element(s):
['Al', 'Pt']
AFLOW prototype label:
AB3_tP16_127_f_egh
Parameter names:
['a', 'c/a', 'z1', 'z2', 'x3', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4728', '1.4433928', '0.25312095', '0.23998573', '0.22569591', '0.30865809']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt', 'Pt', 'Pt']
representative atom coordinates =  [[0.         0.5        0.23998573]
 [0.         0.         0.25312095]
 [0.22569591 0.72569591 0.        ]
 [0.30865809 0.80865809 0.5       ]]
spacegroup =  127
cell =  [[5.4728, 0, 0], [0, 5.4728, 0], [0, 0, 7.8994]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:52:59     -353.092686        21.114091
BFGS:    1 15:52:59     -356.253836        20.703083
BFGS:    2 15:52:59     -359.268138        20.270625
BFGS:    3 15:52:59     -362.223828        19.758546
BFGS:    4 15:52:59     -365.109150        19.192268
BFGS:    5 15:52:59     -367.915771        18.574109
BFGS:    6 15:52:59     -370.628670        17.893585
BFGS:    7 15:52:59     -373.236712        17.164920
BFGS:    8 15:52:59     -375.717542        16.355303
BFGS:    9 15:52:59     -378.063329        15.484262
BFGS:   10 15:52:59     -380.251457        14.529222
BFGS:   11 15:52:59     -382.271003        13.492215
BFGS:   12 15:52:59     -384.109572        12.381044
BFGS:   13 15:52:59     -385.760415        11.188915
BFGS:   14 15:53:00     -387.221280         9.907828
BFGS:   15 15:53:00     -388.488964         8.534239
BFGS:   16 15:53:00     -389.560139         7.077495
BFGS:   17 15:53:00     -390.430129         5.496609
BFGS:   18 15:53:00     -391.092498         3.804726
BFGS:   19 15:53:00     -391.539555         1.945154
BFGS:   20 15:53:00     -391.743490         1.648892
BFGS:   21 15:53:00     -391.780613         2.120665
BFGS:   22 15:53:00     -391.878231         1.139552
BFGS:   23 15:53:00     -392.126792         1.845494
BFGS:   24 15:53:00     -392.359657         3.724775
BFGS:   25 15:53:00     -392.572494         5.445473
BFGS:   26 15:53:00     -392.742705         6.776476
BFGS:   27 15:53:00     -392.919385         6.662359
BFGS:   28 15:53:00     -393.182946         4.375740
BFGS:   29 15:53:00     -393.415055         2.253069
BFGS:   30 15:53:00     -393.531325         0.573268
BFGS:   31 15:53:00     -393.535883         0.166137
BFGS:   32 15:53:00     -393.538169         0.190530
BFGS:   33 15:53:00     -393.539800         0.098363
BFGS:   34 15:53:00     -393.541080         0.032502
BFGS:   35 15:53:00     -393.541241         0.009112
BFGS:   36 15:53:00     -393.541255         0.000963
BFGS:   37 15:53:00     -393.541255         0.000599
BFGS:   38 15:53:00     -393.541255         0.000366
BFGS:   39 15:53:00     -393.541255         0.000137
BFGS:   40 15:53:00     -393.541255         0.000051
BFGS:   41 15:53:00     -393.541255         0.000011
BFGS:   42 15:53:00     -393.541255         0.000003
BFGS:   43 15:53:01     -393.541255         0.000000
BFGS:   44 15:53:01     -393.541255         0.000000
BFGS:   45 15:53:01     -393.541255         0.000000
BFGS:   46 15:53:01     -393.541255         0.000000
Minimization converged after 46 steps.
Maximum force component: 2.6855080670430184e-09 eV/Angstrom
Maximum stress component: 5.2435724268649544e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[1.76283863e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.43116483e-35 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 0.00000000e+00]
 [7.50000000e-01 2.50000000e-01 5.25462704e-35]
 [2.50000000e-01 2.50000000e-01 1.05092541e-34]
 [7.50000000e-01 7.50000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 5.00000000e-01]
 [7.50000000e-01 7.50000000e-01 5.00000000e-01]]
cellpar =  Cell([[5.183386423423924, -7.888765452096136e-35, 2.326721685351813e-31], [-5.403395521659663e-35, 5.183386423423922, -6.424047241637635e-18], [4.1537084082823804e-32, -8.574046891977023e-18, 7.330415378973508]])
forces =  [[-1.02224273e-30 -7.55255755e-28  6.45271916e-10]
 [ 3.65637041e-42 -7.54169622e-28  6.45271916e-10]
 [-1.02224273e-30  7.55199851e-28 -6.45271916e-10]
 [-3.65637041e-42  7.54233512e-28 -6.45271916e-10]
 [ 1.02224273e-30 -3.14111424e-27  2.68550807e-09]
 [ 1.02224273e-30  3.14111424e-27 -2.68550807e-09]
 [ 1.02224273e-30  3.14213648e-27 -2.68550807e-09]
 [ 1.53336409e-30 -3.14213648e-27  2.68550807e-09]
 [-5.91696438e-10 -5.91696438e-10  7.33320953e-28]
 [ 5.91696438e-10  5.91696438e-10 -7.33320953e-28]
 [ 5.91696438e-10 -5.91696438e-10  7.33320953e-28]
 [-5.91696438e-10  5.91696438e-10 -7.33320953e-28]
 [-4.83301140e-10 -4.83301140e-10  5.98980879e-28]
 [ 4.83301140e-10  4.83301140e-10 -5.98980879e-28]
 [ 4.83301140e-10 -4.83301140e-10  5.98980879e-28]
 [-4.83301140e-10  4.83301140e-10 -5.98980879e-28]]
stress =  [ 1.84716240e-11  1.84716240e-11 -5.24357243e-11 -3.45310485e-26
 -6.98911465e-43 -4.52220565e-58]
energy per atom =  -24.596328450189336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP16_127_f_egh, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.