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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 20:21:59      -41.391504        2.6291
BFGS:    1 20:21:59      -41.680778        2.5060
BFGS:    2 20:21:59      -42.044592        2.3455
BFGS:    3 20:21:59      -42.384605        2.1886
BFGS:    4 20:21:59      -42.701317        2.0347
BFGS:    5 20:21:59      -42.995146        1.8834
BFGS:    6 20:21:59      -43.266405        1.7336
BFGS:    7 20:21:59      -43.515272        1.5846
BFGS:    8 20:21:59      -43.741799        1.4357
BFGS:    9 20:21:59      -43.945999        1.2871
BFGS:   10 20:21:59      -44.128068        1.1412
BFGS:   11 20:21:59      -44.288748        1.0029
BFGS:   12 20:21:59      -44.429593        0.8775
BFGS:   13 20:21:59      -44.552747        0.7668
BFGS:   14 20:21:59      -44.660144        0.6662
BFGS:   15 20:21:59      -44.752690        0.5673
BFGS:   16 20:21:59      -44.830047        0.4626
BFGS:   17 20:21:59      -44.890926        0.3470
BFGS:   18 20:21:59      -44.933467        0.2178
BFGS:   19 20:21:59      -44.955538        0.0742
BFGS:   20 20:21:59      -44.958235        0.0050
BFGS:   21 20:21:59      -44.958247        0.0001
BFGS:   22 20:21:59      -44.958247        0.0000
BFGS:   23 20:21:59      -44.958247        0.0000
Minimization converged after 23 steps.
Maximum force component: 1.147366667496757e-30 eV/Angstrom
Maximum stress component: 4.853052156505008e-14 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]
 [9.51405423e-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([[6.387564342277684, 6.871810594139068e-32, -2.951201677007368e-32], [7.079389147952251e-32, 6.387564342277684, -2.3317511899255707e-17], [5.2770165968514545e-34, -2.3317511899255748e-17, 6.387564342277684]])
forces =  [[ 9.71858114e-32 -9.51354778e-31  6.03618204e-31]
 [-2.69003765e-31  8.34895831e-31  2.62442697e-32]
 [ 1.18099214e-31 -9.31671576e-31 -4.53533786e-31]
 [-2.91147367e-31  9.18549441e-31 -2.26766893e-31]
 [ 1.58080718e-31 -7.77486491e-31 -9.84160115e-32]
 [-2.62442697e-31  9.04197106e-31 -5.18324327e-31]
 [-2.42759495e-31  1.14736667e-30  5.57690732e-31]
 [ 8.52938766e-32 -8.59499834e-31  6.10179271e-31]
 [ 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 =  [ 4.85305216e-14  4.85305216e-14  4.85305216e-14  4.46694323e-30
 -1.66154678e-33 -2.04313884e-50]
energy per atom =  -3.7465206089389618
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0