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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 16:57:08      -80.637760         0.887123
BFGS:    1 16:57:08      -80.720590         0.830866
BFGS:    2 16:57:08      -80.996873         0.642493
BFGS:    3 16:57:08      -81.200861         0.498981
BFGS:    4 16:57:08      -81.343435         0.394478
BFGS:    5 16:57:09      -81.436526         0.321719
BFGS:    6 16:57:09      -81.494061         0.393003
BFGS:    7 16:57:09      -81.531682         0.528860
BFGS:    8 16:57:09      -81.563306         0.609906
BFGS:    9 16:57:09      -81.598804         0.622392
BFGS:   10 16:57:09      -81.648082         0.526820
BFGS:   11 16:57:10      -81.693654         0.378775
BFGS:   12 16:57:10      -81.720693         0.226320
BFGS:   13 16:57:10      -81.726499         0.159295
BFGS:   14 16:57:10      -81.729962         0.140618
BFGS:   15 16:57:10      -81.740588         0.131740
BFGS:   16 16:57:10      -81.743710         0.118605
BFGS:   17 16:57:11      -81.744898         0.091472
BFGS:   18 16:57:11      -81.745594         0.083709
BFGS:   19 16:57:11      -81.747471         0.105828
BFGS:   20 16:57:11      -81.750053         0.117553
BFGS:   21 16:57:11      -81.752923         0.107116
BFGS:   22 16:57:11      -81.754795         0.088599
BFGS:   23 16:57:11      -81.756032         0.072777
BFGS:   24 16:57:11      -81.757359         0.058742
BFGS:   25 16:57:11      -81.758864         0.055586
BFGS:   26 16:57:11      -81.759939         0.045186
BFGS:   27 16:57:11      -81.760465         0.045520
BFGS:   28 16:57:11      -81.760838         0.040540
BFGS:   29 16:57:11      -81.761353         0.040116
BFGS:   30 16:57:11      -81.761883         0.027128
BFGS:   31 16:57:11      -81.762150         0.009874
BFGS:   32 16:57:11      -81.762199         0.002184
BFGS:   33 16:57:12      -81.762201         0.000315
BFGS:   34 16:57:12      -81.762201         0.000017
BFGS:   35 16:57:12      -81.762201         0.000001
BFGS:   36 16:57:12      -81.762201         0.000000
BFGS:   37 16:57:12      -81.762201         0.000000
BFGS:   38 16:57:12      -81.762201         0.000000
Minimization converged after 38 steps.
Maximum force component: 3.5064491990434555e-10 eV/Angstrom
Maximum stress component: 8.132800757666564e-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 =  [[0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [5.00000000e-01 1.11289494e-32 7.50000000e-01]
 [3.01670268e-33 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 7.79026460e-33 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50000000e-01]
 [1.06090984e-33 1.33547393e-32 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 0.00000000e+00]
 [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([[5.537787605746679, 1.327735080807731e-35, -1.1018055226888191e-31], [1.7382987934551129e-35, 5.537787605746681, -5.233782646745565e-17], [-2.0640118228276366e-32, -7.73815419941322e-17, 7.8316143368400635]])
forces =  [[-5.38849724e-43 -2.02012475e-27  2.04459256e-10]
 [-5.38849724e-43 -2.02015888e-27  2.04459256e-10]
 [ 5.38849724e-43  2.02015888e-27 -2.04459256e-10]
 [ 5.38849724e-43  2.02012475e-27 -2.04459256e-10]
 [ 3.41292511e-32 -3.46453603e-27  3.50644920e-10]
 [ 6.82585022e-32  3.46451470e-27 -3.50644920e-10]
 [-3.41292511e-32  3.46453603e-27 -3.50644920e-10]
 [-9.24120148e-43 -3.46455309e-27  3.50644920e-10]
 [ 3.40544316e-10  3.40544316e-10 -3.21849637e-27]
 [-3.40544316e-10 -3.40544316e-10  3.21849637e-27]
 [-3.40544316e-10  3.40544316e-10 -3.21849637e-27]
 [ 3.40544316e-10 -3.40544316e-10  3.21849637e-27]
 [ 2.37796565e-10  2.37796565e-10 -2.24742375e-27]
 [-2.37796565e-10 -2.37796565e-10  2.24742375e-27]
 [-2.37796565e-10  2.37796565e-10 -2.24744788e-27]
 [ 2.37796565e-10 -2.37796565e-10  2.24747201e-27]]
stress =  [8.13280076e-11 8.13280076e-11 2.59319102e-11 2.38614062e-26
 7.76524960e-44 4.25775181e-59]
energy per atom =  -5.11013757548647
===============================================
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.