, 0, 0], [0, 4.8848, 0], [0, 0, 4.8848]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:37:20     -156.333116        19.651252
BFGS:    1 12:37:20     -159.282512        18.997127
BFGS:    2 12:37:20     -162.117105        18.163235
BFGS:    3 12:37:20     -164.799084        17.099778
BFGS:    4 12:37:20     -167.298110        15.827418
BFGS:    5 12:37:20     -169.580317        14.292709
BFGS:    6 12:37:20     -171.606282        12.463352
BFGS:    7 12:37:20     -173.332240        10.337725
BFGS:    8 12:37:20     -174.707049         7.825489
BFGS:    9 12:37:20     -175.678842         4.951533
BFGS:   10 12:37:20     -176.176331         1.576762
BFGS:   11 12:37:20     -176.220420         0.704982
BFGS:   12 12:37:20     -176.212651         0.968104
BFGS:   13 12:37:20     -176.227253         0.054870
BFGS:   14 12:37:20     -176.227284         0.049374
BFGS:   15 12:37:20     -176.227320         0.017909
BFGS:   16 12:37:20     -176.227329         0.005470
BFGS:   17 12:37:20     -176.227330         0.000546
BFGS:   18 12:37:20     -176.227330         0.000035
BFGS:   19 12:37:20     -176.227330         0.000001
BFGS:   20 12:37:20     -176.227330         0.000000
BFGS:   21 12:37:20     -176.227330         0.000000
Minimization converged after 21 steps.
Maximum force component: 7.008122185737377e-11 eV/Angstrom
Maximum stress component: 1.6604466431892303e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.8471463  0.8471463  0.8471463 ]
 [0.6528537  0.1528537  0.3471463 ]
 [0.1528537  0.3471463  0.6528537 ]
 [0.3471463  0.6528537  0.1528537 ]
 [0.15344723 0.15344723 0.15344723]
 [0.34655277 0.84655277 0.65344723]
 [0.84655277 0.65344723 0.34655277]
 [0.65344723 0.34655277 0.84655277]]
cellpar =  Cell([4.566623699318596, 4.566623699318596, 4.566623699318596])
forces =  [[ 1.88824717e-11  1.88824717e-11  1.88824717e-11]
 [-1.88824717e-11 -1.88824717e-11  1.88824717e-11]
 [-1.88824717e-11  1.88824717e-11 -1.88824717e-11]
 [ 1.88824717e-11 -1.88824717e-11 -1.88824717e-11]
 [-7.00812219e-11 -7.00812219e-11 -7.00812219e-11]
 [ 7.00812219e-11  7.00812219e-11 -7.00812219e-11]
 [ 7.00812219e-11 -7.00812219e-11  7.00812219e-11]
 [-7.00812219e-11  7.00812219e-11  7.00812219e-11]]
stress =  [1.66044664e-11 1.66044664e-11 1.66044664e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -22.02841623262316
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0