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 11:45:21     -353.092686        21.114091
BFGS:    1 11:45:21     -356.253836        20.703083
BFGS:    2 11:45:21     -359.268138        20.270625
BFGS:    3 11:45:21     -362.223828        19.758546
BFGS:    4 11:45:21     -365.109150        19.192268
BFGS:    5 11:45:21     -367.915771        18.574109
BFGS:    6 11:45:21     -370.628670        17.893585
BFGS:    7 11:45:21     -373.236712        17.164920
BFGS:    8 11:45:21     -375.717542        16.355303
BFGS:    9 11:45:21     -378.063329        15.484262
BFGS:   10 11:45:21     -380.251457        14.529222
BFGS:   11 11:45:21     -382.271003        13.492215
BFGS:   12 11:45:21     -384.109572        12.381044
BFGS:   13 11:45:21     -385.760415        11.188915
BFGS:   14 11:45:21     -387.221280         9.907828
BFGS:   15 11:45:21     -388.488964         8.534239
BFGS:   16 11:45:21     -389.560139         7.077495
BFGS:   17 11:45:21     -390.430129         5.496609
BFGS:   18 11:45:21     -391.092498         3.804726
BFGS:   19 11:45:21     -391.539555         1.945154
BFGS:   20 11:45:21     -391.743490         1.648892
BFGS:   21 11:45:21     -391.780613         2.120665
BFGS:   22 11:45:21     -391.878231         1.139552
BFGS:   23 11:45:21     -392.126792         1.845494
BFGS:   24 11:45:21     -392.359657         3.724775
BFGS:   25 11:45:21     -392.572494         5.445473
BFGS:   26 11:45:21     -392.742705         6.776476
BFGS:   27 11:45:21     -392.919385         6.662359
BFGS:   28 11:45:21     -393.182946         4.375740
BFGS:   29 11:45:21     -393.415055         2.253069
BFGS:   30 11:45:21     -393.531325         0.573268
BFGS:   31 11:45:21     -393.535883         0.166137
BFGS:   32 11:45:21     -393.538169         0.190530
BFGS:   33 11:45:21     -393.539800         0.098363
BFGS:   34 11:45:21     -393.541080         0.032502
BFGS:   35 11:45:21     -393.541241         0.009112
BFGS:   36 11:45:21     -393.541255         0.000963
BFGS:   37 11:45:21     -393.541255         0.000599
BFGS:   38 11:45:21     -393.541255         0.000366
BFGS:   39 11:45:21     -393.541255         0.000137
BFGS:   40 11:45:21     -393.541255         0.000051
BFGS:   41 11:45:21     -393.541255         0.000011
BFGS:   42 11:45:21     -393.541255         0.000003
BFGS:   43 11:45:21     -393.541255         0.000000
BFGS:   44 11:45:21     -393.541255         0.000000
BFGS:   45 11:45:21     -393.541255         0.000000
BFGS:   46 11:45:21     -393.541255         0.000000
Minimization converged after 46 steps.
Maximum force component: 2.6851056559673656e-09 eV/Angstrom
Maximum stress component: 5.2425739513956695e-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 =  [[1.10093301e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.97246593e-34 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [3.58204409e-33 3.71558241e-33 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 0.00000000e+00]
 [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([[5.183386423423922, -6.009934198188032e-36, -4.2410989993127377e-32], [-6.86356213766741e-36, 5.183386423423923, 1.462622541584761e-17], [1.0983605697659295e-34, 2.0472289851743096e-17, 7.330415378973512]])
forces =  [[ 2.55560682e-31  1.80173818e-27  6.45139812e-10]
 [ 9.66652086e-45  1.80173818e-27  6.45139812e-10]
 [-9.66652086e-45 -1.80173818e-27 -6.45139812e-10]
 [-2.55560682e-31 -1.80173818e-27 -6.45139812e-10]
 [-6.13345636e-30  7.49892856e-27  2.68510566e-09]
 [ 2.04448545e-30 -7.50097305e-27 -2.68510566e-09]
 [ 2.04448545e-30 -7.50301753e-27 -2.68510566e-09]
 [ 2.04448545e-30  7.50301753e-27  2.68510566e-09]
 [-5.91691568e-10 -5.91691568e-10 -1.66960623e-27]
 [ 5.91691568e-10  5.91691568e-10  1.66960623e-27]
 [ 5.91691568e-10 -5.91691568e-10 -1.66960623e-27]
 [-5.91691568e-10  5.91691568e-10  1.66960623e-27]
 [-4.83292265e-10 -4.83292265e-10 -1.36373040e-27]
 [ 4.83292265e-10  4.83292265e-10  1.36373040e-27]
 [ 4.83292265e-10 -4.83292265e-10 -1.36373040e-27]
 [-4.83292265e-10  4.83292265e-10  1.36373040e-27]]
stress =  [ 1.84770388e-11  1.84770388e-11 -5.24257395e-11  7.77942046e-27
 -3.04123209e-34  5.35432210e-50]
energy per atom =  -24.59632845018933
===============================================
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.