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:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001
==== 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 12:07:56      -10.123900         1.252725
BFGS:    1 12:07:56      -10.161376         0.970386
BFGS:    2 12:07:56      -10.200946         0.209864
BFGS:    3 12:07:56      -10.202199         0.168716
BFGS:    4 12:07:56      -10.204262         0.226816
BFGS:    5 12:07:56      -10.209372         0.264848
BFGS:    6 12:07:56      -10.214027         0.207982
BFGS:    7 12:07:56      -10.221047         0.164194
BFGS:    8 12:07:56      -10.232003         0.170094
BFGS:    9 12:07:56      -10.242320         0.095734
BFGS:   10 12:07:56      -10.247021         0.027185
BFGS:   11 12:07:56      -10.247197         0.008372
BFGS:   12 12:07:56      -10.247200         0.001116
BFGS:   13 12:07:56      -10.247200         0.000001
BFGS:   14 12:07:56      -10.247200         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8143552197387476e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1484064813862203, -2.2163780742752833e-36, 9.993138887947209e-33], [1.2359803563502662e-35, 3.1484064813862203, 1.485224983106667e-17], [-1.27315219525858e-32, 2.5764380835443957e-17, 3.1484064816392854]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.81435522e-11 -1.81435522e-11 -4.55552513e-12 -2.05495953e-27
 -1.55435021e-34 -2.78207169e-52]
energy per atom =  -5.123600000062034
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_tP2_123_a_d, while relaxed is AB_cP2_221_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.