element(s):
['Pd', 'Ti']
AFLOW prototype label:
A2B_tI6_139_e_a
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2897', '2.6349211', '0.65869121']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.         0.         0.65869121]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[3.2897, 0, 0], [0, 3.2897, 0], [0, 0, 8.6681]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:52:53      -25.412968         1.152698
BFGS:    1 14:52:53      -25.498944         0.915213
BFGS:    2 14:52:53      -25.653943         0.390321
BFGS:    3 14:52:53      -25.677052         0.274254
BFGS:    4 14:52:53      -25.678744         0.241422
BFGS:    5 14:52:53      -25.681221         0.182947
BFGS:    6 14:52:53      -25.684217         0.104122
BFGS:    7 14:52:53      -25.686548         0.146193
BFGS:    8 14:52:53      -25.688031         0.153087
BFGS:    9 14:52:53      -25.689508         0.142105
BFGS:   10 14:52:53      -25.692458         0.125261
BFGS:   11 14:52:53      -25.697972         0.170587
BFGS:   12 14:52:53      -25.703443         0.177111
BFGS:   13 14:52:53      -25.708771         0.160670
BFGS:   14 14:52:54      -25.713471         0.130313
BFGS:   15 14:52:54      -25.717119         0.092344
BFGS:   16 14:52:54      -25.719505         0.051475
BFGS:   17 14:52:54      -25.720646         0.011956
BFGS:   18 14:52:54      -25.720832         0.006761
BFGS:   19 14:52:54      -25.720846         0.005477
BFGS:   20 14:52:54      -25.720855         0.000973
BFGS:   21 14:52:54      -25.720856         0.000256
BFGS:   22 14:52:54      -25.720856         0.000031
BFGS:   23 14:52:54      -25.720856         0.000004
BFGS:   24 14:52:54      -25.720856         0.000000
BFGS:   25 14:52:54      -25.720856         0.000000
BFGS:   26 14:52:54      -25.720856         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.04529516278868e-09 eV/Angstrom
Maximum stress component: 1.4895439114536286e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Ti', 'Ti']
basis =  [[2.48228933e-34 1.15370493e-32 6.69856529e-01]
 [1.29677010e-33 5.76852463e-33 3.30143471e-01]
 [5.00000000e-01 5.00000000e-01 1.69856529e-01]
 [5.00000000e-01 5.00000000e-01 8.30143471e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.2051397304785767, -5.1467692482245696e-36, 5.114177578977766e-32], [-6.108789077504909e-36, 3.2051397304785763, 3.9541579326189955e-17], [7.285381957946094e-33, 1.1526981912980688e-16, 9.501306852556512]])
forces =  [[-1.48148990e-32 -1.26815170e-26 -1.04529516e-09]
 [-2.96297980e-32  1.26815170e-26  1.04529516e-09]
 [-1.97531987e-32 -1.26815170e-26 -1.04529516e-09]
 [-2.46914983e-32  1.26815170e-26  1.04529516e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.07564398e-12  2.07564398e-12 -1.48954391e-11  5.03614720e-27
 -2.02376533e-34  6.74049261e-50]
energy per atom =  -4.286809285536887
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0