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 09:17:44     -353.092686       21.1141
BFGS:    1 09:17:44     -356.253836       20.7031
BFGS:    2 09:17:44     -359.268138       20.2706
BFGS:    3 09:17:44     -362.223828       19.7585
BFGS:    4 09:17:44     -365.109150       19.1923
BFGS:    5 09:17:44     -367.915771       18.5741
BFGS:    6 09:17:44     -370.628670       17.8936
BFGS:    7 09:17:44     -373.236712       17.1649
BFGS:    8 09:17:44     -375.717542       16.3553
BFGS:    9 09:17:44     -378.063329       15.4843
BFGS:   10 09:17:44     -380.251457       14.5292
BFGS:   11 09:17:44     -382.271003       13.4922
BFGS:   12 09:17:44     -384.109572       12.3810
BFGS:   13 09:17:44     -385.760415       11.1889
BFGS:   14 09:17:44     -387.221280        9.9078
BFGS:   15 09:17:44     -388.488964        8.5342
BFGS:   16 09:17:44     -389.560139        7.0775
BFGS:   17 09:17:44     -390.430129        5.4966
BFGS:   18 09:17:44     -391.092498        3.8047
BFGS:   19 09:17:44     -391.539555        1.9452
BFGS:   20 09:17:44     -391.743490        1.6489
BFGS:   21 09:17:44     -391.780613        2.1207
BFGS:   22 09:17:44     -391.878231        1.1396
BFGS:   23 09:17:44     -392.126792        1.8455
BFGS:   24 09:17:44     -392.359657        3.7248
BFGS:   25 09:17:44     -392.572494        5.4455
BFGS:   26 09:17:45     -392.742705        6.7765
BFGS:   27 09:17:45     -392.919385        6.6624
BFGS:   28 09:17:45     -393.182946        4.3757
BFGS:   29 09:17:45     -393.415055        2.2531
BFGS:   30 09:17:45     -393.531325        0.5733
BFGS:   31 09:17:45     -393.535883        0.1661
BFGS:   32 09:17:45     -393.538169        0.1905
BFGS:   33 09:17:45     -393.539800        0.0984
BFGS:   34 09:17:45     -393.541080        0.0325
BFGS:   35 09:17:45     -393.541241        0.0091
BFGS:   36 09:17:45     -393.541255        0.0010
BFGS:   37 09:17:45     -393.541255        0.0006
BFGS:   38 09:17:45     -393.541255        0.0004
BFGS:   39 09:17:45     -393.541255        0.0001
BFGS:   40 09:17:45     -393.541255        0.0001
BFGS:   41 09:17:45     -393.541255        0.0000
BFGS:   42 09:17:45     -393.541255        0.0000
BFGS:   43 09:17:45     -393.541255        0.0000
BFGS:   44 09:17:45     -393.541255        0.0000
BFGS:   45 09:17:45     -393.541255        0.0000
BFGS:   46 09:17:45     -393.541255        0.0000
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.