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:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002
==== 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 16:14:25      -28.578725         0.756748
BFGS:    1 16:14:25      -28.617560         0.711960
BFGS:    2 16:14:25      -28.769302         0.471189
BFGS:    3 16:14:25      -28.840302         0.122204
BFGS:    4 16:14:25      -28.841070         0.069187
BFGS:    5 16:14:25      -28.841191         0.070583
BFGS:    6 16:14:25      -28.841619         0.056030
BFGS:    7 16:14:25      -28.841829         0.032480
BFGS:    8 16:14:25      -28.841945         0.036092
BFGS:    9 16:14:25      -28.842024         0.040493
BFGS:   10 16:14:25      -28.842172         0.040970
BFGS:   11 16:14:25      -28.842376         0.032140
BFGS:   12 16:14:25      -28.842549         0.016648
BFGS:   13 16:14:25      -28.842606         0.005401
BFGS:   14 16:14:25      -28.842612         0.000606
BFGS:   15 16:14:25      -28.842612         0.000079
BFGS:   16 16:14:25      -28.842612         0.000005
BFGS:   17 16:14:25      -28.842612         0.000000
BFGS:   18 16:14:25      -28.842612         0.000000
BFGS:   19 16:14:25      -28.842612         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.502262619856866e-09 eV/Angstrom
Maximum stress component: 7.061362608000967e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Ti', 'Ti']
basis =  [[0.00000000e+00 1.41375905e-33 6.71570174e-01]
 [1.76112564e-34 0.00000000e+00 3.28429826e-01]
 [5.00000000e-01 5.00000000e-01 1.71570174e-01]
 [5.00000000e-01 5.00000000e-01 8.28429826e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[3.2694622549798833, 1.344795889026753e-36, 5.189262335021099e-32], [1.6399544316753482e-36, 3.269462254979883, 4.5944032264167324e-18], [-1.131034771979347e-32, 1.2048867486748915e-17, 8.482721673140482]])
forces =  [[ 2.01496168e-32 -2.13377523e-27 -1.50226262e-09]
 [ 2.01496168e-32  2.13381805e-27  1.50226262e-09]
 [ 4.02992337e-32 -2.13378530e-27 -1.50226262e-09]
 [ 4.02992337e-32  2.13380545e-27  1.50226262e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.89027286e-11 -6.89027286e-11 -7.06136261e-11 -9.07235209e-26
 -3.47215367e-35 -4.22981061e-50]
energy per atom =  -4.807102069321842
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0