element(s):
['Pd', 'Ti']
AFLOW prototype label:
A3B_hP16_194_gh_ac
Parameter names:
['a', 'c/a', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5558', '1.6459196', '0.83327078']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Pd', 'Ti', 'Ti']
representative atom coordinates =  [[0.5        0.         0.        ]
 [0.83327078 0.66654156 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.5558, 0, 0], [-2.7779, 4.8114639383456, 0], [0, 0, 9.1444]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:49      -67.263471         0.458707
BFGS:    1 15:55:49      -67.273002         0.440839
BFGS:    2 15:55:49      -67.327771         0.307637
BFGS:    3 15:55:49      -67.356937         0.178519
BFGS:    4 15:55:49      -67.367345         0.190462
BFGS:    5 15:55:49      -67.371347         0.163047
BFGS:    6 15:55:49      -67.376772         0.065490
BFGS:    7 15:55:49      -67.377879         0.030893
BFGS:    8 15:55:49      -67.377996         0.020798
BFGS:    9 15:55:49      -67.378006         0.018280
BFGS:   10 15:55:49      -67.378027         0.014610
BFGS:   11 15:55:50      -67.378071         0.013973
BFGS:   12 15:55:50      -67.378155         0.015202
BFGS:   13 15:55:50      -67.378257         0.011752
BFGS:   14 15:55:50      -67.378317         0.005014
BFGS:   15 15:55:50      -67.378330         0.001515
BFGS:   16 15:55:50      -67.378331         0.000150
BFGS:   17 15:55:50      -67.378331         0.000010
BFGS:   18 15:55:50      -67.378331         0.000000
BFGS:   19 15:55:51      -67.378331         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.4131626336480338e-09 eV/Angstrom
Maximum stress component: 6.374247850339539e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [1.00000000e+00 5.00000000e-01 9.05861421e-54]
 [5.00000000e-01 5.00000000e-01 3.62344568e-53]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.32421935e-01 6.64843870e-01 2.50000000e-01]
 [3.35156130e-01 1.67578065e-01 2.50000000e-01]
 [8.32421935e-01 1.67578065e-01 2.50000000e-01]
 [1.67578065e-01 3.35156130e-01 7.50000000e-01]
 [6.64843870e-01 8.32421935e-01 7.50000000e-01]
 [1.67578065e-01 8.32421935e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.6198164637171715, -9.954761106048705e-18, 1.2865856752303174e-36], [-2.8099082318585857, 4.866903822185099, -4.482469430525147e-37], [1.4864347287912027e-36, -7.5208979710910706e-37, 9.220383524450494]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.50673164e-25 -1.41316263e-09 -2.36770836e-32]
 [ 1.22383474e-09  7.06581317e-10  1.42062502e-32]
 [-1.22383474e-09  7.06581317e-10 -1.18385418e-31]
 [-1.50673164e-25  1.41316263e-09  5.66338642e-47]
 [-1.22383474e-09 -7.06581317e-10 -3.08498368e-46]
 [ 1.22383474e-09 -7.06581317e-10  2.51864504e-46]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.88623275e-33 -9.99820353e-33  4.65402675e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.23436570e-10  3.23436570e-10  6.37424785e-10  4.57791220e-34
 -3.17167061e-34  6.95220790e-26]
energy per atom =  -4.211145658942094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0