element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7336', '0.62506338', '1.0172173', '0.69364212', '0.2051957']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.25       0.         0.69364212]
 [0.25       0.5        0.2051957 ]]
spacegroup =  51
cell =  [[4.7336, 0, 0], [0, 2.9588, 0], [0, 0, 4.8151]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:48:22      -17.827606         0.427591
BFGS:    1 14:48:23      -17.834831         0.358864
BFGS:    2 14:48:23      -17.850273         0.132503
BFGS:    3 14:48:23      -17.850887         0.126270
BFGS:    4 14:48:23      -17.860674         0.197403
BFGS:    5 14:48:23      -17.862013         0.180252
BFGS:    6 14:48:23      -17.870572         0.143862
BFGS:    7 14:48:23      -17.871091         0.149023
BFGS:    8 14:48:23      -17.871904         0.157554
BFGS:    9 14:48:23      -17.875084         0.166748
BFGS:   10 14:48:23      -17.879608         0.152969
BFGS:   11 14:48:23      -17.883402         0.156214
BFGS:   12 14:48:23      -17.885433         0.084294
BFGS:   13 14:48:23      -17.885897         0.040416
BFGS:   14 14:48:23      -17.885935         0.038210
BFGS:   15 14:48:23      -17.886197         0.015913
BFGS:   16 14:48:23      -17.886282         0.004319
BFGS:   17 14:48:23      -17.886297         0.000643
BFGS:   18 14:48:23      -17.886298         0.000157
BFGS:   19 14:48:23      -17.886298         0.000006
BFGS:   20 14:48:23      -17.886298         0.000002
BFGS:   21 14:48:23      -17.886298         0.000000
BFGS:   22 14:48:23      -17.886298         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.093946552545656e-10 eV/Angstrom
Maximum stress component: 4.8302469737884056e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Ti', 'Ti']
basis =  [[2.50000000e-01 0.00000000e+00 6.66459141e-01]
 [7.50000000e-01 7.75473623e-35 3.33540859e-01]
 [2.50000000e-01 5.00000000e-01 1.69803132e-01]
 [7.50000000e-01 5.00000000e-01 8.30196868e-01]]
cellpar =  Cell([[4.676838031176528, -6.13297838976106e-37, 0.0], [-3.437244772734763e-36, 2.8745389531295715, 0.0], [0.0, 0.0, 4.952315520203069]])
forces =  [[-1.15292959e-31  1.51189590e-68  3.55083979e-10]
 [ 1.15292959e-31 -1.51189590e-68 -3.55083979e-10]
 [-1.15292959e-31  1.51189590e-68 -7.09394655e-10]
 [ 1.15292959e-31 -8.85785703e-33  7.09394655e-10]]
stress =  [-4.83024697e-11  4.57987659e-13  3.51190978e-11  0.00000000e+00
  0.00000000e+00 -4.58426734e-34]
energy per atom =  -4.471574413774088
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0