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 19:03:54      -28.578725        0.7567
BFGS:    1 19:03:54      -28.617560        0.7120
BFGS:    2 19:03:54      -28.769302        0.4712
BFGS:    3 19:03:54      -28.840302        0.1222
BFGS:    4 19:03:54      -28.841070        0.0692
BFGS:    5 19:03:54      -28.841191        0.0706
BFGS:    6 19:03:54      -28.841619        0.0560
BFGS:    7 19:03:54      -28.841829        0.0325
BFGS:    8 19:03:54      -28.841945        0.0361
BFGS:    9 19:03:54      -28.842024        0.0405
BFGS:   10 19:03:54      -28.842172        0.0410
BFGS:   11 19:03:54      -28.842376        0.0321
BFGS:   12 19:03:54      -28.842549        0.0166
BFGS:   13 19:03:54      -28.842606        0.0054
BFGS:   14 19:03:54      -28.842612        0.0006
BFGS:   15 19:03:54      -28.842612        0.0001
BFGS:   16 19:03:54      -28.842612        0.0000
BFGS:   17 19:03:54      -28.842612        0.0000
BFGS:   18 19:03:54      -28.842612        0.0000
BFGS:   19 19:03:54      -28.842612        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.5022619623966669e-09 eV/Angstrom
Maximum stress component: 7.061155929739974e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 6.71570174e-01]
 [2.28751196e-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, 3.3943690295975053e-38, -1.2245576953708583e-32], [-6.805340220339775e-39, 3.2694622549798833, 4.84150406999423e-18], [-8.85817464197932e-34, 1.2608440571442911e-17, 8.482721673140492]])
forces =  [[ 1.88902658e-33 -2.23290810e-27 -1.50226196e-09]
 [ 1.76309147e-32  2.23290306e-27  1.50226196e-09]
 [ 5.03740421e-33 -2.23291314e-27 -1.50226196e-09]
 [ 8.02836295e-33  2.23291314e-27  1.50226196e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.89014271e-11 -6.89014271e-11 -7.06115593e-11  7.07609221e-26
  1.11108919e-34 -1.28020062e-49]
energy per atom =  -4.807102069321844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0