element(s):
['Pd', 'Ti']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9598', '1.2786337']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.9598, 0, 0], [0, 2.9598, 0], [0, 0, 3.7845]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:59       -8.918129         0.149705
BFGS:    1 14:56:59       -8.918446         0.126164
BFGS:    2 14:56:59       -8.919211         0.066622
BFGS:    3 14:56:59       -8.919476         0.089268
BFGS:    4 14:56:59       -8.920488         0.148021
BFGS:    5 14:56:59       -8.922313         0.207009
BFGS:    6 14:56:59       -8.924703         0.214062
BFGS:    7 14:56:59       -8.926753         0.135732
BFGS:    8 14:56:59       -8.928325         0.016218
BFGS:    9 14:56:59       -8.928348         0.000516
BFGS:   10 14:56:59       -8.928348         0.000071
BFGS:   11 14:56:59       -8.928348         0.000002
BFGS:   12 14:56:59       -8.928348         0.000000
BFGS:   13 14:56:59       -8.928348         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.569897431671868e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8732616517536416, -2.024065142998829e-35, -3.009485673848311e-33], [9.172355025367054e-36, 2.8732616517536416, -2.443342907251184e-17], [8.315911128699292e-33, -3.417730509135111e-17, 4.028662321568241]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.68730811e-12 -1.68730811e-12  3.56989743e-12  1.21876617e-27
  1.79698399e-44  4.38023811e-60]
energy per atom =  -4.464174154009416
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0